NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.7137 8.1593 115.5120 62.0731 68.6836 172.7447 6 I 4.5735 9.0330 121.5411 58.2142 41.5222 172.4114 7 R 5.0933 9.2995 125.5884 55.5493 32.0550 176.6484 8 V 4.7645 8.7826 118.4042 59.6718 36.7961 174.2487 9 I 4.8691 8.7334 122.7484 59.6439 40.1834 174.8112 10 V 4.5721 8.8757 127.6355 61.2697 33.6948 174.4944 11 S 4.8873 8.7547 124.6689 57.7557 64.1334 173.8180 12 V 4.7196 8.3921 117.4181 59.3657 35.6965 174.9445 13 D 4.5677 9.1003 122.9952 53.1618 41.0419 177.0427 14 K 3.9225 9.0589 126.5659 59.6916 32.2480 179.2948 15 A 4.0985 7.9121 119.4973 54.2415 18.2662 177.7846 16 K 4.5276 8.3661 114.1998 55.7373 33.3608 175.1467 17 F 5.0215 7.8623 118.6920 56.9177 41.3101 174.1789 18 N 4.5968 7.2415 124.5753 50.6637 40.3278 173.2286 19 P 4.0285 0.0000 0.0000 65.5507 31.0966 178.2055 20 H 4.2044 8.3545 114.9689 58.1025 28.5775 176.8592 21 E 4.1084 8.1080 121.0691 58.3200 29.4406 178.8399 22 V 3.7097 7.4876 112.7319 64.2616 31.4592 177.8255 23 L 4.4377 7.1406 120.5984 57.5504 41.5871 179.1780 24 G 3.8211 7.8402 105.0389 46.8663 0.0000 174.0439 25 I 4.2269 7.6715 111.4801 60.4691 37.8864 176.1641 26 G 3.8640 8.7703 109.0716 45.6572 0.0000 173.6462 27 G 4.1159 7.9048 109.6890 44.2693 0.0000 172.0461 28 H 5.0164 8.4175 113.0541 54.1833 32.2576 172.7931 29 I 4.3481 8.3434 120.4679 61.4286 37.4767 175.6037 30 V 4.1777 9.0471 127.0992 64.6099 32.7131 175.5638 31 Y 4.5979 7.6316 120.3273 56.3262 42.3209 172.8913 32 Q 4.7506 7.7114 125.6478 53.9484 30.0632 175.5614 33 F 4.4199 8.6157 123.5334 57.7910 39.0742 176.1415 34 K 4.2750 9.0486 121.0699 57.6391 32.6285 177.6598 35 L 4.6787 8.1167 116.2929 54.3515 43.3739 176.1259 36 I 4.6845 7.4473 110.5350 58.2516 40.6435 173.8498 37 P 4.7463 0.0000 0.0000 61.5960 30.6211 174.2075 38 A 5.2187 7.9470 128.5658 51.4957 23.4400 175.1176 39 V 4.9445 8.8046 118.5588 60.1600 35.5078 174.3060 40 V 4.6101 9.0109 124.5447 62.3192 32.7999 175.1385 41 V 4.9388 8.8659 120.5440 59.7066 36.1686 174.0308 42 D 5.3287 8.6368 123.0644 52.9588 42.9017 176.1242 43 V 4.8020 8.5247 115.5651 58.5879 36.6044 173.5829 44 P 4.5209 0.0000 0.0000 62.3848 32.2305 177.5220 45 A 4.0819 8.8620 125.1102 55.4703 18.3181 179.1598 46 N 4.6008 8.1377 110.3139 54.4100 37.9729 175.9552 47 A 4.4132 8.2153 121.1815 52.6150 19.3078 178.9722 48 V 3.5801 7.4669 116.7953 65.6872 31.3370 177.9322 49 G 3.7781 8.1254 104.0114 48.0243 0.0000 175.2732 50 K 4.1483 7.9608 120.5803 58.9068 32.1997 178.8499 51 L 3.9543 8.0368 120.6881 58.4188 41.7033 179.1597 52 K 3.9383 7.7665 116.7577 58.9949 32.0609 178.3885 53 K 4.3482 7.6186 115.8092 55.7451 33.0965 177.0223 54 M 4.2600 7.4311 120.7146 54.1336 32.5913 174.0406 55 P 4.3628 0.0000 0.0000 64.7384 31.6244 177.0437 56 G 4.0323 9.0399 109.3538 45.5668 0.0000 173.0082 57 V 3.8959 7.5467 119.8452 62.7832 31.7738 174.9261 58 E 4.4787 9.1144 127.4506 57.7435 30.9284 176.5526 59 K 4.6134 7.6353 118.3256 54.8204 36.1683 174.8531 60 V 4.6837 8.2807 124.8837 61.0960 33.9364 174.3542 61 E 4.7427 8.9012 126.9717 54.3110 32.9768 175.8048 62 F 4.4901 8.7491 121.6444 57.2735 40.2710 174.4180 63 D 4.5421 8.2300 120.3287 54.1643 41.6050 176.1584 64 H 4.6076 8.7430 122.2413 56.0196 29.0123 174.8750 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 T 8.16 4.71 4.26 0.00 0.00 0.00 0.00 0.00 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 6 I 9.03 4.57 1.98 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.92 0.98 0.00 0.00 7 R 9.30 5.09 0.00 1.99 1.85 0.00 3.13 0.00 0.00 3.35 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.66 0.00 8 V 8.78 4.76 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.90 0.00 0.00 9 I 8.73 4.87 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.81 1.02 0.00 0.00 10 V 8.88 4.57 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.86 0.00 0.00 11 S 8.75 4.89 0.00 3.73 3.68 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 0.00 0.00 0.00 0.00 12 V 8.39 4.72 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 -0.57 0.00 0.00 0.81 0.00 0.00 13 D 9.10 4.57 0.00 2.84 2.59 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 14 K 9.06 3.92 0.00 1.89 1.91 0.00 1.77 0.00 0.00 1.86 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.59 1.49 7.81 15 A 7.91 4.10 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 16 K 8.37 4.53 0.00 1.68 1.82 0.00 1.79 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.35 7.81 17 F 7.86 5.02 0.00 2.99 2.93 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 18 N 7.24 4.60 0.00 2.54 2.52 0.00 0.00 7.17 7.71 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 19 P 0.00 4.03 0.00 2.05 2.13 0.00 3.51 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.25 0.00 20 H 8.35 4.20 0.00 3.24 3.29 0.00 5.61 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.11 4.11 0.00 1.98 1.79 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 2.25 2.29 0.00 22 V 7.49 3.71 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 1.07 0.00 0.00 23 L 7.14 4.44 0.00 1.77 1.80 0.93 0.98 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 24 G 7.84 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 0.00 0.00 0.00 25 I 7.67 4.23 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.79 0.92 0.00 0.00 26 G 8.77 3.86 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 0.00 0.00 0.00 27 G 7.90 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.42 5.02 0.00 3.16 3.36 0.00 5.26 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 I 8.34 4.35 1.88 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 1.24 0.82 0.92 0.00 0.00 30 V 9.05 4.18 2.24 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 0.75 0.00 0.00 0.98 0.00 0.00 31 Y 7.63 4.60 0.00 2.93 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.71 4.75 0.00 1.72 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.72 0.00 0.00 0.00 0.00 0.00 2.24 2.23 0.00 33 F 8.62 4.42 0.00 3.24 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.05 4.28 0.00 1.83 1.90 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.43 7.81 35 L 8.12 4.68 0.00 1.69 1.72 0.97 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 36 I 7.45 4.68 1.72 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.39 0.81 0.00 0.00 37 P 0.00 4.75 0.00 2.34 2.25 0.00 3.63 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.94 0.00 38 A 7.95 5.22 1.17 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 39 V 8.80 4.94 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 1.07 0.00 0.00 40 V 9.01 4.61 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 0.77 0.00 0.00 1.01 0.00 0.00 41 V 8.87 4.94 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 0.73 0.00 0.00 0.92 0.00 0.00 42 D 8.64 5.33 0.00 2.23 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 43 V 8.52 4.80 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 0.74 0.00 0.00 0.91 0.00 0.00 44 P 0.00 4.52 0.00 2.19 1.98 0.00 3.62 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 2.12 2.10 0.00 45 A 8.86 4.08 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 46 N 8.14 4.60 0.00 2.86 2.97 0.00 0.00 5.93 7.26 0.00 0.00 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 A 8.22 4.41 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 48 V 7.47 3.58 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 1.01 0.00 0.00 49 G 8.13 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 50 K 7.96 4.15 0.00 1.95 1.88 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.50 7.81 51 L 8.04 3.95 0.00 1.89 1.75 0.87 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 52 K 7.77 3.94 0.00 2.00 1.87 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.62 7.81 53 K 7.62 4.35 0.00 1.88 1.85 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.64 7.81 54 M 7.43 4.26 0.00 2.23 2.25 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.52 0.00 55 P 0.00 4.36 0.00 2.32 2.11 0.00 3.85 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.99 0.00 56 G 9.04 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 0.00 0.00 0.00 57 V 7.55 3.90 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 1.05 0.00 0.00 58 E 9.11 4.48 0.00 1.93 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 2.25 2.21 0.00 59 K 7.64 4.61 0.00 1.73 1.52 0.00 1.63 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.41 7.81 60 V 8.28 4.68 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 0.62 0.00 0.00 0.84 0.00 0.00 61 E 8.90 4.74 0.00 1.87 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.20 0.00 62 F 8.75 4.49 0.00 2.82 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.23 4.54 0.00 2.96 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 64 H 8.74 4.61 0.00 3.19 3.19 0.00 5.98 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00