NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3933 8.2893 120.3262 54.3237 33.2671 175.7736 2 P 4.2222 0.0000 0.0000 62.0026 29.8290 174.3315 3 R 4.8435 8.7775 126.4147 55.7814 33.1546 176.0568 4 L 5.0011 8.3023 119.0517 53.1363 45.4081 176.1273 5 K 4.6616 8.6623 125.6655 55.4224 31.8092 174.0858 6 V 4.6035 8.6342 118.9926 59.3736 33.9312 174.5346 7 K 4.6334 8.5163 126.6159 54.1841 34.9817 174.6512 8 L 4.1164 8.5653 129.7684 55.9133 42.0422 176.9481 9 V 3.9766 8.3919 119.6467 63.0333 32.1034 176.7445 10 K 4.0519 7.7247 121.3540 55.6818 32.8722 176.8287 11 S 4.1757 8.5349 121.1004 58.0144 62.9328 172.1678 12 P 4.1592 0.0000 0.0000 64.2497 31.9353 175.8497 13 I 3.6565 7.2336 120.4842 63.3199 37.2719 174.1759 14 G 4.1757 9.6417 117.5357 46.5529 0.0000 173.6985 15 Y 4.1591 8.0279 118.1597 56.7451 38.8582 175.1644 16 P 4.4083 0.0000 0.0000 62.5617 32.1544 177.8338 17 K 4.1046 8.9185 121.8977 59.7508 31.6249 178.8958 18 D 4.3824 8.1972 118.1903 56.7817 39.2097 178.5956 19 Q 4.1538 8.6084 119.4249 58.7447 28.9548 178.6497 20 K 4.0106 8.0962 118.6332 59.1986 31.8732 178.9263 21 A 4.1144 8.2017 120.1769 54.1795 18.5386 179.3896 22 A 4.0545 8.4953 120.3120 55.2410 18.6466 179.3343 23 L 3.8634 7.9615 117.0972 58.2687 41.5302 179.8859 24 K 4.1767 7.8135 116.8268 59.0757 32.1038 178.2905 25 A 4.1418 7.7664 120.5949 54.8284 18.3524 179.0963 26 L 4.2032 7.6977 116.4706 55.7525 41.9311 178.0648 27 G 3.9940 8.4002 106.3444 45.4769 0.0000 174.6139 28 L 5.4286 7.2409 120.4989 52.5339 41.7737 177.1764 29 R 4.0079 8.5159 124.5824 56.7249 28.8406 179.6393 30 R 3.9074 9.2805 122.9041 57.2864 31.3064 175.3257 31 L 4.1772 8.1851 123.2088 56.2225 42.7633 176.6389 32 Q 4.2200 8.6642 124.0447 55.3515 27.5882 173.1444 33 Q 4.1482 7.7147 120.6433 56.2341 29.9221 175.3276 34 E 4.7769 8.5389 125.5246 55.7378 31.7594 175.5524 35 R 4.3418 7.9403 117.4151 55.9084 34.4034 173.4559 36 V 5.3469 8.5107 119.3336 59.4379 33.8765 175.3001 37 L 4.5028 7.8791 122.9748 53.9029 45.6766 175.6849 38 E 4.3561 8.8205 122.9274 57.7290 30.0479 177.7885 39 D 4.6096 8.0042 105.4215 54.2312 43.1086 174.5315 40 T 4.5996 6.8145 112.8743 59.3527 71.9950 174.1395 41 P 4.2633 0.0000 0.0000 65.6146 31.4284 178.5502 42 A 4.0927 7.8932 119.2741 55.2032 18.4363 179.1957 43 I 3.6274 7.9344 118.0209 64.9827 37.1695 178.8742 44 R 4.0076 8.3352 118.2082 59.8996 29.9225 179.1998 45 G 3.8615 7.9573 103.7579 47.9183 0.0000 175.5277 46 N 4.2619 8.1126 118.1581 55.7521 38.7321 177.5477 47 V 3.5206 7.0583 117.5842 66.3582 31.7882 177.7591 48 E 4.0964 8.4895 118.4785 59.3252 29.2071 178.9764 49 K 3.9758 7.7499 118.2253 58.9018 32.3549 178.0574 50 V 4.0838 7.9791 110.2124 60.4097 31.4754 177.0886 51 A 3.9185 7.6483 124.4206 55.8099 18.2009 179.4042 52 H 4.7376 7.8818 106.7495 56.2223 28.6940 175.4220 53 L 4.6565 8.7010 120.3231 54.1220 44.1760 176.1919 54 V 4.8236 7.3786 116.8051 60.7989 34.9523 174.8514 55 R 4.4726 8.5375 125.5788 54.7061 31.8304 175.7947 56 V 4.3011 8.1888 126.7732 62.3126 33.6074 173.9053 57 E 4.7730 7.8811 120.9055 55.6241 33.5642 174.3294 58 V 4.5670 8.4519 123.8240 61.2946 33.5334 175.6887 59 V 4.0945 8.2227 126.1941 63.1781 31.3991 174.7989 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 8.29 4.39 0.00 2.02 2.17 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 2.50 2.54 0.00 2 P 0.00 4.22 0.00 2.25 2.11 0.00 3.81 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 1.98 2.05 0.00 3 R 8.78 4.84 0.00 1.78 1.96 0.00 3.34 0.00 0.00 3.29 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.68 0.00 4 L 8.30 5.00 0.00 1.54 1.51 0.97 0.92 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 5 K 8.66 4.66 0.00 1.85 1.70 0.00 1.61 0.00 0.00 1.82 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.40 7.81 6 V 8.63 4.60 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 0.62 0.00 0.00 1.01 0.00 0.00 7 K 8.52 4.63 0.00 1.80 1.61 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.95 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.29 1.46 7.81 8 L 8.57 4.12 0.00 1.78 1.62 0.94 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.39 3.98 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 0.72 0.00 0.00 0.94 0.00 0.00 10 K 7.72 4.05 0.00 1.69 1.61 0.00 1.85 0.00 0.00 1.70 0.00 0.00 3.23 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.44 7.81 11 S 8.53 4.18 0.00 3.86 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.16 0.00 2.21 2.16 0.00 3.74 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.93 0.00 13 I 7.23 3.66 1.92 0.00 0.00 0.88 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 0.55 0.95 0.00 0.00 14 G 9.64 4.18 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 0.00 15 Y 8.03 4.16 0.00 2.89 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 4.41 0.00 2.50 1.99 0.00 3.76 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 2.13 2.10 0.00 17 K 8.92 4.10 0.00 1.78 1.90 0.00 1.72 0.00 0.00 1.90 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.55 1.48 7.81 18 D 8.20 4.38 0.00 2.84 2.84 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 0.00 0.00 0.00 19 Q 8.61 4.15 0.00 2.29 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.83 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 20 K 8.10 4.01 0.00 1.81 1.87 0.00 1.69 0.00 0.00 1.84 0.00 0.00 3.24 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.54 1.55 7.81 21 A 8.20 4.11 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 22 A 8.50 4.05 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.96 3.86 0.00 1.81 1.73 0.86 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 24 K 7.81 4.18 0.00 1.77 1.84 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.45 7.81 25 A 7.77 4.14 1.39 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 0.00 0.00 0.00 26 L 7.70 4.20 0.00 1.81 1.72 0.90 0.97 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 27 G 8.40 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 0.00 0.00 0.00 28 L 7.24 5.43 0.00 1.61 1.61 0.89 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.52 4.01 0.00 1.79 1.58 0.00 3.23 0.00 0.00 3.22 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 30 R 9.28 3.91 0.00 1.86 1.87 0.00 3.11 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.64 0.00 31 L 8.19 4.18 0.00 1.58 1.55 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 8.66 4.22 0.00 2.17 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.60 0.00 0.00 0.00 0.00 0.00 2.22 2.37 0.00 33 Q 7.71 4.15 0.00 2.25 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.62 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 34 E 8.54 4.78 0.00 1.88 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 2.25 2.29 0.00 35 R 7.94 4.34 0.00 1.78 1.69 0.00 3.04 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.48 0.00 36 V 8.51 5.35 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 0.91 0.00 0.00 0.93 0.00 0.00 37 L 7.88 4.50 0.00 1.53 1.53 0.97 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.82 4.36 0.00 1.90 1.77 0.00 0.00 0.00 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 2.35 0.00 39 D 8.00 4.61 0.00 2.59 2.51 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 0.00 0.00 0.00 40 T 6.81 4.60 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 41 P 0.00 4.26 0.00 2.04 2.15 0.00 3.68 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 2.02 2.15 0.00 42 A 7.89 4.09 1.31 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 0.00 0.00 0.00 43 I 7.93 3.63 1.92 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 1.52 1.09 0.91 0.00 0.00 44 R 8.34 4.01 0.00 2.08 2.13 0.00 3.16 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 1.64 1.93 0.00 45 G 7.96 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 N 8.11 4.26 0.00 2.81 2.87 0.00 0.00 6.49 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 47 V 7.06 3.52 2.22 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 0.81 0.00 0.00 1.02 0.00 0.00 48 E 8.49 4.10 0.00 2.03 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 2.55 2.46 0.00 49 K 7.75 3.98 0.00 1.91 2.03 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.50 1.53 7.81 50 V 7.98 4.08 1.96 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 0.86 0.00 0.00 0.95 0.00 0.00 51 A 7.65 3.92 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 H 7.88 4.74 0.00 3.36 3.50 0.00 5.67 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.70 4.66 0.00 1.40 1.45 0.32 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.38 4.82 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 0.74 0.00 0.00 0.86 0.00 0.00 55 R 8.54 4.47 0.00 1.90 1.75 0.00 3.13 0.00 0.00 3.08 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.52 0.00 56 V 8.19 4.30 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 0.80 0.00 0.00 0.92 0.00 0.00 57 E 7.88 4.77 0.00 2.05 1.87 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 2.10 2.14 0.00 58 V 8.45 4.57 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 0.93 0.00 0.00 59 V 8.22 4.09 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 0.79 0.00 0.00 0.96 0.00 0.00