NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.6138 8.4244 118.2181 52.4207 38.5953 174.8858 2 K 3.9376 7.8590 119.4048 56.7436 32.9166 175.5884 3 A 4.5336 8.5627 130.1964 51.9733 19.8045 175.9296 4 S 4.7757 9.9658 114.9432 55.9261 66.9342 173.6075 5 V 4.0118 8.2956 121.7799 63.5479 32.3342 174.9798 6 V 4.4330 8.2716 128.6502 60.6599 33.3377 174.0567 7 A 3.6285 8.7748 132.0322 52.3802 18.7980 176.9220 8 N 4.6204 9.0250 121.0926 57.0255 39.2568 174.3527 9 Q 4.3334 7.8072 122.1096 55.6775 30.4484 175.2523 10 L 4.3799 8.5568 127.9477 55.3901 42.8889 175.9482 11 I 4.6508 8.5926 120.5970 58.5056 40.3598 174.7359 12 P 4.7033 0.0000 0.0000 62.4419 32.6597 173.9523 13 I 4.2697 8.1371 111.8391 61.1636 39.9981 175.2380 14 N 4.2534 8.1119 117.2634 54.0930 36.4684 173.9373 15 T 4.4986 7.3962 114.2284 61.7589 70.1387 173.7398 16 A 4.2074 8.6390 128.4897 52.6883 18.8716 176.9129 17 L 4.5884 8.5168 122.5066 54.0568 44.3590 176.1507 18 T 4.6493 7.7758 109.5984 60.7829 71.1337 174.3553 19 L 4.1049 8.6340 118.7425 58.2770 41.9630 179.2282 20 I 3.7181 7.7814 110.5940 63.7638 37.4366 176.2850 21 M 4.3500 7.5202 117.6611 54.9015 31.7282 175.2044 22 M 4.5267 8.2483 119.5444 53.6474 33.9229 174.9416 23 K 4.5427 8.3911 125.8530 54.2213 35.1854 175.5807 24 A 4.2589 8.7981 127.8833 52.1948 17.7377 175.7845 25 E 4.5388 9.3021 123.1104 55.3866 32.9513 175.4585 26 V 4.4984 8.2820 125.6657 61.3497 30.0499 175.0286 27 V 4.5338 7.9665 121.2134 59.4524 34.8618 175.7451 28 T 4.4517 8.1539 115.2095 60.0112 68.7829 173.8369 29 P 4.6501 0.0000 0.0000 62.3923 33.1925 175.4480 30 M 4.1691 8.7415 114.1973 56.3595 32.4777 178.6516 31 G 3.6596 7.7901 108.7874 46.9336 0.0000 172.6887 32 I 4.3634 8.0033 122.6144 59.0550 38.5831 174.7439 33 P 4.7921 0.0000 0.0000 62.6826 32.9134 176.6383 34 A 4.6704 8.4420 125.0275 52.3881 19.2863 178.7243 35 E 4.0315 8.3800 119.1435 59.9178 29.6313 177.6227 36 E 4.8679 7.7434 116.2841 54.7748 30.8479 178.2224 37 I 3.7905 7.9023 122.0770 65.3027 37.2532 176.7248 38 P 4.5519 0.0000 0.0000 64.0665 31.3641 176.1840 39 N 4.7951 7.7703 115.3174 53.8973 40.7512 175.5255 40 L 3.9825 8.7045 120.8894 56.7131 42.4639 174.7926 41 V 3.3396 7.2211 118.1040 66.6925 30.8260 175.3539 42 G 4.0786 9.3270 118.1442 45.5827 0.0000 171.4356 43 M 4.4788 7.9977 118.9673 53.8596 34.6323 174.5325 44 Q 4.8679 8.3810 123.9141 54.3447 31.2618 175.9220 45 V 4.7747 8.2748 117.2392 60.7835 33.2776 175.9383 46 N 4.9460 8.6520 118.4765 53.4165 40.1119 173.9786 47 R 4.7055 7.7747 117.5194 54.5511 32.8450 174.6161 48 A 3.9979 8.7970 127.0786 52.9281 19.2509 176.7017 49 V 4.3076 8.4725 121.9548 60.4610 33.8433 174.2438 50 P 4.8038 0.0000 0.0000 61.9503 32.9030 175.7734 51 L 4.2483 8.3861 117.6553 56.2003 42.4849 177.0309 52 G 3.9593 8.4129 109.6806 46.7389 0.0000 173.9124 53 T 4.4638 8.4824 115.5974 61.9543 70.6004 176.5569 54 T 4.1079 8.5749 123.8746 63.4907 69.5290 173.7044 55 L 4.0123 8.7445 129.0442 55.8533 43.1836 176.0089 56 M 4.9829 8.5471 125.8007 52.7843 34.6043 174.9814 57 P 4.7350 0.0000 0.0000 64.3160 31.7312 176.4597 58 D 4.6677 7.9674 117.6212 55.3349 41.8539 176.0170 59 M 4.6336 7.8068 118.6321 55.4783 32.6328 175.5788 60 V 4.3849 7.5826 118.1726 60.7126 32.9384 174.4418 61 K 4.0303 7.7427 129.5430 57.7074 32.5436 177.2716 62 N 4.6746 7.4951 124.6277 50.6317 36.5082 172.4844 63 Y 3.7358 8.3038 125.8626 58.5255 38.8238 175.0517 64 E 4.1246 8.2283 129.4449 57.8801 30.1025 177.5487 65 D 4.7617 7.8784 120.2212 53.3932 40.4053 176.7474 66 G 3.9118 7.4868 109.2001 43.9273 0.0000 170.6555 67 T 4.3150 7.8711 118.4980 64.1630 68.9086 176.8694 68 T 3.9908 7.2706 116.6758 64.7344 67.4944 174.0662 69 S 4.4747 6.8551 122.3426 58.9577 69.8703 176.1175 70 P 4.6240 0.0000 0.0000 62.4915 29.4286 176.4026 71 G 4.1324 7.4957 101.0462 46.0580 0.0000 173.5025 72 L 4.2143 8.0278 123.1200 56.2460 43.0131 175.9688 73 K 4.1512 7.9161 122.6209 56.5050 32.1710 175.8922 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 N 8.42 4.61 0.00 2.85 2.96 0.00 0.00 6.01 6.25 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 2 K 7.86 3.94 0.00 1.88 1.79 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.52 7.81 3 A 8.56 4.53 1.21 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 0.00 0.00 4 S 9.97 4.78 0.00 3.95 3.98 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 5 V 8.30 4.01 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 0.96 0.00 0.00 1.01 0.00 0.00 6 V 8.27 4.43 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 0.94 0.00 0.00 1.01 0.00 0.00 7 A 8.77 3.63 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 N 9.02 4.62 0.00 2.78 2.71 0.00 0.00 6.76 7.12 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 9 Q 7.81 4.33 0.00 2.08 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.77 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 10 L 8.56 4.38 0.00 1.69 1.59 0.92 0.95 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 11 I 8.59 4.65 1.86 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 1.57 0.67 0.90 0.00 0.00 12 P 0.00 4.70 0.00 2.19 2.12 0.00 3.74 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 13 I 8.14 4.27 2.06 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 1.46 0.92 0.98 0.00 0.00 14 N 8.11 4.25 0.00 2.94 2.96 0.00 0.00 6.76 8.32 0.00 0.00 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 T 7.40 4.50 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 1.20 0.00 0.00 16 A 8.64 4.21 1.22 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 0.00 0.00 0.00 17 L 8.52 4.59 0.00 1.62 1.57 0.89 0.29 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 18 T 7.78 4.65 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 1.20 0.00 0.00 19 L 8.63 4.10 0.00 1.73 1.75 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.78 3.72 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 1.41 0.52 0.91 0.00 0.00 21 M 7.52 4.35 0.00 2.06 2.31 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.45 0.00 22 M 8.25 4.53 0.00 1.89 2.18 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.45 0.00 23 K 8.39 4.54 0.00 1.70 1.68 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.39 7.81 24 A 8.80 4.26 1.24 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 0.00 0.00 0.00 25 E 9.30 4.54 0.00 2.00 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 2.20 2.21 0.00 26 V 8.28 4.50 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 0.82 0.00 0.00 1.00 0.00 0.00 27 V 7.97 4.53 2.31 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 0.84 0.00 0.00 0.93 0.00 0.00 28 T 8.15 4.45 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 29 P 0.00 4.65 0.00 2.23 2.09 0.00 3.82 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 30 M 8.74 4.17 0.00 2.16 2.25 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.49 0.00 31 G 7.79 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 0.00 0.00 0.00 32 I 8.00 4.36 1.88 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 1.46 1.23 0.96 0.00 0.00 33 P 0.00 4.79 0.00 2.19 2.12 0.00 3.79 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.96 0.00 34 A 8.44 4.67 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 35 E 8.38 4.03 0.00 2.10 2.13 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 2.32 2.35 0.00 36 E 7.74 4.87 0.00 2.18 2.27 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 2.29 2.25 0.00 37 I 7.90 3.79 1.91 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 1.39 1.18 0.91 0.00 0.00 38 P 0.00 4.55 0.00 2.18 2.17 0.00 3.63 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 39 N 7.77 4.80 0.00 2.79 2.89 0.00 0.00 7.38 7.87 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 40 L 8.70 3.98 0.00 1.84 1.62 0.85 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.22 3.34 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 0.74 0.00 0.00 0.99 0.00 0.00 42 G 9.33 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 43 M 8.00 4.48 0.00 2.13 1.94 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 44 Q 8.38 4.87 0.00 2.01 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 45 V 8.27 4.77 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 1.01 0.00 0.00 0.91 0.00 0.00 46 N 8.65 4.95 0.00 2.70 2.78 0.00 0.00 6.68 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 47 R 7.77 4.71 0.00 1.79 1.74 0.00 3.37 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.65 0.00 48 A 8.80 4.00 1.24 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 0.00 0.00 0.00 49 V 8.47 4.31 2.32 0.00 0.00 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 0.97 0.00 0.00 50 P 0.00 4.80 0.00 2.21 2.08 0.00 3.81 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 1.98 1.98 0.00 51 L 8.39 4.25 0.00 1.66 1.64 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 52 G 8.41 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 0.00 0.00 0.00 53 T 8.48 4.46 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 54 T 8.57 4.11 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 55 L 8.74 4.01 0.00 2.00 1.56 0.88 0.80 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 56 M 8.55 4.98 0.00 2.11 1.93 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.50 0.00 57 P 0.00 4.73 0.00 2.32 2.38 0.00 3.80 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.01 0.00 58 D 7.97 4.67 0.00 2.66 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.81 4.63 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.43 0.00 60 V 7.58 4.38 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 0.23 0.00 0.00 0.72 0.00 0.00 61 K 7.74 4.03 0.00 1.96 1.71 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.43 7.81 62 N 7.50 4.67 0.00 2.86 2.85 0.00 0.00 5.92 7.53 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 63 Y 8.30 3.74 0.00 3.04 2.91 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 64 E 8.23 4.12 0.00 2.17 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 2.31 2.44 0.00 65 D 7.88 4.76 0.00 2.91 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 66 G 7.49 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 67 T 7.87 4.31 4.21 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 1.19 0.00 0.00 68 T 7.27 3.99 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 0.95 0.00 0.00 69 S 6.86 4.47 0.00 3.79 3.75 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 70 P 0.00 4.62 0.00 2.21 2.11 0.00 3.54 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.81 0.00 71 G 7.50 4.13 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 0.00 0.00 0.00 72 L 8.03 4.21 0.00 1.60 1.70 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 73 K 7.92 4.15 0.00 1.78 1.69 0.00 1.89 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.39 7.81