NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 V 3.9477 7.9133 120.3920 62.9122 31.7586 174.7376 6 R 4.2011 8.8860 127.1890 55.0551 27.8487 176.1190 7 I 4.6018 7.3677 114.6009 60.6038 40.7905 177.3263 8 K 3.6424 7.7697 121.2839 59.1585 32.3197 173.0803 9 L 3.6459 8.2076 131.2821 53.8496 40.5356 172.9494 10 L 4.3008 8.4060 125.9108 55.2389 42.3096 176.5906 11 L 4.8645 8.8401 124.7599 53.5104 45.4704 174.5172 12 E 5.0246 8.4158 119.0389 55.0317 34.4761 174.0394 13 C 5.3314 8.7599 120.3271 58.3911 31.0773 172.9238 14 T 4.5653 8.6430 119.3175 59.7844 68.7765 174.1761 15 E 3.8073 8.7110 128.3584 58.4793 30.0639 178.2140 16 C 3.9882 6.9543 108.9036 57.4509 27.8522 173.1654 17 K 5.2709 7.1869 128.0123 56.0941 36.3219 176.4828 18 R 4.8897 7.0576 121.5692 56.9653 28.3653 174.6832 19 R 4.0180 8.2257 112.9599 52.9459 31.7476 176.2263 20 N 3.9427 8.5355 109.4718 54.4582 39.7885 172.2058 21 Y 5.5491 8.5541 117.4279 56.8627 41.9636 173.1592 22 A 4.7482 8.6283 125.8842 48.0899 20.8227 174.6747 23 T 3.9600 8.1405 118.6636 62.2127 67.8095 172.5074 24 E 4.8909 7.7369 130.3655 56.0338 32.9217 177.3840 25 K 4.8849 8.6209 125.5919 56.3584 34.8011 175.2334 26 N 4.9204 8.1331 118.7501 51.7003 40.6990 176.6942 27 K 4.7292 8.6076 120.0019 63.6356 34.1666 177.6270 28 R 3.4685 7.3397 121.8834 59.4395 32.2046 176.4338 29 N 4.4364 7.5543 113.3798 56.2958 39.0214 176.2140 30 T 4.0456 7.9503 113.6665 63.5491 69.3143 171.0878 31 P 4.4396 0.0000 0.0000 62.3279 29.8562 174.6407 32 N 4.7725 8.9513 118.8957 52.3154 42.5751 172.7231 33 K 3.9094 9.7350 119.9649 57.3743 32.2455 175.5172 34 L 3.5960 8.5294 124.9053 54.9449 36.9711 173.5183 35 E 4.1253 9.0678 120.1335 55.8615 30.8437 175.7450 36 L 5.1354 8.3900 129.3422 53.3655 44.6213 175.3531 37 R 4.7586 8.7671 125.9903 54.4978 34.2093 174.0276 38 K 4.6487 8.6681 124.5571 56.6607 32.9049 175.8499 39 Y 4.7949 8.4355 124.1890 56.4110 42.7826 173.3243 40 C 4.4307 8.1667 126.7258 58.6272 32.2780 171.6257 41 P 4.7908 0.0000 0.0000 61.6710 32.3898 175.1901 42 W 5.2214 8.7242 127.1054 58.1074 31.6138 175.7602 43 C 4.2355 7.9676 115.8405 58.4125 26.7576 168.3612 44 R 3.7132 8.1968 127.8028 55.3065 28.4254 175.3768 45 K 4.4766 8.9104 124.6638 55.0505 33.7805 176.3362 46 H 5.2230 7.7904 132.0896 56.3618 29.2009 173.8555 47 T 4.7382 7.2153 110.1384 61.3637 72.9802 172.7227 48 V 4.2653 8.2000 115.2384 60.9770 33.7050 175.2948 49 H 5.6462 8.8955 116.6927 54.0171 33.3219 173.6361 50 R 4.8710 8.4261 119.7469 54.6077 33.4895 174.8556 51 E 4.7996 8.1149 121.9681 55.1084 31.2456 175.2627 52 V 4.3134 7.3400 118.3132 61.6791 33.9955 170.0584 53 K 4.2625 8.9601 114.9547 59.1072 34.1610 175.7305 54 I 3.4176 7.9002 123.6482 60.1739 38.4086 172.6259 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 5 V 7.91 3.95 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 0.97 0.00 0.00 0.93 0.00 0.00 6 R 8.89 4.20 0.00 2.09 2.19 0.00 3.20 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.71 0.00 7 I 7.37 4.60 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 1.30 1.21 0.91 0.00 0.00 8 K 7.77 3.64 0.00 1.65 1.99 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.42 7.81 9 L 8.21 3.65 0.00 2.00 1.73 0.92 0.62 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 10 L 8.41 4.30 0.00 1.56 1.60 0.92 0.95 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 11 L 8.84 4.86 0.00 1.67 1.57 0.90 0.83 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 12 E 8.42 5.02 0.00 2.01 1.93 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 2.30 2.43 0.00 13 C 8.76 5.33 0.00 2.61 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 14 T 8.64 4.57 4.19 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 1.15 0.00 0.00 15 E 8.71 3.81 0.00 1.81 1.76 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 2.23 2.20 0.00 16 C 6.95 3.99 0.00 3.15 3.27 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 17 K 7.19 5.27 0.00 1.93 1.82 0.00 1.90 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.17 1.09 7.81 18 R 7.06 4.89 0.00 1.99 1.34 0.00 2.91 0.00 0.00 3.26 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.30 0.00 19 R 8.23 4.02 0.00 2.12 2.01 0.00 3.18 0.00 0.00 3.35 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 20 N 8.54 3.94 0.00 2.94 2.67 0.00 0.00 6.67 7.56 0.00 0.00 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 Y 8.55 5.55 0.00 3.07 2.86 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 22 A 8.63 4.75 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.14 3.96 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 24 E 7.74 4.89 0.00 1.84 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 2.18 2.15 0.00 25 K 8.62 4.88 0.00 1.71 1.72 0.00 1.54 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.31 1.46 7.81 26 N 8.13 4.92 0.00 2.70 2.41 0.00 0.00 6.76 7.81 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 27 K 8.61 4.73 0.00 1.80 1.67 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.25 1.33 7.81 28 R 7.34 3.47 0.00 1.92 1.98 0.00 3.29 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 29 N 7.55 4.44 0.00 2.70 2.82 0.00 0.00 7.16 7.70 0.00 0.00 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 T 7.95 4.05 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 31 P 0.00 4.44 0.00 2.05 2.00 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 2.13 0.00 32 N 8.95 4.77 0.00 2.62 2.91 0.00 0.00 7.26 6.36 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 33 K 9.73 3.91 0.00 1.86 2.05 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.25 1.21 7.81 34 L 8.53 3.60 0.00 1.76 1.94 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 35 E 9.07 4.13 0.00 2.21 1.85 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 2.27 2.27 0.00 36 L 8.39 5.14 0.00 1.64 1.51 0.92 0.90 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 37 R 8.77 4.76 0.00 1.93 1.68 0.00 3.21 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 38 K 8.67 4.65 0.00 1.72 1.78 0.00 1.84 0.00 0.00 1.66 0.00 0.00 2.69 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.48 1.46 7.81 39 Y 8.44 4.79 0.00 2.95 2.43 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 40 C 8.17 4.43 0.00 2.87 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.79 0.00 2.14 2.22 0.00 3.76 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.32 0.00 42 W 8.72 5.22 0.00 3.16 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 43 C 7.97 4.24 0.00 3.00 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 44 R 8.20 3.71 0.00 1.93 2.03 0.00 3.27 0.00 0.00 3.26 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 45 K 8.91 4.48 0.00 1.95 2.03 0.00 1.94 0.00 0.00 1.85 0.00 0.00 3.16 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.44 7.81 46 H 7.79 5.22 0.00 3.41 3.53 0.00 5.47 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 7.22 4.74 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 1.04 0.00 0.00 48 V 8.20 4.27 2.11 0.00 0.00 0.00 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 0.93 0.00 0.00 49 H 8.90 5.65 0.00 3.23 3.04 0.00 5.79 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.43 4.87 0.00 1.67 1.81 0.00 3.27 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.51 0.00 51 E 8.11 4.80 0.00 1.95 1.85 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 2.27 2.08 0.00 52 V 7.34 4.31 2.13 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 0.88 0.00 0.00 0.99 0.00 0.00 53 K 8.96 4.26 0.00 1.83 1.90 0.00 1.56 0.00 0.00 1.64 0.00 0.00 2.76 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.28 1.33 7.81 54 I 7.90 3.42 2.06 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.56 0.92 0.00 0.00