NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5604 8.1627 120.2806 55.1645 34.6512 173.5040 2 K 4.8848 8.3108 121.1149 52.9293 35.5952 169.8572 3 V 4.6605 9.3564 126.7821 60.3424 35.9022 173.0996 4 M 4.9635 9.2455 124.2361 53.9679 34.3605 174.7941 5 I 4.5137 8.8921 129.3030 60.8819 38.4533 175.2532 6 R 4.8634 8.9013 127.3223 54.6472 31.9416 176.0237 7 K 5.0519 8.6373 121.6547 55.1020 36.0076 175.2914 8 T 4.6624 8.6465 118.4973 61.5025 72.8754 174.3119 9 A 4.1530 8.8177 124.9014 55.5021 18.3171 178.7711 10 T 4.3334 7.7647 103.2015 62.6573 70.4081 175.6134 11 G 3.6987 7.7516 111.3426 45.4357 0.0000 171.8790 12 H 5.0860 8.6695 119.5606 54.1488 32.5419 172.4827 13 S 5.2113 9.2195 119.0132 56.5160 67.4067 173.1413 14 A 4.8792 8.8878 124.2679 50.3305 22.0342 174.3766 15 Y 4.8830 9.1239 125.1825 55.8136 40.5127 175.4465 16 V 3.7742 8.7504 128.5961 61.6838 31.0159 176.3785 17 A 3.2682 7.8861 130.6683 54.6921 18.3180 179.9784 18 K 4.1007 7.8729 112.7045 58.7061 31.9565 177.2011 19 K 4.2051 7.2870 117.9259 54.9284 33.4979 175.5264 20 D 4.1086 7.5812 116.0714 55.5223 40.2390 172.4311 21 L 4.3936 6.8313 116.9392 53.1025 43.3903 174.4724 22 E 5.2107 8.8286 128.0343 54.6000 31.2855 174.3875 23 E 4.8342 8.9478 127.0242 54.1216 34.1112 174.3700 24 L 4.6792 8.6144 123.6532 54.6262 43.2043 176.6209 25 I 4.3037 8.5404 124.7433 61.3064 36.6770 175.9480 26 V 4.2382 8.5294 120.6366 61.5850 33.4863 176.1656 27 E 4.7342 8.2420 120.8342 54.5443 32.7471 174.4588 28 M 5.0236 8.4959 124.6977 53.4975 35.6032 175.3097 29 E 4.0707 8.8481 122.7808 58.9772 29.8481 176.5331 30 N 5.0313 7.9296 117.6966 50.5933 41.2473 173.1495 31 P 4.1343 0.0000 0.0000 66.0603 30.8465 176.8206 32 A 4.0800 7.2864 120.7332 51.9128 18.2063 177.4614 33 L 4.3580 6.6921 125.9372 55.6906 45.2657 174.9215 34 W 4.2986 9.0127 120.6515 56.3098 30.1015 176.0252 35 G 4.2325 8.2242 116.6655 46.3434 0.0000 173.1160 36 G 4.3971 7.1866 110.1737 44.7390 0.0000 172.9150 37 K 5.3113 7.6214 116.8689 54.3206 37.0451 176.4217 38 V 4.8521 8.7180 119.9647 60.3359 35.4292 174.3048 39 T 5.0813 8.8115 118.8134 61.9056 71.7616 174.0543 40 L 4.9142 9.0794 126.6387 53.7439 43.2153 177.9229 41 A 4.0923 8.7416 123.0330 54.2641 18.2857 178.1955 42 N 4.5075 8.0097 113.0289 53.8366 39.4459 175.6465 43 G 4.1319 8.1967 105.8651 45.1092 0.0000 174.0627 44 W 4.2470 8.2720 120.0254 56.8232 30.5910 174.9743 45 Q 5.1966 8.5506 121.9640 54.0535 31.3446 174.1917 46 L 5.1408 8.9386 125.2431 53.1765 45.5209 174.6779 47 E 4.7269 9.1132 127.4841 55.3684 30.9231 175.1233 48 L 4.5142 8.8354 126.7534 52.2736 43.4619 175.8228 49 P 4.2740 0.0000 0.0000 63.2484 31.4270 173.7351 50 A 3.9215 9.1009 125.9584 51.9774 15.5066 175.9875 51 M 4.1497 8.1521 114.1547 55.5489 33.9268 175.0276 52 A 3.4073 8.3938 126.1934 51.6244 15.6402 175.6707 53 A 4.2039 7.9851 124.1657 54.2809 18.7757 176.8714 54 D 5.3086 7.6938 114.8105 52.0888 41.7966 174.5591 55 T 3.9614 8.5336 122.4995 62.9613 68.9385 172.9968 56 P 4.6125 0.0000 0.0000 63.2802 31.9805 175.2431 57 L 4.8769 7.3079 118.2039 53.4166 43.8985 173.8296 58 P 4.6001 0.0000 0.0000 63.3896 31.6509 175.2252 59 I 4.5663 8.9340 125.8213 59.3562 40.7561 174.2562 60 T 5.0328 8.5946 124.8994 62.2766 70.2405 173.7296 61 V 4.8066 8.7231 119.8288 58.8610 36.2507 174.7779 62 E 5.2885 9.0548 118.8269 56.1032 30.4141 176.2044 63 A 4.4602 8.3219 123.7998 51.2286 20.3692 177.2049 64 R 4.4518 8.4028 123.0033 54.8591 32.3580 173.9568 65 K 4.7680 8.5442 125.3546 55.9600 34.6049 176.8547 66 L 4.2870 8.0338 120.4717 54.8979 41.4416 176.4832 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 8.16 4.56 0.00 2.01 2.20 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.56 0.00 2 K 8.31 4.88 0.00 1.88 1.60 0.00 1.72 0.00 0.00 1.89 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.55 7.81 3 V 9.36 4.66 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 0.74 0.00 0.00 0.91 0.00 0.00 4 M 9.25 4.96 0.00 2.36 2.14 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.57 0.00 5 I 8.89 4.51 2.06 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.33 0.94 0.00 0.00 6 R 8.90 4.86 0.00 1.79 1.85 0.00 3.19 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 7 K 8.64 5.05 0.00 1.64 1.77 0.00 1.79 0.00 0.00 1.87 0.00 0.00 3.25 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.45 1.63 7.81 8 T 8.65 4.66 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 1.20 0.00 0.00 9 A 8.82 4.15 1.28 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 0.00 0.00 10 T 7.76 4.33 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 11 G 7.75 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 0.00 0.00 0.00 12 H 8.67 5.09 0.00 3.11 3.20 0.00 5.76 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 S 9.22 5.21 0.00 3.76 3.72 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 14 A 8.89 4.88 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.12 4.88 0.00 2.99 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.75 3.77 1.73 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 0.76 0.00 0.00 0.86 0.00 0.00 17 A 7.89 3.27 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 18 K 7.87 4.10 0.00 1.85 1.94 0.00 1.54 0.00 0.00 1.61 0.00 0.00 3.12 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.43 1.45 7.81 19 K 7.29 4.21 0.00 1.55 1.36 0.00 0.71 0.00 0.00 0.62 0.00 0.00 2.69 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.03 1.11 7.81 20 D 7.58 4.11 0.00 2.83 2.70 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 21 L 6.83 4.39 0.00 1.46 1.12 0.76 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.83 5.21 0.00 2.26 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 2.23 2.37 0.00 23 E 8.95 4.83 0.00 2.05 1.69 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 2.27 2.36 0.00 24 L 8.61 4.68 0.00 1.66 1.58 0.93 0.80 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 25 I 8.54 4.30 1.98 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.57 0.91 0.00 0.00 26 V 8.53 4.24 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 0.68 0.00 0.00 0.95 0.00 0.00 27 E 8.24 4.73 0.00 2.03 1.72 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 2.18 2.29 0.00 28 M 8.50 5.02 0.00 1.91 1.94 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 29 E 8.85 4.07 0.00 2.32 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 2.33 2.32 0.00 30 N 7.93 5.03 0.00 2.84 2.84 0.00 0.00 7.03 7.75 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 31 P 0.00 4.13 0.00 2.23 2.22 0.00 3.83 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 32 A 7.29 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 33 L 6.69 4.36 0.00 1.71 1.95 1.01 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 34 W 9.01 4.30 0.00 3.30 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 35 G 8.22 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 0.00 0.00 0.00 0.00 36 G 7.19 4.40 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 0.00 37 K 7.62 5.31 0.00 1.85 1.85 0.00 1.13 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.27 1.60 7.81 38 V 8.72 4.85 1.95 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 0.84 0.00 0.00 0.90 0.00 0.00 39 T 8.81 5.08 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 1.26 0.00 0.00 40 L 9.08 4.91 0.00 1.61 1.61 0.99 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.74 4.09 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 N 8.01 4.51 0.00 2.67 2.85 0.00 0.00 7.29 7.96 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 43 G 8.20 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 44 W 8.27 4.25 0.00 3.24 3.19 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 45 Q 8.55 5.20 0.00 2.03 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.26 0.00 46 L 8.94 5.14 0.00 1.64 1.40 0.85 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 47 E 9.11 4.73 0.00 2.01 1.83 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 2.29 2.39 0.00 48 L 8.84 4.51 0.00 1.44 1.39 -0.21 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.27 0.00 2.25 2.22 0.00 4.19 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 2.23 2.19 0.00 50 A 9.10 3.92 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.15 4.15 0.00 1.92 1.74 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 1.64 1.84 0.00 52 A 8.39 3.41 1.01 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 0.00 0.00 0.00 0.00 0.00 0.00 53 A 7.99 4.20 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.69 5.31 0.00 2.69 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.53 3.96 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 56 P 0.00 4.61 0.00 2.18 2.16 0.00 3.72 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 1.96 1.93 0.00 57 L 7.31 4.88 0.00 1.61 1.63 0.94 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 58 P 0.00 4.60 0.00 2.13 2.16 0.00 3.75 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 59 I 8.93 4.57 1.97 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.76 1.34 0.00 0.00 60 T 8.59 5.03 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 1.31 0.00 0.00 61 V 8.72 4.81 2.26 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 1.07 0.00 0.00 1.03 0.00 0.00 62 E 9.05 5.29 0.00 2.06 1.99 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 2.33 2.19 0.00 63 A 8.32 4.46 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 64 R 8.40 4.45 0.00 1.85 1.76 0.00 3.16 0.00 0.00 3.39 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 65 K 8.54 4.77 0.00 1.71 1.81 0.00 1.17 0.00 0.00 1.44 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.13 1.40 7.81 66 L 8.03 4.29 0.00 1.44 1.51 0.91 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00