NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5652 8.2893 118.1901 55.0079 34.0436 175.8326 2 K 4.3689 7.7711 124.8853 56.7755 31.1271 178.1713 3 Q 3.9386 8.7052 115.5872 55.0784 30.5011 176.7018 4 D 4.7925 7.8470 117.2911 53.9171 42.1548 176.8391 5 G 3.7998 8.1657 106.3946 45.1739 0.0000 173.4027 6 E 3.9105 8.4718 123.3099 56.5396 30.6212 177.1863 7 E 4.8636 8.3679 125.8540 56.6211 31.0571 176.6621 8 G 3.8624 8.4144 115.4541 46.4784 0.0000 173.2985 9 T 4.7646 8.6171 111.1169 61.3873 72.2910 172.2443 10 E 4.6217 7.3939 125.0354 55.6951 31.1283 177.8705 11 E 3.9480 9.0281 114.2202 56.8533 30.4416 175.0441 12 D 4.2802 8.1623 121.8961 55.6336 39.1133 174.3162 13 T 4.0425 7.2750 113.1798 61.7256 68.6068 172.5957 14 E 4.8272 8.2861 124.0450 54.6189 32.7365 174.5988 15 E 4.4042 7.8341 117.6121 55.1487 31.8435 174.3670 16 K 3.9729 8.6185 116.4073 56.8473 32.9044 176.2236 17 C 4.5647 8.6063 122.1368 60.0558 32.1208 174.0911 18 T 4.3269 8.1671 119.0189 62.7228 69.0917 176.3468 19 I 3.1055 6.8502 121.2472 64.1580 37.0767 176.5028 20 C 4.1952 7.8815 114.3444 59.9062 28.6084 173.4817 21 L 3.6010 7.2930 119.8877 54.8946 39.5144 174.2330 22 S 4.6400 7.9416 114.2114 56.9765 67.6683 175.1428 23 I 3.9677 8.1619 116.1562 60.9111 37.6692 175.9169 24 L 4.1921 8.1356 122.2497 54.9889 42.2261 176.0210 25 E 4.7324 7.9953 116.3333 55.2370 32.6302 175.7798 26 E 4.3282 8.6040 121.2332 55.5823 28.0967 175.6291 27 G 3.9670 7.9450 109.2816 46.4505 0.0000 170.8640 28 E 4.5498 7.5179 118.6893 54.2200 32.2108 173.7597 29 D 4.6932 8.2295 116.5847 54.6474 42.4718 176.6809 30 V 4.7778 8.1018 115.7785 60.0221 36.0139 174.5964 31 R 4.7812 8.8377 120.5200 55.4484 33.7665 173.8331 32 R 4.9690 8.4553 121.3472 53.8039 31.9387 175.8264 33 L 4.2494 8.2637 121.6449 55.0275 41.0646 176.0743 34 P 4.3960 0.0000 0.0000 63.8489 31.2632 176.4913 35 C 4.0967 8.2127 119.8337 61.4705 31.7542 175.0725 36 M 4.9682 7.5747 128.6358 57.1694 32.8667 175.5695 37 H 4.6866 7.2353 115.9488 55.4618 30.1767 174.1747 38 L 4.5421 7.8768 124.1007 54.2581 43.8091 175.3823 39 F 5.0245 8.7097 121.7606 56.2749 44.1758 173.6607 40 H 4.6677 9.0042 115.7669 56.2715 29.3891 176.5484 41 Q 4.0077 8.5645 122.9199 59.5885 29.0699 179.2998 42 V 3.6930 7.9172 119.5444 65.0984 31.0024 177.9058 43 C 4.1711 7.9646 117.0475 62.5056 28.2664 176.0135 44 V 3.7632 8.1317 120.9147 65.4983 30.7622 177.1270 45 D 4.4513 8.3332 119.1569 56.9981 40.8347 177.9819 46 Q 4.1154 8.3287 121.1387 58.3167 29.2255 178.8012 47 W 4.5622 8.5034 131.4630 60.0863 30.6388 177.6422 48 L 3.9732 7.8575 117.6976 58.2577 41.1782 179.4713 49 I 3.8238 7.6856 118.5918 64.9916 37.4810 177.2963 50 T 4.1723 7.9335 110.5417 61.6678 68.5962 173.4372 51 N 3.9931 6.2519 124.4330 51.6935 39.2970 174.7581 52 K 4.4103 8.2156 125.5119 56.7326 33.0082 176.5159 53 K 4.8420 7.8332 118.3162 54.2848 36.4039 175.8916 54 C 4.6153 9.1032 123.6570 59.1137 32.0842 173.0739 55 P 4.5853 0.0000 0.0000 65.9941 30.8415 177.4660 56 I 3.9925 7.3941 119.3848 63.6307 37.5485 176.6631 57 C 4.2177 7.7898 114.8777 59.3713 30.1995 175.1712 58 R 4.1757 8.1220 119.5207 56.1519 29.6152 175.5775 59 V 4.5103 6.9736 109.6784 59.7887 34.2894 174.7892 60 D 5.0130 8.3950 121.4746 53.9266 41.1163 176.6200 61 I 3.8069 8.5019 125.5212 64.5909 37.3204 174.9103 62 E 4.6068 7.3983 116.4497 55.7460 32.1373 174.0694 63 A 4.1683 8.6430 121.0712 54.9059 18.7679 178.7372 64 Q 4.0374 8.2788 114.7416 56.5269 29.1050 174.7434 65 L 4.2220 8.4609 123.7250 54.0075 43.2666 171.7439 66 P 5.0209 0.0000 0.0000 62.1168 29.2599 176.6711 67 S 4.5891 8.1514 109.5826 57.9274 68.5115 172.4039 68 E 4.7578 7.7503 120.9928 55.2820 33.1371 175.3801 69 S 4.1802 8.2727 115.8416 58.6966 62.9690 173.8584 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 8.29 4.57 0.00 2.11 2.22 0.00 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.59 0.00 2 K 7.77 4.37 0.00 1.86 0.90 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.37 1.61 7.81 3 Q 8.71 3.94 0.00 2.03 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.37 7.70 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 4 D 7.85 4.79 0.00 2.51 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.17 3.80 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 0.00 0.00 0.00 6 E 8.47 3.91 0.00 2.03 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 2.41 2.33 0.00 7 E 8.37 4.86 0.00 1.83 1.78 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 2.17 2.34 0.00 8 G 8.41 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 9 T 8.62 4.76 4.23 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 1.21 0.00 0.00 10 E 7.39 4.62 0.00 1.87 1.12 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 2.16 2.27 0.00 11 E 9.03 3.95 0.00 1.94 1.81 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 2.25 2.30 0.00 12 D 8.16 4.28 0.00 2.81 2.63 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 0.00 0.00 0.00 0.00 13 T 7.27 4.04 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 14 E 8.29 4.83 0.00 1.96 1.79 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 2.10 2.19 0.00 15 E 7.83 4.40 0.00 1.82 1.81 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 2.16 2.30 0.00 16 K 8.62 3.97 0.00 1.78 1.94 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.45 1.50 7.81 17 C 8.61 4.56 0.00 3.01 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 18 T 8.17 4.33 4.37 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 0.85 0.00 0.00 19 I 6.85 3.11 1.31 0.00 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 -0.36 0.72 0.00 0.00 20 C 7.88 4.20 0.00 2.96 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 21 L 7.29 3.60 0.00 1.59 1.75 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 22 S 7.94 4.64 0.00 3.90 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 I 8.16 3.97 1.86 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 0.53 0.91 0.00 0.00 24 L 8.14 4.19 0.00 1.61 1.59 0.89 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 25 E 8.00 4.73 0.00 2.04 1.89 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 2.29 2.47 0.00 26 E 8.60 4.33 0.00 1.99 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 2.31 2.30 0.00 27 G 7.94 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 28 E 7.52 4.55 0.00 1.88 1.84 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 2.19 2.28 0.00 29 D 8.23 4.69 0.00 2.83 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.10 4.78 2.30 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 0.80 0.00 0.00 0.94 0.00 0.00 31 R 8.84 4.78 0.00 1.96 1.77 0.00 3.13 0.00 0.00 3.39 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 32 R 8.46 4.97 0.00 1.97 1.97 0.00 3.13 0.00 0.00 3.45 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 33 L 8.26 4.25 0.00 1.97 1.98 1.18 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 4.40 0.00 2.22 2.22 0.00 3.85 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 35 C 8.21 4.10 0.00 3.03 3.11 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 36 M 7.57 4.97 0.00 1.94 1.94 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 37 H 7.24 4.69 0.00 3.06 2.86 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 7.88 4.54 0.00 1.72 1.45 0.94 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 39 F 8.71 5.02 0.00 3.01 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 40 H 9.00 4.67 0.00 3.27 3.19 0.00 5.82 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 8.56 4.01 0.00 2.21 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.06 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 42 V 7.92 3.69 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 0.71 0.00 0.00 0.93 0.00 0.00 43 C 7.96 4.17 0.00 3.24 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 44 V 8.13 3.76 2.36 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 0.94 0.00 0.00 1.15 0.00 0.00 45 D 8.33 4.45 0.00 2.88 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 46 Q 8.33 4.12 0.00 2.16 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.74 0.00 0.00 0.00 0.00 0.00 2.42 2.53 0.00 47 W 8.50 4.56 0.00 3.38 3.21 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 0.00 0.00 0.00 0.00 48 L 7.86 3.97 0.00 2.02 1.76 1.01 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.69 3.82 2.05 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 1.77 0.74 0.89 0.00 0.00 50 T 7.93 4.17 4.06 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 0.00 0.00 1.20 0.00 0.00 51 N 6.25 3.99 0.00 1.44 1.42 0.00 0.00 6.83 6.69 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 52 K 8.22 4.41 0.00 1.66 1.72 0.00 1.59 0.00 0.00 1.77 0.00 0.00 2.75 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.55 1.33 7.81 53 K 7.83 4.84 0.00 1.68 1.83 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.39 7.81 54 C 9.10 4.62 0.00 3.12 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 55 P 0.00 4.59 0.00 2.03 1.73 0.00 4.13 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.24 0.00 56 I 7.39 3.99 1.71 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.70 0.75 0.00 0.00 57 C 7.79 4.22 0.00 3.18 3.30 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 58 R 8.12 4.18 0.00 2.04 2.26 0.00 3.41 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.76 0.00 59 V 6.97 4.51 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 0.77 0.00 0.00 0.97 0.00 0.00 60 D 8.39 5.01 0.00 2.65 2.71 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 61 I 8.50 3.81 1.91 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.43 0.98 0.00 0.00 62 E 7.40 4.61 0.00 1.88 1.88 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 2.15 2.26 0.00 63 A 8.64 4.17 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 64 Q 8.28 4.04 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.47 0.00 0.00 0.00 0.00 0.00 2.66 2.49 0.00 65 L 8.46 4.22 0.00 1.70 1.90 0.94 1.06 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 66 P 0.00 5.02 0.00 2.18 1.13 0.00 3.76 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 67 S 8.15 4.59 0.00 3.80 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 E 7.75 4.76 0.00 1.90 1.75 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 2.20 2.36 0.00 69 S 8.27 4.18 0.00 3.96 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