NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 M 4.3734 8.1585 120.3269 54.9308 33.3124 175.3041 20 A 3.8877 8.5410 125.3242 55.3271 18.0295 178.3840 21 K 3.8773 8.1917 115.7817 59.6770 32.5691 177.3545 22 K 4.1503 7.8689 118.4574 58.8383 32.0390 178.3653 23 D 4.4725 8.7344 119.7412 56.1665 40.7389 176.9745 24 I 4.3237 6.9273 109.3544 60.4756 37.8420 175.0154 25 M 4.1331 7.5518 121.1999 55.8307 32.5421 176.4398 26 G 4.1331 8.3239 115.6503 44.3038 0.0000 171.8726 27 D 4.9114 8.3667 117.6964 52.2909 44.1061 175.2622 28 K 4.5816 8.4743 123.3837 54.8660 34.3859 175.2480 29 T 4.7019 8.1341 112.8794 59.8987 70.9439 173.8903 30 V 4.5140 7.9192 121.2672 60.3389 34.5550 174.1276 31 R 4.5853 8.4194 119.3480 54.4830 32.0756 176.0641 32 V 4.4994 7.9988 115.1480 58.6869 35.0577 176.0961 33 R 3.8813 8.5330 119.6299 57.1572 31.3519 177.8488 34 A 4.0248 8.5942 124.9410 55.2814 18.7370 179.7419 35 D 4.3577 8.0727 117.2146 56.3565 39.3373 178.7951 36 L 3.9549 7.8379 120.0613 57.9939 41.8336 178.3504 37 H 4.0791 8.2022 118.2204 59.8573 29.6972 176.6358 38 H 4.3215 8.5996 120.1254 59.1507 29.5857 177.1560 39 I 3.6194 7.6344 121.2636 64.5333 36.9088 178.5066 40 I 3.6704 7.4240 120.3886 64.1186 37.0726 178.0455 41 K 3.7396 8.3032 120.9270 59.8913 31.8719 178.7408 42 I 3.7239 7.6096 119.5592 64.1756 37.1260 177.9938 43 E 3.9041 8.4340 120.7941 59.4314 29.4501 178.9975 44 T 4.1530 8.5553 111.3894 64.4038 68.6599 176.4258 45 A 3.9812 7.7051 122.3561 54.3225 18.3537 179.6216 46 K 4.1582 7.8394 116.4511 58.9696 32.4237 178.5648 47 N 4.8484 8.4452 114.1909 52.6695 39.2627 175.9944 48 G 3.9339 8.0799 103.1860 46.3285 0.0000 174.3208 49 G 3.8819 9.7682 105.1702 44.5148 0.0000 172.1618 50 N 4.9634 8.0791 114.7454 50.3099 41.4768 175.3144 51 V 3.5234 8.2615 119.1457 65.9799 31.4749 177.4734 52 K 3.8540 8.0506 118.7269 59.7553 31.6576 177.9445 53 E 3.9194 8.3133 118.2252 59.8086 29.3444 179.7044 54 V 3.6675 7.5572 117.4536 66.1497 31.7192 177.7920 55 M 4.0656 8.3945 118.8965 58.6144 31.7242 178.6063 56 D 4.2949 8.3963 119.0102 57.3768 41.0100 178.4714 57 Q 3.9269 7.9863 119.6316 59.3023 28.9571 178.1833 58 A 3.9890 8.4630 122.0908 55.1287 18.3496 179.2310 59 L 4.0381 7.9364 118.4362 57.7244 42.1779 178.6315 60 E 3.9794 8.4565 119.6491 59.3833 29.6318 178.7233 61 E 4.0049 8.5341 118.7790 59.3122 29.3505 178.7531 62 Y 4.0160 7.8055 120.0363 60.6072 38.8420 177.7416 63 I 3.7762 8.2464 120.9614 64.3432 37.0268 178.2863 64 R 3.8652 8.1462 119.0207 59.1809 29.8595 178.3527 65 K 3.8018 7.5246 118.5862 59.1550 32.4083 177.7854 66 Y 4.6907 7.4095 113.6873 57.7176 39.0882 176.2609 67 L 4.7573 8.3257 122.1062 52.7399 42.8422 176.2728 68 P 4.2425 0.0000 0.0000 65.5376 31.9033 178.7449 69 D 4.4120 8.3379 117.3401 57.4907 40.6545 177.9408 70 K 4.2069 8.2315 115.7974 57.4707 32.5368 177.0739 71 L 4.2646 7.4505 123.5098 54.8084 41.6300 176.2896 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 19 M 8.16 4.37 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.49 0.00 20 A 8.54 3.89 1.34 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 0.00 0.00 21 K 8.19 3.88 0.00 1.74 1.91 0.00 1.75 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.52 7.81 22 K 7.87 4.15 0.00 1.82 1.92 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.53 7.81 23 D 8.73 4.47 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 24 I 6.93 4.32 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 1.38 0.61 0.91 0.00 0.00 25 M 7.55 4.13 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.53 0.00 26 G 8.32 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 27 D 8.37 4.91 0.00 2.62 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.47 4.58 0.00 1.67 1.67 0.00 1.62 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.45 7.81 29 T 8.13 4.70 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 1.21 0.00 0.00 30 V 7.92 4.51 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 0.74 0.00 0.00 0.91 0.00 0.00 31 R 8.42 4.59 0.00 1.77 1.84 0.00 3.29 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 32 V 8.00 4.50 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 0.73 0.00 0.00 0.94 0.00 0.00 33 R 8.53 3.88 0.00 1.85 2.10 0.00 3.12 0.00 0.00 3.34 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.73 0.00 34 A 8.59 4.02 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 35 D 8.07 4.36 0.00 2.91 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 36 L 7.84 3.95 0.00 1.90 1.77 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 37 H 8.20 4.08 0.00 3.20 3.54 0.00 5.59 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 H 8.60 4.32 0.00 3.38 3.44 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 I 7.63 3.62 2.06 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 1.51 0.67 0.89 0.00 0.00 40 I 7.42 3.67 1.96 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 1.61 0.91 0.88 0.00 0.00 41 K 8.30 3.74 0.00 1.78 1.94 0.00 1.48 0.00 0.00 1.61 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.54 7.81 42 I 7.61 3.72 1.89 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.48 0.87 0.00 0.00 43 E 8.43 3.90 0.00 2.03 2.00 0.00 0.00 0.00 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 44 T 8.56 4.15 4.33 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 1.20 0.00 0.00 45 A 7.71 3.98 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 46 K 7.84 4.16 0.00 2.00 1.86 0.00 1.63 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.55 7.81 47 N 8.45 4.85 0.00 2.71 2.77 0.00 0.00 7.26 7.69 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 48 G 8.08 3.93 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 0.00 0.00 0.00 49 G 9.77 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 50 N 8.08 4.96 0.00 2.87 2.89 0.00 0.00 5.60 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 51 V 8.26 3.52 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.90 0.00 0.00 52 K 8.05 3.85 0.00 1.86 1.80 0.00 1.80 0.00 0.00 1.82 0.00 0.00 3.10 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.54 7.81 53 E 8.31 3.92 0.00 2.22 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 2.41 2.40 0.00 54 V 7.56 3.67 2.23 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 0.98 0.00 0.00 0.99 0.00 0.00 55 M 8.39 4.07 0.00 2.03 2.26 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 2.63 2.92 0.00 56 D 8.40 4.29 0.00 2.83 2.72 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 57 Q 7.99 3.93 0.00 2.15 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 58 A 8.46 3.99 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 59 L 7.94 4.04 0.00 1.88 1.72 0.83 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.46 3.98 0.00 2.21 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 0.00 2.32 2.37 0.00 61 E 8.53 4.00 0.00 2.08 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 2.64 0.00 62 Y 7.81 4.02 0.00 3.05 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 63 I 8.25 3.78 1.96 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.94 0.96 0.00 0.00 64 R 8.15 3.87 0.00 2.02 2.02 0.00 3.24 0.00 0.00 3.13 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 65 K 7.52 3.80 0.00 1.65 1.16 0.00 1.48 0.00 0.00 0.73 0.00 0.00 2.58 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.38 1.05 7.81 66 Y 7.41 4.69 0.00 2.51 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 8.33 4.76 0.00 1.81 1.61 1.03 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 68 P 0.00 4.24 0.00 2.16 2.08 0.00 3.61 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.33 0.00 69 D 8.34 4.41 0.00 2.65 2.76 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 70 K 8.23 4.21 0.00 1.76 1.88 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.62 1.58 7.81 71 L 7.45 4.26 0.00 1.65 1.57 0.96 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00