NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.5046 0.0000 0.0000 62.3516 33.7304 174.6605 2 F 5.2852 8.8124 124.0423 56.3665 41.5760 172.6229 3 I 4.1791 9.0789 128.7035 59.4275 39.6981 173.7876 4 E 4.7157 8.2813 128.2028 54.3916 31.5869 174.5091 5 C 4.7199 8.9150 124.7632 58.3119 31.1341 172.5905 6 H 5.4594 8.8692 121.9864 54.3110 29.6399 174.2852 7 I 4.8564 8.8405 116.5596 58.5022 41.5223 174.6875 8 A 4.7935 8.5642 124.3422 51.8874 18.9522 177.5078 9 T 4.0860 8.0700 110.5799 62.1968 69.1559 173.4107 10 G 3.8041 9.0256 111.0698 45.9256 0.0000 174.9637 11 L 4.1206 7.7426 120.3074 54.3255 42.3322 177.6459 12 S 4.3929 8.3830 117.5999 57.7621 65.2291 175.4669 13 V 3.5322 8.3614 121.5515 66.3577 31.0911 177.9834 14 A 4.0120 7.9567 119.6888 55.3956 18.3098 179.7117 15 R 3.8784 8.0012 116.4561 59.1524 30.0678 179.5301 16 K 4.0056 8.2835 118.7560 59.4587 32.0618 179.3600 17 Q 3.9905 8.5212 118.7736 59.0913 28.5705 178.7445 18 Q 3.9644 8.3258 120.6954 58.9465 29.0329 178.0148 19 L 3.9304 8.0447 121.4083 58.1585 42.1537 179.0224 20 I 3.6877 7.7595 119.6659 64.5148 36.9925 178.5339 21 R 3.9446 8.0718 118.7986 59.4778 29.8089 178.9148 22 D 4.3195 8.4341 118.8911 57.2303 40.8067 178.8585 23 V 3.5625 8.2007 119.1721 66.0644 31.4139 178.0318 24 I 3.6803 7.8175 119.3406 64.4289 36.9095 177.7485 25 D 4.3011 8.2714 118.9022 57.5138 41.1078 178.4013 26 V 3.5720 8.0038 118.7996 66.3230 31.4556 178.1163 27 T 3.8330 8.0444 115.3172 66.6512 68.3467 176.0347 28 N 4.5080 8.2827 120.5254 56.1773 38.7900 176.7383 29 K 4.1880 8.2411 117.6986 58.2159 32.2567 178.6657 30 S 4.5763 7.6249 114.6165 59.4070 63.7318 174.8068 31 I 4.3471 7.7876 110.7204 59.9242 38.2052 176.3649 32 G 3.9517 8.3115 109.6542 45.3980 0.0000 174.3112 33 S 4.1432 7.7584 116.5077 58.2033 63.5831 173.2656 34 D 4.6059 8.7194 124.1282 53.9152 41.6383 175.1685 35 P 4.2512 0.0000 0.0000 65.8166 31.4564 178.1246 36 K 4.2354 8.7167 116.1820 57.8806 31.9307 177.3875 37 I 4.4645 7.8903 111.3393 60.2789 37.9394 174.7633 38 I 4.6220 7.6553 122.1511 60.3486 38.4631 174.8428 39 N 5.1913 9.2006 124.1295 51.4374 41.7170 173.7491 40 V 5.0142 8.5143 121.8822 61.0430 35.0434 174.1625 41 L 4.8312 8.9130 128.5959 53.3465 45.1126 174.7164 42 L 4.9603 8.6452 126.2262 53.2593 43.3807 175.9109 43 V 4.3367 8.8979 124.2615 61.0922 34.0672 173.8372 44 E 5.1179 8.7035 127.2007 55.2264 31.4650 175.1133 45 H 5.0902 8.9736 119.7720 53.4645 33.5079 173.1350 46 A 4.3046 8.5730 123.9126 52.1111 19.1945 178.7130 47 E 3.8445 8.8578 120.8789 59.3780 29.7469 179.5518 48 A 4.0055 7.8620 120.2665 54.7006 18.5131 177.5362 49 N 4.7895 8.0333 111.4172 53.3271 38.8935 174.7558 50 M 4.7372 7.8758 118.1676 53.3239 35.1656 174.9413 51 S 4.6590 8.5476 116.4361 56.5030 65.2216 172.8595 52 I 4.3888 8.2787 128.0927 60.9538 38.9240 175.8014 53 S 3.7496 9.5834 119.4602 59.7603 60.3197 173.2796 54 G 3.9185 8.3385 103.9900 46.0886 0.0000 174.3891 55 R 4.0762 7.9075 118.8851 55.6399 30.6111 176.1266 56 I 4.2703 8.0758 123.3753 59.4777 38.1150 175.1922 57 H 3.9641 8.7528 125.7538 57.7439 30.2132 175.0735 58 G 3.9430 8.4490 113.8704 45.7979 0.0000 172.9923 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 P 0.00 4.50 0.00 2.12 2.06 0.00 3.53 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 2 F 8.81 5.29 0.00 2.95 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 3 I 9.08 4.18 1.80 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 1.07 0.34 0.82 0.00 0.00 4 E 8.28 4.72 0.00 1.28 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.13 0.00 5 C 8.92 4.72 0.00 2.80 2.75 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 6 H 8.87 5.46 0.00 3.04 3.29 0.00 5.64 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.84 4.86 1.88 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 1.15 0.88 0.91 0.00 0.00 8 A 8.56 4.79 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 9 T 8.07 4.09 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 1.26 0.00 0.00 10 G 9.03 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 11 L 7.74 4.12 0.00 1.64 1.61 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.38 4.39 0.00 4.04 3.99 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 0.00 0.00 0.00 13 V 8.36 3.53 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 1.01 0.00 0.00 0.93 0.00 0.00 14 A 7.96 4.01 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 15 R 8.00 3.88 0.00 2.02 1.99 0.00 3.29 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 16 K 8.28 4.01 0.00 1.94 1.85 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.69 7.81 17 Q 8.52 3.99 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.55 0.00 18 Q 8.33 3.96 0.00 2.26 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 19 L 8.04 3.93 0.00 1.90 1.83 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.76 3.69 2.02 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 1.53 0.73 0.92 0.00 0.00 21 R 8.07 3.94 0.00 2.00 1.99 0.00 3.13 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 22 D 8.43 4.32 0.00 2.81 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 23 V 8.20 3.56 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 1.01 0.00 0.00 0.91 0.00 0.00 24 I 7.82 3.68 2.05 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 1.42 0.68 0.92 0.00 0.00 25 D 8.27 4.30 0.00 2.76 2.80 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 26 V 8.00 3.57 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 0.97 0.00 0.00 0.93 0.00 0.00 27 T 8.04 3.83 4.39 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 1.22 0.00 0.00 28 N 8.28 4.51 0.00 2.82 3.03 0.00 0.00 6.77 6.67 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 29 K 8.24 4.19 0.00 1.75 1.85 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.72 1.62 7.81 30 S 7.62 4.58 0.00 3.89 3.90 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 0.00 0.00 0.00 0.00 31 I 7.79 4.35 1.87 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 1.42 0.68 0.91 0.00 0.00 32 G 8.31 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 33 S 7.76 4.14 0.00 3.91 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.72 4.61 0.00 2.71 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 35 P 0.00 4.25 0.00 2.22 2.11 0.00 3.65 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 36 K 8.72 4.24 0.00 1.97 1.87 0.00 1.64 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.48 1.38 7.81 37 I 7.89 4.46 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 1.39 0.73 0.91 0.00 0.00 38 I 7.66 4.62 2.00 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 1.25 0.80 0.94 0.00 0.00 39 N 9.20 5.19 0.00 2.79 2.74 0.00 0.00 6.02 7.36 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 40 V 8.51 5.01 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 0.82 0.00 0.00 0.96 0.00 0.00 41 L 8.91 4.83 0.00 2.08 1.57 0.98 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 42 L 8.65 4.96 0.00 1.55 1.56 0.94 0.86 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 43 V 8.90 4.34 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 1.06 0.00 0.00 0.94 0.00 0.00 44 E 8.70 5.12 0.00 1.83 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 2.21 2.28 0.00 45 H 8.97 5.09 0.00 3.04 3.13 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.57 4.30 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 47 E 8.86 3.84 0.00 1.72 1.71 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 2.36 2.22 0.00 48 A 7.86 4.01 1.27 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 49 N 8.03 4.79 0.00 2.87 2.84 0.00 0.00 6.77 7.27 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 50 M 7.88 4.74 0.00 1.95 1.90 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.35 0.00 51 S 8.55 4.66 0.00 3.77 3.69 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 0.00 0.00 0.00 0.00 52 I 8.28 4.39 1.87 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 1.41 1.09 0.91 0.00 0.00 53 S 9.58 3.75 0.00 3.97 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 54 G 8.34 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 R 7.91 4.08 0.00 1.96 1.88 0.00 3.15 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 56 I 8.08 4.27 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 1.30 0.81 0.92 0.00 0.00 57 H 8.75 3.96 0.00 3.11 3.24 0.00 5.74 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 G 8.45 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 0.00 0.00 0.00