NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4335 8.3044 118.1953 55.9048 33.4743 177.5288 2 K 4.4083 7.2564 119.7397 57.4171 33.2024 173.3021 3 L 4.9226 8.3176 117.9424 53.3060 46.4035 174.5492 4 S 4.6616 8.2175 115.2275 57.0334 66.9031 175.2091 5 E 4.0489 8.9495 124.9286 60.1959 30.1267 180.3347 6 V 3.7346 7.6870 111.8697 64.5326 31.9799 178.6462 7 R 3.9584 8.7084 118.7642 58.7096 29.9316 177.8052 8 K 4.7036 10.0218 114.1939 55.6392 34.5882 176.8070 9 Q 5.0840 8.3954 118.3394 57.8772 27.5278 178.8543 10 L 4.1676 9.1647 117.2908 56.8368 41.3532 176.7068 11 E 3.8664 7.6834 119.4682 57.6435 29.0881 176.4734 12 E 3.4911 8.6721 126.8093 59.9310 26.7077 174.9643 13 A 4.0390 8.9125 113.9158 52.0485 16.9339 176.8739 14 R 3.8216 7.7278 111.5820 57.9537 29.3124 176.7129 15 K 4.1989 7.7915 117.4023 57.0957 34.4830 175.3584 16 L 4.1348 8.7412 123.3620 56.7006 41.5130 176.8039 17 S 4.1424 7.9261 113.5693 61.3384 62.2317 174.3638 18 P 4.1756 0.0000 0.0000 66.6460 30.7143 177.9532 19 V 3.5423 8.0383 115.2156 67.0475 31.0133 177.3797 20 E 4.0893 8.2489 119.0754 58.7426 30.0784 178.9836 21 L 3.9709 7.9510 120.8675 57.6826 42.0711 178.6459 22 E 3.8595 8.0557 118.2859 59.4309 29.4539 178.6921 23 K 4.0186 7.3599 117.9882 59.5109 32.5398 177.7960 24 L 4.0948 7.6731 118.9413 58.1306 41.5227 179.7231 25 V 3.5351 7.5478 111.7366 64.6994 31.4193 178.3353 26 R 4.0738 8.0470 117.4043 58.3783 29.8032 178.1346 27 E 4.0381 8.1498 117.9348 59.0920 29.5932 178.9055 28 K 4.0991 7.9538 118.9554 58.7409 32.5257 178.8195 29 K 3.7930 7.8887 118.6428 60.1304 32.3632 178.7414 30 R 4.1633 8.1787 114.0256 56.9970 29.6479 177.1218 31 E 4.1381 8.6438 117.4843 58.6038 31.9452 178.2040 32 L 2.4400 8.4666 111.1625 57.1959 41.2200 181.7489 33 M 2.7889 8.6086 110.7157 56.8269 34.4659 176.0476 34 E 4.3269 8.5102 117.9531 55.6596 30.3528 178.4777 35 L 4.8861 8.6682 123.8492 56.2136 39.9101 178.4112 36 R 4.3392 8.5797 117.7220 57.8440 30.1038 176.4818 37 F 5.0796 8.3300 112.5987 55.2031 40.2973 174.7523 38 Q 4.0759 8.6292 120.7453 57.7875 30.1988 177.1667 39 A 4.3774 7.6270 121.2925 52.3591 15.9072 177.5516 40 S 4.2089 7.8787 119.6694 61.1995 63.9937 176.4014 41 I 3.7571 8.5744 120.4602 65.4164 36.7513 179.8744 42 G 3.7081 6.8173 106.2328 47.2380 0.0000 174.8545 43 Q 4.3804 7.8856 120.4437 55.6441 30.3928 177.5856 44 L 3.8882 7.3764 117.6345 56.9522 41.8247 176.5407 45 S 4.8551 8.4033 111.9201 56.1889 66.6999 172.1751 46 Q 4.8716 8.5658 119.5611 54.2215 26.2707 176.5733 47 N 5.0744 9.1228 128.0164 55.3554 37.0627 175.7800 48 H 4.1726 8.2099 116.7606 58.7200 29.1472 175.7245 49 K 4.4295 8.1045 116.9136 57.5235 34.8920 175.8687 50 I 3.9655 7.5586 121.0283 63.3495 36.9850 175.4507 51 R 4.3350 7.9644 123.2389 56.9620 28.0128 176.8013 52 D 4.4120 8.0261 117.0936 56.1333 40.9488 175.9335 53 L 4.3408 7.3743 120.8429 54.2031 43.4511 173.9887 54 K 4.1943 9.8386 127.5286 53.7887 28.0960 175.3290 55 R 4.1937 9.3596 117.7970 55.7224 29.7092 176.2663 56 Q 4.4742 7.9525 114.7965 55.9321 33.9765 174.1867 57 I 3.2908 8.3153 117.6265 62.0327 37.0374 172.6450 58 A 3.3920 7.7576 115.3206 55.3659 15.6010 178.9407 59 R 3.5328 8.6068 116.0328 57.2253 29.0443 176.7983 60 L 4.1132 9.4897 126.6745 55.7606 42.7114 174.3659 61 L 4.4407 7.4999 111.8881 55.5505 46.2638 174.9577 62 T 3.5254 7.5618 121.1101 63.8819 69.3932 171.3422 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 4.43 0.00 2.14 2.27 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 2.48 0.00 2 K 7.26 4.41 0.00 1.84 1.83 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.42 1.49 7.81 3 L 8.32 4.92 0.00 1.59 1.49 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 4 S 8.22 4.66 0.00 3.87 3.67 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 5 E 8.95 4.05 0.00 2.05 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 2.38 2.45 0.00 6 V 7.69 3.73 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 0.74 0.00 0.00 0.98 0.00 0.00 7 R 8.71 3.96 0.00 1.72 2.01 0.00 3.26 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.80 0.00 8 K 10.02 4.70 0.00 1.68 1.75 0.00 1.62 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.37 7.81 9 Q 8.40 5.08 0.00 2.04 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.86 0.00 0.00 0.00 0.00 0.00 2.52 2.44 0.00 10 L 9.16 4.17 0.00 1.77 1.78 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 11 E 7.68 3.87 0.00 2.18 1.99 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 2.48 2.35 0.00 12 E 8.67 3.49 0.00 2.22 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 13 A 8.91 4.04 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.73 3.82 0.00 2.05 2.21 0.00 3.58 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 15 K 7.79 4.20 0.00 1.86 1.90 0.00 1.56 0.00 0.00 1.63 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.65 7.81 16 L 8.74 4.13 0.00 1.88 1.84 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.00 0.00 17 S 7.93 4.14 0.00 3.90 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 18 P 0.00 4.18 0.00 2.15 2.09 0.00 3.55 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 19 V 8.04 3.54 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.93 0.00 0.00 20 E 8.25 4.09 0.00 2.02 1.97 0.00 0.00 0.00 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 2.30 0.00 21 L 7.95 3.97 0.00 1.68 1.83 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.06 3.86 0.00 2.21 2.07 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 2.30 2.45 0.00 23 K 7.36 4.02 0.00 1.79 1.97 0.00 1.85 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.53 7.81 24 L 7.67 4.09 0.00 1.95 1.69 0.99 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 25 V 7.55 3.54 2.07 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 0.90 0.00 0.00 1.07 0.00 0.00 26 R 8.05 4.07 0.00 2.01 2.03 0.00 3.08 0.00 0.00 3.16 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 27 E 8.15 4.04 0.00 2.08 1.98 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 2.52 2.48 0.00 28 K 7.95 4.10 0.00 2.06 1.79 0.00 1.56 0.00 0.00 2.03 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.53 7.81 29 K 7.89 3.79 0.00 1.90 2.08 0.00 1.18 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.50 1.60 7.81 30 R 8.18 4.16 0.00 1.88 2.13 0.00 3.33 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.54 0.00 31 E 8.64 4.14 0.00 1.92 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 0.00 2.11 2.65 0.00 32 L 8.47 2.44 0.00 1.63 1.42 0.98 0.88 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 33 M 8.61 2.79 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.54 0.00 34 E 8.51 4.33 0.00 2.17 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 2.20 2.22 0.00 35 L 8.67 4.89 0.00 1.83 2.05 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.58 4.34 0.00 1.88 2.08 0.00 3.13 0.00 0.00 3.30 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.62 0.00 37 F 8.33 5.08 0.00 3.19 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 8.63 4.08 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.58 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 39 A 7.63 4.38 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.88 4.21 0.00 3.84 3.96 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 41 I 8.57 3.76 1.88 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 1.35 1.17 0.92 0.00 0.00 42 G 6.82 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 7.89 4.38 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.25 6.67 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 44 L 7.38 3.89 0.00 1.81 1.78 0.96 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.40 4.86 0.00 3.96 3.87 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 46 Q 8.57 4.87 0.00 2.17 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.85 0.00 0.00 0.00 0.00 0.00 2.24 2.06 0.00 47 N 9.12 5.07 0.00 2.91 3.10 0.00 0.00 6.70 7.90 0.00 0.00 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 H 8.21 4.17 0.00 3.22 3.44 0.00 5.62 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 49 K 8.10 4.43 0.00 1.71 1.71 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.38 7.81 50 I 7.56 3.97 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 1.48 0.96 0.92 0.00 0.00 51 R 7.96 4.33 0.00 1.81 2.42 0.00 3.23 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.60 0.00 52 D 8.03 4.41 0.00 2.69 2.78 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 0.00 0.00 0.00 53 L 7.37 4.34 0.00 1.83 1.53 0.92 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 54 K 9.84 4.19 0.00 1.89 1.88 0.00 1.86 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.33 1.31 7.81 55 R 9.36 4.19 0.00 2.02 1.95 0.00 3.40 0.00 0.00 3.49 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 56 Q 7.95 4.47 0.00 2.14 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.22 6.32 0.00 0.00 0.00 0.00 0.00 2.45 2.25 0.00 57 I 8.32 3.29 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 0.59 0.91 0.00 0.00 58 A 7.76 3.39 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 59 R 8.61 3.53 0.00 2.07 2.17 0.00 3.04 0.00 0.00 3.26 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 60 L 9.49 4.11 0.00 1.83 1.88 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.50 4.44 0.00 1.76 1.70 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 62 T 7.56 3.53 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