NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2529 8.1593 115.2319 62.1817 68.6220 172.8244 2 T 4.3818 7.7302 114.7012 58.5179 73.0117 173.4392 3 W 4.4183 8.5256 121.3081 59.8999 29.3629 179.6346 4 E 4.0673 8.4106 118.6473 59.3629 29.1618 178.5933 5 A 4.0817 8.5181 121.2886 54.7153 18.3602 179.3541 6 W 4.1498 8.7635 127.3542 60.8513 30.8663 177.6642 7 D 4.3667 8.8807 119.3874 57.6336 40.3361 179.3495 8 R 3.9473 7.9884 115.8703 59.1557 29.4702 178.7153 9 A 4.0482 8.3803 121.8869 54.8746 18.3071 179.7011 10 I 3.4924 7.7291 118.1002 64.5456 37.2522 178.5537 11 A 3.9445 7.9241 121.4731 55.0827 18.0222 179.2498 12 E 3.8623 8.1990 117.8991 59.3786 29.7521 178.4694 13 Y 3.8938 8.2392 116.7083 60.4150 37.9851 177.8001 14 A 3.9737 8.4244 122.0308 55.2057 18.6633 179.5098 15 A 3.9184 7.8471 119.0924 55.2816 18.4589 179.6213 16 R 3.7996 7.7187 116.8729 59.8591 30.0009 178.8347 17 I 3.8512 7.8159 119.4012 64.2840 37.1404 178.2657 18 E 3.9563 8.3837 119.3350 59.1673 29.2191 179.2569 19 A 4.0185 7.9702 120.8396 55.0125 18.4332 179.7082 20 L 3.9696 8.0604 117.5967 57.8432 41.6819 179.8206 21 I 3.7036 8.0002 119.9306 64.4544 37.0923 178.4985 22 R 4.1958 8.3517 120.0065 58.7831 29.9390 179.0325 23 A 4.0390 8.0767 120.1005 54.9022 18.3455 179.5452 24 A 4.0266 8.2632 119.5350 55.1489 18.1029 179.8677 25 Q 3.9465 8.6600 117.2132 58.9312 28.7373 178.4721 26 E 3.9352 8.2122 120.3105 59.5292 29.7173 178.7535 27 Q 3.9981 8.1578 119.4263 59.0389 28.9750 178.1889 28 Q 3.9019 8.1241 120.9009 58.8643 29.1769 177.3028 29 E 4.0512 8.1197 120.4451 59.6172 29.5535 179.1737 30 K 4.0287 8.0186 118.1766 59.4509 32.0683 179.1609 31 N 4.3256 8.4326 117.0333 56.4560 38.5078 177.3650 32 E 4.0061 8.4809 119.8393 59.0384 29.4725 179.3822 33 A 3.9364 7.9183 120.2847 55.2484 18.5771 179.6505 34 A 4.0359 8.2607 119.2584 54.6815 18.1544 179.7076 35 L 3.8952 7.7111 118.7904 58.2953 42.2893 178.6463 36 R 4.0011 7.6165 117.1273 59.2945 29.9844 177.8944 37 E 4.0781 7.8613 118.4256 59.0699 29.8439 176.9088 38 L 4.2874 7.7179 122.1106 55.0910 41.8317 176.8154 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 T 8.16 4.25 4.22 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 0.00 0.00 0.00 1.10 0.00 0.00 2 T 7.73 4.38 4.27 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 1.20 0.00 0.00 3 W 8.53 4.42 0.00 3.52 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.41 4.07 0.00 2.15 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 0.00 2.45 2.46 0.00 5 A 8.52 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 6 W 8.76 4.15 0.00 3.38 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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 8.88 4.37 0.00 3.16 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 8 R 7.99 3.95 0.00 2.02 2.22 0.00 2.80 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.66 0.00 9 A 8.38 4.05 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 10 I 7.73 3.49 1.57 0.00 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.04 0.66 0.00 0.00 11 A 7.92 3.94 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 12 E 8.20 3.86 0.00 2.03 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 0.00 1.87 2.15 0.00 13 Y 8.24 3.89 0.00 3.12 2.96 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 14 A 8.42 3.97 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.85 3.92 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 16 R 7.72 3.80 0.00 1.82 2.14 0.00 2.86 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 17 I 7.82 3.85 2.08 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 1.57 0.59 0.93 0.00 0.00 18 E 8.38 3.96 0.00 2.12 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 2.56 2.46 0.00 19 A 7.97 4.02 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.06 3.97 0.00 1.88 1.73 0.97 0.62 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 21 I 8.00 3.70 2.00 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 0.65 0.96 0.00 0.00 22 R 8.35 4.20 0.00 2.00 1.99 0.00 3.13 0.00 0.00 3.26 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 23 A 8.08 4.04 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 24 A 8.26 4.03 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 25 Q 8.66 3.95 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 26 E 8.21 3.94 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 27 Q 8.16 4.00 0.00 2.29 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 28 Q 8.12 3.90 0.00 2.35 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.52 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 29 E 8.12 4.05 0.00 2.33 1.94 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 2.31 2.51 0.00 30 K 8.02 4.03 0.00 2.01 1.84 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.64 7.81 31 N 8.43 4.33 0.00 2.99 2.86 0.00 0.00 7.03 8.22 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 32 E 8.48 4.01 0.00 2.15 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 2.46 0.00 33 A 7.92 3.94 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.26 4.04 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 35 L 7.71 3.90 0.00 1.91 1.70 0.92 1.02 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 36 R 7.62 4.00 0.00 1.89 2.24 0.00 3.31 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 37 E 7.86 4.08 0.00 2.17 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 0.00 2.32 2.39 0.00 38 L 7.72 4.29 0.00 1.67 1.57 0.92 0.92 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