NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3772 8.3044 120.3488 55.1715 33.1245 174.4931 2 V 3.4486 8.4935 127.0408 63.3829 31.8156 173.9173 3 I 4.5308 7.8699 115.4072 58.8880 40.1105 174.7398 4 A 4.5091 9.1960 129.1637 50.8334 20.4331 177.9453 5 T 3.9102 8.4031 115.3802 67.1005 68.1816 176.6006 6 D 4.6573 7.9855 118.2786 56.4353 41.0183 177.5830 7 D 4.5470 7.7418 118.4091 55.9210 41.1391 176.6841 8 L 4.7673 8.2055 119.6765 55.4585 44.1793 176.4899 9 E 5.1111 7.9878 113.9182 54.6792 32.9237 174.9692 10 V 4.4537 9.0136 121.6927 60.7265 34.2213 174.7698 11 A 4.3251 8.6117 128.7196 52.3242 18.7897 176.8248 12 C 4.2008 8.7369 124.2197 58.9154 31.9937 173.1034 13 P 4.2569 0.0000 0.0000 65.5163 31.4010 177.6278 14 K 4.0921 8.1474 119.5915 58.4483 32.5018 176.8526 15 C 4.6348 7.9330 110.4465 57.0103 30.5988 173.4359 16 E 3.6451 8.7623 118.7536 57.9015 26.9173 175.5461 17 R 4.4078 8.0177 116.9681 56.3696 29.4086 177.7042 18 A 4.2331 7.5537 119.5252 51.8724 19.2013 177.6394 19 G 3.7744 8.5811 108.5592 46.4625 0.0000 174.0842 20 E 4.8488 7.8665 117.9546 54.8560 31.0594 175.4108 21 I 4.3908 8.7613 121.1906 60.4058 39.4973 175.3900 22 E 3.7394 9.8961 122.5552 56.7597 28.6680 174.5622 23 G 3.8030 7.1955 109.7855 46.8743 0.0000 175.4144 24 T 4.3329 7.6681 112.0167 59.0502 70.2263 172.4056 25 P 4.6386 0.0000 0.0000 62.8014 32.0166 175.9180 26 C 4.2275 8.5330 122.4143 58.6462 31.7429 172.7467 27 P 4.3898 0.0000 0.0000 64.4504 31.0818 176.2822 28 A 4.4486 7.7516 121.3556 54.0727 20.4016 177.5878 29 C 4.3494 7.9599 108.0413 57.1342 30.6371 173.3017 30 S 3.8486 9.0238 113.2408 59.5329 59.7223 171.4564 31 G 4.2008 7.8910 110.7716 45.8609 0.0000 174.4048 32 K 4.0061 7.8525 118.0655 57.2186 32.5558 178.9176 33 G 3.9579 8.8261 106.4093 45.4175 0.0000 172.8438 34 V 4.9480 7.2344 117.1818 60.1027 35.0486 174.4864 35 I 4.6008 8.8084 122.5651 59.3483 40.2003 175.2419 36 L 4.7296 8.6348 127.1293 55.0061 42.5227 176.9760 37 T 4.3735 8.7773 113.1729 60.5883 70.9610 175.5393 38 A 4.0555 8.8608 123.2889 55.7077 18.1482 179.6379 39 Q 4.0317 8.1719 117.2966 59.3749 29.2050 178.6045 40 G 3.6336 8.0661 106.3291 47.8097 0.0000 175.0167 41 Y 4.2611 8.4867 122.3318 60.8012 38.8270 178.2048 42 T 3.7769 8.0972 116.5548 66.8005 68.5996 176.3668 43 L 4.0498 7.8347 120.5591 57.8511 41.5861 179.5461 44 L 3.9652 7.9413 120.1371 58.0513 42.0758 178.4449 45 D 4.1744 8.2786 119.2778 57.3426 40.7832 178.5399 46 F 4.1724 8.1551 120.7353 61.4668 39.3477 177.0365 47 I 3.4467 7.9564 119.1798 64.6523 36.7565 178.3155 48 Q 3.9514 7.9651 117.3909 59.1379 28.5610 179.1592 49 K 4.0069 7.8381 118.5227 58.6953 32.2810 177.5996 50 H 4.6451 7.5539 113.9620 55.4360 30.5121 174.3273 51 L 3.9953 7.8879 122.3868 56.1277 42.2220 175.9912 52 N 4.2193 8.6634 121.4373 54.4056 36.2303 174.3988 53 K 4.1649 7.7014 122.6058 56.5742 32.3596 176.3963 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 4.38 0.00 1.99 2.05 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 2.48 2.67 0.00 2 V 8.49 3.45 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 0.84 0.00 0.00 0.93 0.00 0.00 3 I 7.87 4.53 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 1.35 0.86 0.91 0.00 0.00 4 A 9.20 4.51 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 5 T 8.40 3.91 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 1.28 0.00 0.00 6 D 7.99 4.66 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 7 D 7.74 4.55 0.00 2.81 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 8 L 8.21 4.77 0.00 1.73 1.70 0.94 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 9 E 7.99 5.11 0.00 1.89 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 0.00 2.19 2.38 0.00 10 V 9.01 4.45 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 0.87 0.00 0.00 0.93 0.00 0.00 11 A 8.61 4.33 1.24 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 0.00 0.00 0.00 12 C 8.74 4.20 0.00 3.06 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.26 0.00 2.21 2.16 0.00 3.81 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 1.98 1.94 0.00 14 K 8.15 4.09 0.00 1.71 1.87 0.00 1.60 0.00 0.00 1.75 0.00 0.00 3.11 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.48 7.81 15 C 7.93 4.63 0.00 3.17 3.08 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 0.00 0.00 0.00 0.00 16 E 8.76 3.65 0.00 2.03 2.02 0.00 0.00 0.00 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 2.40 0.00 17 R 8.02 4.41 0.00 1.97 2.20 0.00 3.37 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 18 A 7.55 4.23 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 19 G 8.58 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 20 E 7.87 4.85 0.00 1.94 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 21 I 8.76 4.39 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 1.35 1.52 0.91 0.00 0.00 22 E 9.90 3.74 0.00 2.13 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.34 0.00 23 G 7.20 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 24 T 7.67 4.33 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 25 P 0.00 4.64 0.00 2.06 2.04 0.00 3.68 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 26 C 8.53 4.23 0.00 2.99 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 27 P 0.00 4.39 0.00 2.21 2.16 0.00 3.79 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 28 A 7.75 4.45 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 29 C 7.96 4.35 0.00 3.28 3.15 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 0.00 0.00 0.00 0.00 30 S 9.02 3.85 0.00 3.92 3.85 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 0.00 0.00 0.00 31 G 7.89 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 K 7.85 4.01 0.00 1.99 1.87 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.39 7.81 33 G 8.83 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 V 7.23 4.95 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 0.72 0.00 0.00 1.04 0.00 0.00 35 I 8.81 4.60 1.86 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 1.22 0.90 0.88 0.00 0.00 36 L 8.63 4.73 0.00 1.54 1.68 0.98 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.78 4.37 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 1.23 0.00 0.00 38 A 8.86 4.06 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 39 Q 8.17 4.03 0.00 2.19 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.44 2.51 0.00 40 G 8.07 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Y 8.49 4.26 0.00 3.14 3.18 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 42 T 8.10 3.78 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 43 L 7.83 4.05 0.00 1.74 1.77 0.92 0.61 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 44 L 7.94 3.97 0.00 2.00 1.75 0.99 1.32 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 45 D 8.28 4.17 0.00 2.67 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.16 4.17 0.00 3.17 3.31 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 47 I 7.96 3.45 1.87 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.86 0.88 0.00 0.00 48 Q 7.97 3.95 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.00 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 49 K 7.84 4.01 0.00 1.70 1.49 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.49 7.81 50 H 7.55 4.65 0.00 2.67 3.07 0.00 5.62 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.89 4.00 0.00 1.72 1.49 0.89 0.86 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 52 N 8.66 4.22 0.00 2.85 2.85 0.00 0.00 6.91 7.61 0.00 0.00 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 K 7.70 4.16 0.00 1.76 1.66 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.52 1.57 7.81