NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3951 0.0000 0.0000 61.1165 31.8833 175.2076 3 P 4.0525 0.0000 0.0000 62.3135 32.2512 174.6262 4 R 4.4281 9.1990 122.4817 54.4079 31.8123 175.1130 5 P 3.9315 0.0000 0.0000 66.0218 31.2867 178.3280 6 L 3.9385 7.8388 116.5847 57.2345 41.6474 178.9068 7 D 4.4296 8.8141 120.2475 57.1259 40.5024 178.7693 8 V 3.6398 7.5981 117.7164 65.5805 31.7662 177.3914 9 L 3.9418 7.4621 120.4381 57.6054 41.7070 178.4284 10 N 4.5745 7.9469 117.2200 56.8179 38.8590 176.8784 11 R 4.0615 7.7633 117.1395 58.1777 30.5731 177.8231 12 S 4.6368 7.7146 114.0683 57.0790 63.7391 173.9143 13 L 4.3520 7.5418 122.7970 56.3329 41.8626 177.4078 14 K 3.9717 9.0296 120.2592 56.9841 30.4213 175.6364 15 S 5.0380 7.7202 114.8491 55.6514 67.1059 171.5183 16 P 5.0030 0.0000 0.0000 63.1210 32.6776 175.6319 17 V 5.1166 9.2742 115.3394 59.9657 37.0100 173.9387 18 I 4.9743 9.4136 123.5538 59.6156 40.1301 174.9998 19 V 4.6008 8.9323 127.2246 61.0665 33.9438 174.1037 20 R 4.5814 7.7141 128.9716 55.1843 31.6665 175.1849 21 L 5.1499 8.5148 125.5151 52.3886 45.3751 175.8983 22 K 4.2115 8.6241 121.5278 57.5097 31.8378 177.2468 23 G 3.8736 9.9916 112.4000 45.2395 0.0000 174.4758 24 G 4.0035 8.0358 108.0149 45.0461 0.0000 174.4275 25 R 4.1030 7.7504 118.2420 56.6683 31.3675 175.2563 26 E 5.1937 8.6127 120.9903 54.6869 34.0774 174.2010 27 F 5.1498 8.9401 121.4365 55.8583 43.4281 173.8144 28 R 5.0298 8.9079 123.1882 54.7676 32.9209 175.7657 29 G 4.0697 8.3000 109.5343 46.7022 0.0000 171.3177 30 T 4.9622 8.0628 116.7761 62.1540 70.3975 174.5907 31 L 4.5983 8.8760 129.0993 55.2950 42.2170 176.2749 32 D 4.6345 9.0407 127.1522 54.1867 42.2574 176.1687 33 G 3.9952 7.7059 106.2664 46.3153 0.0000 171.4158 34 Y 5.6157 7.7394 114.4874 57.0204 40.3595 173.3914 35 D 5.1313 8.1108 121.1276 51.5956 42.3006 176.3739 36 I 3.8341 8.2806 118.3829 65.1377 36.8538 176.9025 37 H 4.4361 8.2508 115.1916 56.1919 28.7970 175.0398 38 M 2.9717 8.0394 118.4888 56.5877 31.0491 175.8759 39 N 4.9893 8.4268 113.5212 52.9180 40.1826 174.4539 40 L 5.4282 9.2148 120.6064 53.1386 46.9228 175.4901 41 V 4.8133 8.6991 120.3311 61.1987 34.5559 174.3452 42 L 5.3994 8.8911 127.0426 52.9660 45.5487 175.4398 43 L 5.0087 8.6932 121.9279 53.1395 44.7546 175.7473 44 D 4.3685 8.0999 119.9244 55.4437 40.2042 172.1995 45 A 5.1538 7.8748 121.4817 50.7090 23.1155 176.9148 46 E 5.0126 9.5935 118.6940 54.5372 33.6837 174.9494 47 E 3.7436 8.7468 125.8124 55.2542 30.7921 174.9705 48 I 4.7382 8.2471 128.5755 59.9198 40.0786 175.1663 49 Q 4.1405 9.1126 127.2333 54.8220 31.5793 173.5220 50 N 4.2455 9.5061 125.5185 54.6818 35.5131 174.9680 51 G 3.9516 8.0913 101.9564 45.7735 0.0000 171.3784 52 E 4.6042 7.5971 118.5232 54.0699 32.6248 175.3774 53 V 4.2581 8.2931 122.3918 62.6740 31.6102 175.8434 54 V 4.2690 8.2221 120.7569 61.8822 33.0323 176.1708 55 R 4.6659 7.4727 119.3192 54.9080 33.5046 173.2906 56 K 5.0756 8.5685 124.9112 54.8294 35.4920 175.6008 57 V 4.5823 8.6682 119.0270 59.6777 35.7500 176.7713 58 G 3.8922 8.9561 111.0012 48.9148 0.0000 173.1329 59 S 5.3400 7.8178 112.4266 57.7952 65.7478 174.7941 60 V 4.3225 8.4102 119.0952 60.8013 34.8474 172.2348 61 V 4.6276 8.3400 124.0921 61.2949 33.2337 174.5325 62 I 4.4660 8.7522 128.8996 59.3250 40.2731 175.2884 63 R 4.5378 8.5622 125.9614 55.5166 30.5628 177.5246 64 G 4.1919 9.6548 113.2987 47.3294 0.0000 174.6430 65 D 4.3596 8.1591 118.1067 57.1696 41.3799 177.0970 66 T 4.2296 8.4166 115.0371 64.3403 69.1389 174.8404 67 V 4.1136 7.3950 122.0695 62.7725 32.2197 175.3038 68 V 4.2328 8.4800 127.9660 64.6096 32.3447 175.4633 69 F 5.0371 7.1588 112.8572 55.9723 41.2541 172.6128 70 V 5.1968 8.4881 118.6116 61.4239 34.4227 174.4827 71 S 4.7971 9.2917 120.9006 56.1053 66.6333 171.7215 72 P 4.7029 0.0000 0.0000 62.8584 31.6697 175.7697 73 A 4.0783 8.6440 125.6885 51.2491 19.6196 176.0733 74 P 4.3475 0.0000 0.0000 62.6852 31.1975 176.4519 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 2 P 0.00 4.40 0.00 2.06 2.09 0.00 3.66 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 1.92 2.11 0.00 3 P 0.00 4.05 0.00 2.11 1.99 0.00 3.66 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 2.03 2.16 0.00 4 R 9.20 4.43 0.00 2.22 1.86 0.00 3.29 0.00 0.00 3.34 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 5 P 0.00 3.93 0.00 2.13 2.12 0.00 3.58 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 6 L 7.84 3.94 0.00 1.71 1.75 0.98 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.81 4.43 0.00 2.83 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.60 3.64 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 0.81 0.00 0.00 0.91 0.00 0.00 9 L 7.46 3.94 0.00 1.54 0.94 0.80 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 10 N 7.95 4.57 0.00 3.07 3.06 0.00 0.00 7.14 7.79 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 11 R 7.76 4.06 0.00 1.98 1.99 0.00 3.19 0.00 0.00 3.43 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 12 S 7.71 4.64 0.00 3.95 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 13 L 7.54 4.35 0.00 1.71 1.67 0.99 1.00 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 14 K 9.03 3.97 0.00 1.92 1.96 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.41 7.81 15 S 7.72 5.04 0.00 4.01 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 16 P 0.00 5.00 0.00 2.14 2.19 0.00 3.65 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.01 0.00 17 V 9.27 5.12 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 0.81 0.00 0.00 1.01 0.00 0.00 18 I 9.41 4.97 2.10 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.77 1.01 0.00 0.00 19 V 8.93 4.60 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 0.89 0.00 0.00 0.94 0.00 0.00 20 R 7.71 4.58 0.00 1.11 0.66 0.00 3.20 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.40 0.00 21 L 8.51 5.15 0.00 1.59 1.52 1.04 0.66 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 22 K 8.62 4.21 0.00 1.62 1.76 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.61 7.81 23 G 9.99 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 0.00 0.00 0.00 24 G 8.04 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.75 4.10 0.00 1.74 1.83 0.00 3.31 0.00 0.00 3.20 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.57 0.00 26 E 8.61 5.19 0.00 1.91 1.64 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 2.17 2.20 0.00 27 F 8.94 5.15 0.00 3.05 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 28 R 8.91 5.03 0.00 1.72 1.85 0.00 3.18 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 29 G 8.30 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 30 T 8.06 4.96 4.26 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 1.21 0.00 0.00 31 L 8.88 4.60 0.00 1.81 1.76 1.04 0.96 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 32 D 9.04 4.63 0.00 2.68 2.65 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 0.00 0.00 0.00 0.00 33 G 7.71 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Y 7.74 5.62 0.00 3.08 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 35 D 8.11 5.13 0.00 2.89 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 36 I 8.28 3.83 1.78 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 1.41 0.44 0.86 0.00 0.00 37 H 8.25 4.44 0.00 3.36 3.32 0.00 5.72 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 M 8.04 2.97 0.00 2.28 2.16 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 39 N 8.43 4.99 0.00 3.03 2.72 0.00 0.00 6.81 6.15 0.00 0.00 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 9.21 5.43 0.00 1.45 1.50 0.91 0.85 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 41 V 8.70 4.81 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 1.03 0.00 0.00 0.90 0.00 0.00 42 L 8.89 5.40 0.00 1.49 1.49 0.91 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.69 5.01 0.00 1.59 1.54 0.99 0.84 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 44 D 8.10 4.37 0.00 2.73 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 45 A 7.87 5.15 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.59 5.01 0.00 1.81 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 2.22 2.24 0.00 47 E 8.75 3.74 0.00 1.22 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.53 0.00 48 I 8.25 4.74 1.79 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.02 0.87 0.00 0.00 49 Q 9.11 4.14 0.00 1.99 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.24 0.00 0.00 0.00 0.00 0.00 2.21 2.35 0.00 50 N 9.51 4.25 0.00 2.84 2.80 0.00 0.00 7.13 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 51 G 8.09 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 0.00 0.00 0.00 52 E 7.60 4.60 0.00 2.09 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 2.37 2.32 0.00 53 V 8.29 4.26 2.06 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 0.76 0.00 0.00 0.97 0.00 0.00 54 V 8.22 4.27 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.86 0.00 0.00 55 R 7.47 4.67 0.00 1.86 1.72 0.00 3.21 0.00 0.00 3.28 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.72 0.00 56 K 8.57 5.08 0.00 1.75 1.62 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.72 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.46 7.81 57 V 8.67 4.58 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 0.97 0.00 0.00 1.07 0.00 0.00 58 G 8.96 3.89 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 0.00 0.00 0.00 59 S 7.82 5.34 0.00 3.82 3.79 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 60 V 8.41 4.32 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.00 0.00 0.60 0.00 0.00 61 V 8.34 4.63 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.89 0.00 0.00 62 I 8.75 4.47 1.76 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.17 0.85 0.00 0.00 63 R 8.56 4.54 0.00 1.82 1.85 0.00 3.30 0.00 0.00 3.33 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.55 0.00 64 G 9.65 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 0.00 0.00 0.00 0.00 65 D 8.16 4.36 0.00 2.63 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.42 4.23 4.31 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 1.21 0.00 0.00 67 V 7.40 4.11 2.19 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 0.67 0.00 0.00 0.90 0.00 0.00 68 V 8.48 4.23 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.92 0.00 0.00 69 F 7.16 5.04 0.00 3.10 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 70 V 8.49 5.20 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 0.88 0.00 0.00 0.93 0.00 0.00 71 S 9.29 4.80 0.00 3.90 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 72 P 0.00 4.70 0.00 1.97 2.06 0.00 3.73 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 73 A 8.64 4.08 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 74 P 0.00 4.35 0.00 2.07 1.99 0.00 3.73 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.15 0.00