NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Y 4.7426 8.1293 118.9123 56.2175 39.5820 174.8493 2 L 4.0690 7.7570 115.5095 54.3019 42.9278 173.0129 3 S 4.0670 9.2157 119.7807 59.0095 65.8404 176.7977 4 E 3.7101 8.6695 123.6590 59.4563 29.1307 179.9824 5 Q 4.0124 7.8756 117.5730 58.9674 29.1176 177.8232 6 D 4.3896 8.0576 119.3887 57.3341 40.8354 178.1309 7 F 3.9379 8.7565 121.4078 61.5166 39.2952 177.1112 8 V 3.4659 7.8837 116.9833 66.2423 31.0252 178.0635 9 S 4.0755 7.9035 111.7553 61.3342 62.3254 175.8772 10 V 3.8423 7.7218 119.6134 65.2617 31.4673 177.4634 11 F 4.0375 8.6659 117.1822 57.4742 38.9401 176.8450 12 G 3.8907 8.2225 105.3310 45.6569 0.0000 172.7478 13 I 4.6448 7.2674 112.4040 58.7184 40.6132 174.3691 14 T 4.6751 8.0881 112.2644 60.3202 71.1311 175.0943 15 R 4.1467 8.6856 124.8018 59.6132 29.8588 179.0676 16 G 3.5533 8.4103 105.5038 48.0116 0.0000 175.5512 17 Q 4.0240 8.1044 122.5084 58.4162 28.8824 177.9252 18 F 4.0719 8.6378 121.1585 61.3526 39.6508 176.8954 19 A 4.1055 8.1561 118.2689 54.4563 18.1521 178.8547 20 A 4.1447 7.4672 118.7018 53.6164 19.2641 178.3241 21 L 3.9615 7.1986 116.1435 53.8710 42.4468 175.9763 22 P 4.3272 0.0000 0.0000 62.8992 33.1646 177.9113 23 G 3.6441 8.7391 107.7888 47.5915 0.0000 176.1149 24 W 4.2216 8.0112 118.3280 59.5990 28.4257 178.3210 25 K 2.5946 6.0320 120.4674 58.1843 31.3384 178.4187 26 Q 3.4316 7.6979 118.8062 58.7464 28.5689 178.8225 27 L 4.1453 8.0325 120.6930 58.7655 40.3648 178.8043 28 Q 4.1065 8.6358 120.8677 59.5120 29.1689 178.4167 29 M 4.0695 8.2555 119.3607 58.3483 31.7408 178.6695 30 K 4.3312 8.4455 118.5752 59.9769 32.3414 179.5275 31 K 4.0010 8.4622 118.4791 59.4283 31.7066 179.3190 32 E 4.1269 8.5068 118.5247 59.5488 29.5112 179.2861 33 K 4.1719 7.8282 117.0176 58.5589 32.1785 178.8875 34 G 3.7539 8.1154 105.6800 45.1984 0.0000 174.3743 35 L 4.3552 6.5527 117.9980 54.5644 42.2732 175.7075 36 F 4.2925 8.5794 127.2828 59.8062 40.1759 174.2511 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 Y 8.13 4.74 0.00 3.13 3.14 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 0.00 0.00 0.00 2 L 7.76 4.07 0.00 1.76 1.56 0.98 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.22 4.07 0.00 4.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 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 8.67 3.71 0.00 1.83 1.78 0.00 0.00 0.00 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 2.16 0.00 5 Q 7.88 4.01 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 6 D 8.06 4.39 0.00 2.89 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 F 8.76 3.94 0.00 2.58 2.83 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 0.00 0.00 0.00 8 V 7.88 3.47 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 0.94 0.00 0.00 1.10 0.00 0.00 9 S 7.90 4.08 0.00 3.92 4.05 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 10 V 7.72 3.84 2.40 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 0.81 0.00 0.00 1.01 0.00 0.00 11 F 8.67 4.04 0.00 2.34 2.63 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 12 G 8.22 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 13 I 7.27 4.64 1.95 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.68 0.94 0.00 0.00 14 T 8.09 4.68 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 1.24 0.00 0.00 15 R 8.69 4.15 0.00 1.93 1.93 0.00 3.15 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 16 G 8.41 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Q 8.10 4.02 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.87 0.00 0.00 0.00 0.00 0.00 2.46 2.43 0.00 18 F 8.64 4.07 0.00 3.22 3.36 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 19 A 8.16 4.11 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.47 4.14 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 21 L 7.20 3.96 0.00 1.52 1.28 0.86 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 22 P 0.00 4.33 0.00 1.59 2.06 0.00 3.31 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 2.11 2.17 0.00 23 G 8.74 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.01 4.22 0.00 3.63 3.37 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 25 K 6.03 2.59 0.00 0.79 0.92 0.00 1.43 0.00 0.00 1.43 0.00 0.00 2.49 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.08 1.16 7.81 26 Q 7.70 3.43 0.00 2.05 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.42 0.00 0.00 0.00 0.00 0.00 1.16 1.88 0.00 27 L 8.03 4.15 0.00 2.00 2.09 0.96 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 28 Q 8.64 4.11 0.00 2.54 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.88 0.00 0.00 0.00 0.00 0.00 2.73 3.10 0.00 29 M 8.26 4.07 0.00 2.29 2.68 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.60 0.00 30 K 8.45 4.33 0.00 2.19 2.11 0.00 1.81 0.00 0.00 1.91 0.00 0.00 2.84 0.00 0.00 3.05 0.00 0.00 0.00 0.00 2.10 1.92 7.81 31 K 8.46 4.00 0.00 1.94 1.72 0.00 1.75 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.69 1.59 7.81 32 E 8.51 4.13 0.00 2.17 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 2.75 2.64 0.00 33 K 7.83 4.17 0.00 1.86 1.97 0.00 1.22 0.00 0.00 0.99 0.00 0.00 2.30 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.05 1.30 7.81 34 G 8.12 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 6.55 4.36 0.00 1.77 1.73 0.95 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 36 F 8.58 4.29 0.00 3.28 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00