NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2929 8.3049 118.1643 54.4585 32.5370 175.1647 2 I 3.5622 8.2793 122.7165 59.2406 37.6145 173.8817 3 P 4.4185 0.0000 0.0000 62.4555 32.8736 173.1115 4 V 3.3122 7.7303 117.8836 63.5213 30.9488 174.1089 5 R 3.9128 7.6645 121.3821 56.7593 30.8004 175.6800 6 C 4.5486 8.4071 118.7827 57.9226 31.0879 173.4659 7 L 5.2455 7.7575 130.9485 53.8479 42.4461 177.0525 8 S 4.6702 8.3434 122.7271 60.0593 67.1296 178.8882 9 C 3.9497 8.7439 116.0512 58.9263 29.7914 171.9899 10 G 3.5630 6.3569 113.3566 44.7265 0.0000 174.5578 11 K 4.6253 7.5410 120.0352 53.2894 34.8464 173.7726 12 P 4.4886 0.0000 0.0000 62.6300 31.8691 177.1577 13 V 4.3236 7.9450 113.8147 61.6422 32.7286 178.5039 14 S 3.4627 7.5299 114.9034 61.4753 62.5497 176.1187 15 A 4.0197 7.8836 121.3966 55.3490 18.3119 178.5193 16 Y 4.2494 7.5349 114.7135 60.3045 38.1905 177.6901 17 F 4.6993 8.9167 119.4646 61.0220 38.8560 177.4359 18 N 4.4268 8.3887 115.6301 56.1091 38.3460 176.7101 19 E 3.9658 8.8529 121.0445 59.4916 29.8451 178.0061 20 Y 4.0336 8.2643 119.0210 60.9232 38.7012 177.5782 21 Q 3.9547 8.4926 120.2458 59.2863 29.2313 178.0540 22 R 3.8763 8.3502 119.7431 60.0410 30.0412 178.2677 23 R 3.8338 8.3885 117.9994 59.1796 29.8445 178.9410 24 V 3.3367 8.0224 118.5501 66.0750 31.3912 178.0850 25 A 4.0817 7.9716 120.0209 55.4387 18.4146 179.1927 26 D 4.4951 7.7700 115.9438 56.3181 40.8826 177.1252 27 G 4.1717 7.8570 109.1626 45.7901 0.0000 173.6244 28 E 4.2320 7.8828 118.4152 54.7677 30.8544 176.5946 29 D 4.3349 8.5541 121.7431 54.2590 41.5597 175.7415 30 P 4.1803 0.0000 0.0000 65.6217 31.2450 178.5354 31 K 3.8736 8.1891 115.5013 59.8444 32.1202 178.2208 32 D 4.4557 8.0207 117.8724 57.2002 40.6740 178.4147 33 V 3.6286 7.6946 118.3329 66.0667 31.7190 177.4977 34 L 4.1978 8.6138 119.0863 58.2488 41.2365 179.1495 35 D 4.3298 7.6701 116.4712 57.3230 41.1983 177.8086 36 D 4.4566 7.8202 118.0423 57.1481 41.1765 177.8357 37 L 3.7250 8.6436 119.1803 56.3224 42.8148 177.5737 38 G 3.2746 7.6369 102.8782 46.1864 0.0000 175.4009 39 L 4.4835 7.1949 117.0314 52.0565 42.1835 176.9322 40 K 3.7684 8.3279 122.1176 57.6448 32.9004 173.2672 41 R 3.8667 8.6472 128.3847 55.8562 30.4632 177.0280 42 Y 4.4051 8.2845 120.1981 59.1131 38.0269 177.3624 43 C 3.8913 7.4250 115.9049 61.5938 29.4380 175.3745 44 C 4.9908 7.5386 118.6375 61.8284 28.0558 175.6514 45 R 3.9164 8.0880 119.2313 59.7389 29.5179 178.7899 46 R 3.9693 8.3413 114.4868 60.0103 29.3530 177.8922 47 M 4.2896 7.8768 118.0342 58.0807 32.0470 177.7124 48 L 4.0772 8.5394 120.3985 56.4832 41.5631 179.0303 49 I 3.6765 8.0665 115.2662 64.2688 37.5195 177.3170 50 S 4.3224 7.4679 115.9730 60.7507 62.6113 174.6725 51 H 4.3692 8.1395 121.3715 54.7861 30.8047 175.8909 52 V 2.9510 7.4411 120.1227 61.8304 30.2010 174.7438 53 E 4.0639 7.4136 121.1526 57.4957 28.8323 175.8938 54 T 4.1652 8.2447 115.4140 63.4974 69.7119 175.3629 55 W 4.2412 8.5429 125.6088 57.1100 29.0574 175.5874 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 4.29 0.00 1.73 1.98 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.50 0.00 2 I 8.28 3.56 1.91 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.45 0.93 0.00 0.00 3 P 0.00 4.42 0.00 2.18 2.08 0.00 3.91 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 1.99 1.95 0.00 4 V 7.73 3.31 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 0.83 0.00 0.00 0.93 0.00 0.00 5 R 7.66 3.91 0.00 1.80 1.90 0.00 3.32 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 6 C 8.41 4.55 0.00 2.96 2.79 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 0.00 0.00 0.00 7 L 7.76 5.25 0.00 1.61 1.65 0.98 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 8 S 8.34 4.67 0.00 3.80 3.78 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 9 C 8.74 3.95 0.00 3.12 2.98 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 10 G 6.36 3.56 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 0.00 0.00 0.00 11 K 7.54 4.63 0.00 1.82 1.69 0.00 1.57 0.00 0.00 1.82 0.00 0.00 3.23 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.42 1.50 7.81 12 P 0.00 4.49 0.00 2.05 1.95 0.00 3.73 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.06 0.00 13 V 7.95 4.32 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.19 0.00 0.00 14 S 7.53 3.46 0.00 3.72 3.73 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 15 A 7.88 4.02 1.17 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 0.00 0.00 0.00 0.00 0.00 16 Y 7.53 4.25 0.00 3.19 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 17 F 8.92 4.70 0.00 3.26 3.13 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 18 N 8.39 4.43 0.00 2.93 2.91 0.00 0.00 6.84 7.68 0.00 0.00 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 E 8.85 3.97 0.00 2.30 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 2.46 2.46 0.00 20 Y 8.26 4.03 0.00 3.07 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 21 Q 8.49 3.95 0.00 2.36 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.50 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 22 R 8.35 3.88 0.00 1.90 2.09 0.00 3.16 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 23 R 8.39 3.83 0.00 2.01 1.81 0.00 3.34 0.00 0.00 3.12 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 24 V 8.02 3.34 1.65 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 0.61 0.00 0.00 -0.49 0.00 0.00 25 A 7.97 4.08 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 D 7.77 4.50 0.00 2.65 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 27 G 7.86 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 28 E 7.88 4.23 0.00 1.83 1.85 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 2.26 2.40 0.00 29 D 8.55 4.33 0.00 2.67 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.18 0.00 2.26 2.07 0.00 3.60 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 2.09 1.96 0.00 31 K 8.19 3.87 0.00 1.74 1.92 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.56 7.81 32 D 8.02 4.46 0.00 2.86 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 33 V 7.69 3.63 2.37 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 1.17 0.00 0.00 0.98 0.00 0.00 34 L 8.61 4.20 0.00 1.97 1.77 0.96 1.33 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 35 D 7.67 4.33 0.00 2.65 2.79 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 0.00 0.00 0.00 36 D 7.82 4.46 0.00 2.83 2.81 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 0.00 0.00 0.00 37 L 8.64 3.72 0.00 1.78 1.75 1.10 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 38 G 7.64 3.27 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 0.00 0.00 0.00 0.00 0.00 0.00 39 L 7.19 4.48 0.00 1.61 1.64 0.97 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 40 K 8.33 3.77 0.00 1.72 1.75 0.00 1.89 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.42 7.81 41 R 8.65 3.87 0.00 1.94 1.74 0.00 3.04 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 42 Y 8.28 4.41 0.00 3.23 3.23 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 0.00 43 C 7.43 3.89 0.00 2.99 2.79 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 0.00 0.00 0.00 44 C 7.54 4.99 0.00 3.06 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 45 R 8.09 3.92 0.00 1.94 2.06 0.00 3.22 0.00 0.00 3.43 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.93 0.00 46 R 8.34 3.97 0.00 2.00 2.34 0.00 3.20 0.00 0.00 3.31 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.91 0.00 47 M 7.88 4.29 0.00 2.12 2.28 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 2.65 0.00 48 L 8.54 4.08 0.00 1.65 1.36 1.01 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 49 I 8.07 3.68 1.95 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.62 1.02 0.00 0.00 50 S 7.47 4.32 0.00 3.91 3.94 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 0.00 0.00 0.00 0.00 51 H 8.14 4.37 0.00 3.03 3.36 0.00 5.88 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 V 7.44 2.95 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 -0.27 0.00 0.00 53 E 7.41 4.06 0.00 1.73 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 2.40 2.45 0.00 54 T 8.24 4.17 4.30 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 1.13 0.00 0.00 55 W 8.54 4.24 0.00 3.29 3.28 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