NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6342 8.3049 118.3348 55.1336 33.2828 173.9213 2 K 4.4836 8.0475 115.0241 54.6229 35.9628 171.1476 3 V 4.6275 8.9277 120.7088 62.8283 34.0097 175.6031 4 R 4.0410 8.9881 123.3467 56.6047 27.6560 174.6500 5 A 4.1130 7.7714 120.8813 53.5093 19.2234 176.8659 6 S 4.2604 7.8600 109.6156 58.7169 62.3547 173.5203 7 V 4.0269 7.9961 125.7840 60.4586 33.5389 177.5889 8 K 3.4130 7.6361 118.5472 56.6330 33.3549 173.6745 9 K 4.5167 8.1420 116.4096 55.7795 34.0107 176.3160 10 L 4.5687 8.2592 118.6650 55.0869 43.6258 175.7901 11 C 4.7416 7.5227 112.2217 56.6598 32.1870 174.7726 12 R 4.0518 8.5182 116.0825 58.2554 29.3505 176.5773 13 N 4.7481 8.0657 117.1904 53.6500 38.9528 173.8761 14 C 4.8037 7.5640 114.0047 58.0961 29.8329 172.1754 15 K 4.1943 7.8081 118.0579 57.1952 33.7561 172.4084 16 I 3.4872 8.1563 128.1909 60.9407 36.3481 173.7023 17 V 4.3163 8.4925 117.5205 59.6458 35.8648 173.3693 18 K 4.1052 8.7076 125.3437 57.1066 32.2712 177.4848 19 R 4.5046 8.1504 130.5369 54.1926 29.6997 173.3301 20 D 4.8738 7.7598 119.2189 53.8665 37.3998 177.1394 21 G 4.0675 8.4142 113.9842 45.6702 0.0000 173.0712 22 V 3.8941 7.6572 113.1420 59.8545 31.0047 175.7311 23 I 3.8107 8.2290 126.5566 62.1091 36.9367 176.0864 24 R 4.7664 8.4157 126.2356 54.5828 32.6634 175.6414 25 V 4.7691 8.4665 120.1190 61.2419 34.3923 174.1671 26 I 4.7698 8.3968 127.6917 59.5837 39.9931 173.7638 27 C 5.1604 8.7618 126.8880 57.7556 33.3388 173.6100 28 S 4.4763 8.3902 117.8975 58.6084 63.3184 174.9982 29 A 4.1841 6.9333 123.7345 53.1918 18.9837 176.6857 30 E 4.7457 7.3737 114.9097 53.6547 32.3511 175.2033 31 P 4.4316 0.0000 0.0000 65.0127 32.0217 179.0380 32 K 3.9670 8.2262 117.2437 59.8533 31.9807 178.0479 33 H 4.2446 8.2755 113.8112 57.9898 28.7028 175.6999 34 K 4.4277 7.8051 122.4650 56.6660 33.1245 175.7161 35 Q 4.9219 8.6529 123.0638 55.0462 32.0186 173.3706 36 R 4.7292 9.4514 122.3409 54.7140 33.8614 172.4754 37 Q 3.2887 9.5914 127.0587 55.7032 29.6214 173.3387 38 G 4.1141 8.8044 108.5661 46.3237 0.0000 173.9342 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 4.63 0.00 2.04 2.32 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 2.47 2.53 0.00 2 K 8.05 4.48 0.00 1.64 1.68 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.34 1.63 7.81 3 V 8.93 4.63 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 0.91 0.00 0.00 0.93 0.00 0.00 4 R 8.99 4.04 0.00 1.84 2.33 0.00 3.20 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.54 0.00 5 A 7.77 4.11 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.86 4.26 0.00 3.83 3.84 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 7 V 8.00 4.03 2.21 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 0.84 0.00 0.00 0.93 0.00 0.00 8 K 7.64 3.41 0.00 1.96 1.88 0.00 1.55 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.32 1.39 7.81 9 K 8.14 4.52 0.00 2.02 1.85 0.00 1.42 0.00 0.00 1.71 0.00 0.00 3.32 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.35 1.51 7.81 10 L 8.26 4.57 0.00 1.36 1.56 0.77 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 11 C 7.52 4.74 0.00 3.09 3.10 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 0.00 0.00 0.00 0.00 12 R 8.52 4.05 0.00 1.94 2.11 0.00 3.02 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 13 N 8.07 4.75 0.00 2.76 2.77 0.00 0.00 7.14 7.65 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 14 C 7.56 4.80 0.00 3.01 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 K 7.81 4.19 0.00 1.65 1.89 0.00 1.82 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.41 7.81 16 I 8.16 3.49 1.87 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 1.42 0.54 0.91 0.00 0.00 17 V 8.49 4.32 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 18 K 8.71 4.11 0.00 1.71 1.76 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.74 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.42 1.43 7.81 19 R 8.15 4.50 0.00 1.78 1.82 0.00 3.27 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 20 D 7.76 4.87 0.00 2.78 2.80 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 0.00 0.00 0.00 21 G 8.41 4.07 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 0.00 0.00 0.00 22 V 7.66 3.89 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 0.75 0.00 0.00 0.93 0.00 0.00 23 I 8.23 3.81 1.87 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 1.34 0.47 0.91 0.00 0.00 24 R 8.42 4.77 0.00 1.76 1.83 0.00 3.06 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.87 0.00 25 V 8.47 4.77 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 0.99 0.00 0.00 0.93 0.00 0.00 26 I 8.40 4.77 1.87 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 1.23 1.06 0.91 0.00 0.00 27 C 8.76 5.16 0.00 2.97 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 28 S 8.39 4.48 0.00 4.06 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 29 A 6.93 4.18 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.37 4.75 0.00 1.70 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.19 0.00 31 P 0.00 4.43 0.00 2.18 2.09 0.00 3.60 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.09 0.00 32 K 8.23 3.97 0.00 1.84 1.93 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.50 7.81 33 H 8.28 4.24 0.00 3.11 3.38 0.00 5.73 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 7.81 4.43 0.00 1.81 1.81 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.60 7.81 35 Q 8.65 4.92 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.36 0.00 0.00 0.00 0.00 0.00 2.45 2.31 0.00 36 R 9.45 4.73 0.00 1.78 1.79 0.00 3.25 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 37 Q 9.59 3.29 0.00 2.21 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.38 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 38 G 8.80 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