NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 S 4.2963 8.3193 115.3774 58.1356 64.2422 172.2845 22 Y 3.9403 8.4353 117.0692 59.0553 37.4272 171.4673 23 V 3.1851 7.8455 114.8383 63.3577 30.4113 172.8308 24 P 4.7030 0.0000 0.0000 61.9134 30.5354 178.2730 25 R 3.8222 7.6161 108.4833 55.9199 29.5679 178.5010 26 T 3.0844 7.5047 109.7506 62.7235 69.4912 170.3851 27 E 4.3049 7.7518 120.3483 54.0212 30.9713 173.6286 28 P 4.1141 0.0000 0.0000 62.5838 31.2374 175.9139 29 A 4.2580 8.1607 126.0553 50.6441 19.6120 176.3915 30 P 4.0893 0.0000 0.0000 65.3529 31.4200 176.7292 31 P 4.3685 0.0000 0.0000 64.5337 31.3740 176.5036 32 E 5.0149 7.2119 110.1470 55.7521 31.6766 176.0898 33 H 4.1793 8.9503 125.9297 57.6669 28.8143 176.7587 34 A 4.8155 8.4963 124.4846 51.2719 19.6726 177.6709 35 I 4.0586 7.7518 123.0232 60.5035 37.5039 177.3995 36 K 3.3726 8.9459 123.5656 56.3124 32.6089 178.1218 37 M 3.3145 8.0050 118.1750 56.3289 32.3822 176.8495 38 D 4.6166 8.2049 117.0272 53.5743 42.7677 175.7048 39 S 3.5985 7.6774 115.3190 59.6529 60.8629 172.9219 40 F 4.3159 7.3170 121.1148 57.6797 41.0146 178.2809 41 R 3.9911 8.2090 117.7890 56.2400 28.7935 176.4833 42 D 5.5231 8.7861 118.4990 54.6355 43.6332 176.2551 43 V 4.8645 7.6000 119.0860 61.1392 33.2721 174.7550 44 W 4.9886 8.9782 128.2119 54.7465 32.4912 174.7543 45 M 4.6243 9.3453 125.3201 55.6772 32.3151 175.2062 46 L 4.6640 8.7203 128.9984 54.2791 44.5329 176.6192 47 R 3.7011 10.4872 124.1586 57.1515 28.0504 177.1130 48 G 3.8634 8.5125 108.1260 44.8164 0.0000 173.9097 49 K 4.1521 7.4341 118.6325 55.0765 35.6086 174.5738 50 Y 4.8494 8.2657 118.6367 56.9992 39.6742 175.8031 51 V 4.6640 8.6393 124.5684 61.1336 34.5589 174.2573 52 A 5.7452 8.6260 126.0193 49.2638 22.3410 175.5474 53 F 5.3475 8.4452 119.0485 56.5882 41.6746 175.0783 54 V 4.3796 7.7925 119.6836 61.0326 34.2406 171.4926 55 L 4.7805 8.6628 127.2020 53.1685 45.2607 176.4601 56 M 4.2410 8.7822 121.7508 52.1699 29.3379 176.8483 57 G 4.5953 6.9300 121.8520 45.8178 0.0000 169.6215 58 E 4.5612 7.2814 118.0542 55.5903 32.6568 175.9631 59 S 4.9957 7.6990 116.4784 57.8617 65.8569 174.2009 60 F 5.0776 8.6209 116.0317 56.7490 39.8519 172.7730 61 L 4.6138 8.3598 122.9220 54.9970 42.1370 176.7304 62 R 5.7241 9.0720 120.2212 55.0619 31.0302 176.4190 63 S 4.1882 8.6223 116.2063 56.8215 64.8078 172.9683 64 P 3.9050 0.0000 0.0000 62.6635 30.6394 172.0230 65 A 3.7754 7.4456 130.5162 51.9842 18.9359 177.5821 66 F 4.8416 8.6011 121.2335 55.9361 41.4262 177.1464 67 T 4.0685 8.6354 117.4464 63.7892 67.7529 174.3271 68 V 4.3363 7.6837 121.5507 60.4916 33.5287 173.9169 69 P 3.7294 0.0000 0.0000 65.4777 31.0429 178.5429 70 E 4.1679 7.9414 115.7614 59.6636 29.3703 179.0733 71 S 3.8834 7.6538 114.4346 61.1906 62.9316 176.2318 72 A 3.9410 7.6609 122.5306 54.1297 18.5137 179.2885 73 Q 3.9957 8.0528 118.4617 59.4873 29.1919 178.2709 74 R 3.9210 8.1730 119.2015 59.3346 30.2809 178.8289 75 W 4.1001 7.8169 126.8898 60.4572 30.1517 177.8547 76 A 3.8376 8.1802 120.5026 55.1203 17.8751 179.4064 77 N 4.1381 8.5571 115.4051 56.2210 38.5987 177.8896 78 Q 3.8792 8.2932 119.9544 58.9247 28.9998 178.2593 79 I 3.7226 7.2209 118.1242 62.4073 37.5768 177.1827 80 R 4.0009 6.8419 118.0348 59.2452 30.5929 177.8302 81 Q 4.0719 7.8252 116.2039 59.1243 29.0253 178.1274 82 E 4.2645 8.1139 117.1397 55.7463 30.9282 176.1365 83 G 3.9845 8.4001 108.6500 45.4875 0.0000 170.7495 84 E 3.6005 7.5250 124.0200 57.3101 29.7136 174.4573 85 V 3.6026 7.3330 128.4131 62.6110 31.1269 176.2520 86 T 3.7224 8.3744 124.7820 64.0841 68.0515 174.4366 87 E 4.0828 8.4357 126.9689 56.5956 31.1875 174.2227 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 21 S 8.32 4.30 0.00 3.35 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 22 Y 8.44 3.94 0.00 3.21 3.24 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 0.00 23 V 7.85 3.19 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.84 0.00 0.00 24 P 0.00 4.70 0.00 2.50 2.11 0.00 4.04 0.00 0.00 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.31 0.00 25 R 7.62 3.82 0.00 1.52 1.62 0.00 3.08 0.00 0.00 3.10 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.72 0.00 26 T 7.50 3.08 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 1.23 0.00 0.00 27 E 7.75 4.30 0.00 1.92 1.84 0.00 0.00 0.00 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 2.27 0.00 28 P 0.00 4.11 0.00 2.16 2.15 0.00 3.69 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 2.00 2.06 0.00 29 A 8.16 4.26 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 30 P 0.00 4.09 0.00 2.02 2.14 0.00 3.63 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 2.01 2.12 0.00 31 P 0.00 4.37 0.00 2.00 2.09 0.00 3.60 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.04 0.00 32 E 7.21 5.01 0.00 2.22 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.15 0.00 33 H 8.95 4.18 0.00 3.21 3.17 0.00 5.64 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 8.50 4.82 1.15 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 0.00 0.00 0.00 0.00 0.00 0.00 35 I 7.75 4.06 1.99 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 1.54 0.62 1.02 0.00 0.00 36 K 8.95 3.37 0.00 1.59 1.92 0.00 2.13 0.00 0.00 1.90 0.00 0.00 3.47 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.54 1.43 7.81 37 M 8.01 3.31 0.00 2.11 1.97 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.53 0.00 38 D 8.20 4.62 0.00 2.66 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 S 7.68 3.60 0.00 3.95 3.83 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 40 F 7.32 4.32 0.00 2.84 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.21 3.99 0.00 1.98 1.81 0.00 3.34 0.00 0.00 3.19 7.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.51 0.00 42 D 8.79 5.52 0.00 2.84 2.94 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 43 V 7.60 4.86 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 0.57 0.00 0.00 1.16 0.00 0.00 44 W 8.98 4.99 0.00 3.65 3.17 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 45 M 9.35 4.62 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 46 L 8.72 4.66 0.00 1.82 1.53 1.20 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 47 R 10.49 3.70 0.00 1.92 1.97 0.00 3.19 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 1.54 1.56 0.00 48 G 8.51 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 49 K 7.43 4.15 0.00 1.64 1.67 0.00 1.53 0.00 0.00 1.55 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.28 1.29 7.81 50 Y 8.27 4.85 0.00 3.04 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 8.64 4.66 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 0.91 0.00 0.00 0.95 0.00 0.00 52 A 8.63 5.75 1.54 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 0.00 0.00 53 F 8.45 5.35 0.00 3.08 3.05 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 54 V 7.79 4.38 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 0.71 0.00 0.00 0.96 0.00 0.00 55 L 8.66 4.78 0.00 1.72 1.54 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 56 M 8.78 4.24 0.00 2.28 2.03 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.43 0.00 57 G 6.93 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 E 7.28 4.56 0.00 2.01 1.96 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 2.11 2.32 0.00 59 S 7.70 5.00 0.00 3.76 3.95 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 0.00 0.00 0.00 0.00 60 F 8.62 5.08 0.00 2.96 3.05 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 61 L 8.36 4.61 0.00 1.84 1.92 1.07 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 62 R 9.07 5.72 0.00 2.09 2.36 0.00 2.77 0.00 0.00 4.01 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.56 0.00 63 S 8.62 4.19 0.00 3.49 3.47 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 0.00 64 P 0.00 3.90 0.00 1.78 1.94 0.00 3.31 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.58 0.00 65 A 7.45 3.78 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 F 8.60 4.84 0.00 3.24 2.94 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 67 T 8.64 4.07 4.28 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 0.00 0.00 0.00 1.28 0.00 0.00 68 V 7.68 4.34 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 0.87 0.00 0.00 0.97 0.00 0.00 69 P 0.00 3.73 0.00 1.23 0.60 0.00 3.35 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.44 0.00 70 E 7.94 4.17 0.00 2.23 2.33 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 2.32 2.37 0.00 71 S 7.65 3.88 0.00 3.92 3.46 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 72 A 7.66 3.94 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 73 Q 8.05 4.00 0.00 2.46 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.38 0.00 0.00 0.00 0.00 0.00 2.59 2.51 0.00 74 R 8.17 3.92 0.00 1.89 1.99 0.00 3.18 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 75 W 7.82 4.10 0.00 3.42 3.12 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 76 A 8.18 3.84 1.64 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 77 N 8.56 4.14 0.00 2.86 2.85 0.00 0.00 7.06 8.15 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 78 Q 8.29 3.88 0.00 1.92 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.86 0.00 0.00 0.00 0.00 0.00 2.34 2.51 0.00 79 I 7.22 3.72 1.04 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.18 0.23 0.00 0.00 80 R 6.84 4.00 0.00 1.90 2.05 0.00 3.35 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 81 Q 7.83 4.07 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.72 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 82 E 8.11 4.26 0.00 1.97 2.20 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 2.37 2.44 0.00 83 G 8.40 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 84 E 7.52 3.60 0.00 2.06 1.96 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 2.17 2.34 0.00 85 V 7.33 3.60 2.06 0.00 0.00 0.00 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 0.92 0.00 0.00 86 T 8.37 3.72 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 1.19 0.00 0.00 87 E 8.44 4.08 0.00 2.09 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.36 0.00