NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0800 8.0544 120.4011 62.6878 31.0789 174.9049 2 D 4.2186 8.1457 124.9890 55.8939 41.7483 175.8534 3 N 4.5422 7.8773 117.1193 53.2141 40.5073 174.8192 4 K 4.1423 7.0828 116.0013 54.7135 35.0804 175.3448 5 F 4.6859 7.3531 119.8999 56.8009 35.5132 176.8048 6 N 4.3564 7.7656 117.7948 56.8134 39.0483 177.2268 7 K 3.9760 8.1541 119.7534 59.6141 32.2251 178.8198 8 E 4.0820 8.0388 117.4584 59.7548 29.3966 179.3598 9 M 4.1572 8.0760 118.2829 58.2253 32.1223 178.4758 10 R 3.6488 7.9341 118.8127 59.4187 30.2479 178.3091 11 N 4.4488 8.1628 115.5043 56.5649 38.6914 177.4292 12 A 4.1145 8.0542 121.7049 55.2581 18.3790 178.4799 13 Y 3.7997 8.4783 118.9148 61.0039 38.8068 178.4883 14 W 4.5304 8.5286 119.1753 59.6507 29.1127 178.2816 15 E 4.0440 8.3523 118.6890 59.4403 29.4285 178.8002 16 I 3.8125 7.8453 119.4702 64.3407 37.0018 178.2288 17 A 4.0160 7.6083 119.8952 55.0030 18.1580 179.0178 18 L 4.1592 7.8921 118.3611 57.0579 42.2514 177.6986 19 L 4.0679 7.3495 119.3991 54.3230 41.6179 175.2144 20 P 4.5394 0.0000 0.0000 63.4022 32.0822 176.0693 21 N 4.7235 7.8436 115.9432 52.6611 38.1491 174.5790 22 L 4.1671 7.5976 120.1094 54.1966 42.5341 176.8209 23 N 4.3679 8.7528 120.9892 54.0319 40.5223 175.2033 24 N 4.2814 8.8599 123.3861 56.8945 38.5883 177.7173 25 Q 4.0246 8.5235 119.1119 59.0103 28.7748 178.7490 26 Q 4.1028 8.0556 118.6352 58.7531 28.6654 178.3963 27 K 3.9118 8.3522 120.9100 59.8661 32.2752 179.0973 28 R 4.0154 7.8212 117.7983 58.8405 29.9139 178.7410 29 A 3.9164 8.2593 121.0257 55.2872 18.5365 179.6255 30 F 3.8290 8.4489 115.9477 60.8050 38.8243 177.9960 31 I 3.7346 7.2424 116.6621 64.5870 37.2092 178.4444 32 R 4.1317 8.1813 118.8323 59.0196 29.8557 178.8330 33 S 4.1116 8.4513 113.5826 61.1247 62.0017 176.0409 34 L 4.0209 7.6028 120.6853 58.2407 41.5420 178.6140 35 Y 4.0747 8.0110 117.1677 60.6663 38.8588 176.9048 36 D 4.6861 7.7471 117.7073 56.5651 42.5390 176.1755 37 D 4.6087 8.2259 118.4098 52.4331 42.8821 173.2448 38 P 4.4627 0.0000 0.0000 64.8069 31.9046 178.9653 39 S 4.1491 8.1750 111.9556 61.0737 63.0221 174.8946 40 Q 4.4458 8.3133 118.6484 55.6392 29.0053 177.1918 41 S 4.2901 8.3130 116.1298 62.0089 62.7446 176.6859 42 A 4.0110 8.0084 124.1440 54.4962 18.0625 179.2802 43 N 4.2956 7.9886 114.4297 56.4908 38.8514 177.3790 44 L 4.2317 8.7346 121.3949 57.8399 41.7534 179.3756 45 L 3.8747 8.1662 119.8734 58.1660 42.0871 178.8978 46 A 3.9556 7.8780 120.3351 55.2683 18.4364 179.4204 47 E 3.8852 8.9032 117.5172 59.3624 29.6166 179.5068 48 A 3.0506 7.9961 121.1156 54.7794 18.4222 179.6571 49 K 3.8334 7.8512 118.1178 59.2410 32.1043 178.8833 50 K 3.8929 7.9332 120.1384 59.4795 32.1314 178.7600 51 L 3.9696 7.6816 118.9690 57.6107 41.4985 179.0460 52 N 4.5599 7.8244 118.0262 56.3398 38.7507 176.4638 53 D 4.3044 8.3034 118.1591 57.1040 41.3288 177.8964 54 A 4.1138 8.1153 120.7877 55.4501 18.6594 179.5490 55 Q 4.0138 8.4176 115.0581 57.7311 29.1293 177.3689 56 A 4.0554 7.3407 122.4908 51.3123 18.8850 175.3042 57 P 4.3211 0.0000 0.0000 62.8282 32.1172 176.4449 58 K 4.1301 8.4781 118.3512 57.0184 33.0523 174.7737 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 V 8.05 4.08 2.18 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 1.14 0.00 0.00 1.05 0.00 0.00 2 D 8.15 4.22 0.00 2.75 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 N 7.88 4.54 0.00 2.74 2.81 0.00 0.00 6.68 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 4 K 7.08 4.14 0.00 1.51 1.44 0.00 1.56 0.00 0.00 1.47 0.00 0.00 2.48 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.43 0.76 7.81 5 F 7.35 4.69 0.00 3.32 3.22 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 0.00 6 N 7.77 4.36 0.00 2.74 2.84 0.00 0.00 6.74 6.75 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 7 K 8.15 3.98 0.00 1.86 1.92 0.00 1.71 0.00 0.00 1.86 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.57 1.58 7.81 8 E 8.04 4.08 0.00 2.37 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 0.00 2.47 2.57 0.00 9 M 8.08 4.16 0.00 2.09 2.29 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 2.77 2.65 0.00 10 R 7.93 3.65 0.00 1.83 2.13 0.00 3.24 0.00 0.00 3.49 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.39 0.00 11 N 8.16 4.45 0.00 3.04 2.93 0.00 0.00 7.02 6.61 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 12 A 8.05 4.11 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.48 3.80 0.00 2.97 2.75 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 14 W 8.53 4.53 0.00 3.71 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 15 E 8.35 4.04 0.00 2.16 2.05 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 2.35 2.40 0.00 16 I 7.85 3.81 1.86 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 1.36 1.05 0.83 0.00 0.00 17 A 7.61 4.02 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 7.89 4.16 0.00 1.81 1.91 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.35 4.07 0.00 1.81 1.58 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.54 0.00 2.17 2.16 0.00 3.74 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 21 N 7.84 4.72 0.00 2.95 3.08 0.00 0.00 6.26 6.72 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 22 L 7.60 4.17 0.00 1.65 1.64 0.87 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 23 N 8.75 4.37 0.00 2.77 2.73 0.00 0.00 7.21 6.72 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 24 N 8.86 4.28 0.00 2.85 2.88 0.00 0.00 7.05 7.48 0.00 0.00 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 8.52 4.02 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 26 Q 8.06 4.10 0.00 2.32 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.24 0.00 0.00 0.00 0.00 0.00 2.58 2.48 0.00 27 K 8.35 3.91 0.00 1.81 1.82 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.47 7.81 28 R 7.82 4.02 0.00 1.88 1.95 0.00 3.19 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 29 A 8.26 3.92 1.33 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 0.00 0.00 0.00 30 F 8.45 3.83 0.00 3.09 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 31 I 7.24 3.73 1.76 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.43 0.72 0.00 0.00 32 R 8.18 4.13 0.00 2.05 1.98 0.00 3.12 0.00 0.00 3.07 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 33 S 8.45 4.11 0.00 3.78 3.97 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.60 4.02 0.00 2.01 1.83 1.01 0.87 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 35 Y 8.01 4.07 0.00 2.97 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 36 D 7.75 4.69 0.00 2.76 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 37 D 8.23 4.61 0.00 2.66 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 P 0.00 4.46 0.00 2.37 2.17 0.00 3.61 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 39 S 8.17 4.15 0.00 3.98 4.03 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 0.00 0.00 0.00 40 Q 8.31 4.45 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.72 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 41 S 8.31 4.29 0.00 4.13 4.32 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.01 4.01 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 43 N 7.99 4.30 0.00 2.94 2.92 0.00 0.00 7.39 6.75 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 44 L 8.73 4.23 0.00 1.76 2.06 0.99 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.17 3.87 0.00 1.83 1.88 0.98 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 46 A 7.88 3.96 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.90 3.89 0.00 2.32 2.17 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 2.54 2.62 0.00 48 A 8.00 3.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.85 3.83 0.00 1.79 1.87 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.41 7.81 50 K 7.93 3.89 0.00 1.95 1.92 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.47 7.81 51 L 7.68 3.97 0.00 1.81 1.66 0.98 0.51 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 52 N 7.82 4.56 0.00 2.74 2.96 0.00 0.00 6.79 8.03 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 53 D 8.30 4.30 0.00 2.68 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.12 4.11 1.33 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 0.00 0.00 0.00 55 Q 8.42 4.01 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 56 A 7.34 4.06 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.32 0.00 2.19 2.09 0.00 3.92 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 1.98 1.95 0.00 58 K 8.48 4.13 0.00 1.89 1.79 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.41 7.81