NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 E 4.2824 8.4293 121.4702 55.5212 30.5052 175.2151 5 P 4.3698 0.0000 0.0000 61.6194 33.8208 175.7402 6 C 4.4477 8.0745 121.9122 58.3468 31.2578 176.0961 7 V 3.7475 7.4179 122.8030 64.7254 31.5161 178.0980 8 E 3.9726 8.2110 119.2760 59.1731 28.9986 179.1289 9 S 4.1332 7.6895 113.5279 61.1803 63.3245 176.0070 10 L 4.1201 7.7309 123.5551 57.7312 41.8155 178.8540 11 V 3.1847 7.8759 118.6281 65.8003 31.4628 178.2222 12 S 4.0604 7.8850 113.7030 61.0331 62.5493 176.4230 13 Q 3.9441 7.3121 121.7843 59.1980 28.4451 178.0706 14 Y 4.3714 7.6779 117.6622 59.5040 38.1532 177.4013 15 F 4.2173 7.4486 123.3462 61.2546 39.3539 177.1147 16 Q 3.9676 8.2505 117.8282 59.0044 28.4290 178.7082 17 T 4.3603 7.4917 117.1858 66.0141 68.1836 176.8289 18 V 3.5209 7.1333 119.6879 66.0893 31.4998 177.8598 19 T 3.7671 7.2386 114.7143 65.7073 68.4153 176.6634 20 D 4.3227 7.9370 121.6994 57.5372 40.9503 178.3977 21 Y 4.6264 7.1129 118.7370 59.1393 37.9162 178.3335 22 G 3.4862 7.0972 107.9484 47.4012 0.0000 176.0255 23 K 3.9728 7.7289 120.4260 59.5292 31.6921 179.2449 24 D 4.6725 8.0024 119.9843 56.5646 40.9147 178.4393 25 L 4.0567 7.9253 121.1810 58.4562 42.0440 178.9765 26 M 4.1984 8.1063 118.6693 58.3295 31.4011 178.6283 27 E 3.9789 8.0617 118.6831 59.1191 29.4422 179.0154 28 K 4.1500 7.8381 116.6684 58.0276 32.3639 178.4069 29 V 4.0738 7.1498 117.4111 64.5163 31.9029 177.7971 30 K 4.4102 8.5389 120.1245 58.5582 31.7907 179.5833 31 S 4.0127 7.8580 114.7037 61.1843 63.0667 174.9205 32 P 4.2475 0.0000 0.0000 64.8974 30.8464 178.2832 33 E 3.9067 7.8406 116.1859 58.8521 29.1482 178.5648 34 L 4.2358 7.2533 116.0797 55.2141 42.7712 176.8541 35 Q 4.3624 7.9288 117.3182 56.6884 30.1535 175.6749 36 A 4.2701 7.7686 124.5680 49.6931 19.2944 173.6843 37 E 4.4278 7.2053 125.2463 56.2044 37.3075 176.9944 38 A 4.0955 8.2087 123.7627 54.5720 20.4012 179.3251 39 K 4.1741 7.5613 115.8935 55.3292 31.0639 178.1904 40 S 4.4169 7.3887 115.0021 60.9570 62.9851 174.1906 41 Y 4.7525 7.7445 116.0637 58.5878 37.5296 176.5319 42 F 4.6078 8.3416 120.7276 59.7506 39.9351 177.5981 43 E 3.9170 8.1299 118.1754 58.7869 28.7054 178.1140 44 K 4.2417 8.1131 120.8776 58.9461 32.2499 178.9048 45 S 4.4482 8.1511 114.1283 61.5354 63.0087 176.5520 46 K 4.0940 7.7476 121.7037 58.7633 31.2855 178.2947 47 E 4.3199 8.1500 117.0083 57.1535 29.1966 177.9070 48 Q 4.4837 7.3513 118.0257 56.2420 31.2794 177.4650 49 L 4.2492 8.1329 117.8457 57.4716 41.8610 179.3549 50 T 3.9093 7.9015 115.9317 66.0806 68.6835 174.7624 51 P 4.4698 0.0000 0.0000 64.3900 31.2211 177.9068 52 L 3.9598 7.2651 120.1935 58.3920 42.1987 178.3736 53 I 3.9536 7.6192 119.2993 64.0353 37.3091 177.7242 54 K 4.2349 8.0089 117.4928 57.4510 32.0723 178.7810 55 K 4.0270 7.8799 120.2136 58.7589 32.0326 178.2550 56 A 4.0906 7.8233 121.3448 54.9287 17.9387 179.7002 57 G 3.5855 7.8254 103.9871 47.2559 0.0000 174.8091 58 T 4.5682 7.4313 113.1439 61.4839 68.0675 173.2921 59 E 3.9408 7.4612 117.0607 57.7886 33.1660 177.5641 60 L 3.8526 7.4264 117.1514 57.9364 42.1707 179.7515 61 V 3.5220 7.9734 118.4504 66.0984 30.8270 177.8165 62 N 4.2856 7.6943 115.7754 56.0814 38.3669 177.3014 63 F 4.2909 7.3290 118.8650 60.4733 38.4742 177.8658 64 L 4.1099 8.1076 118.8130 57.6323 41.1290 179.4981 65 S 4.1600 7.9584 112.7744 61.3953 62.3001 175.2172 66 Y 4.3196 7.7025 122.4693 60.3616 38.4406 177.2664 67 F 4.6128 8.1542 118.2805 59.6197 38.8810 177.7218 68 V 3.7333 7.3394 119.3210 65.5175 31.1132 177.8022 69 E 4.0257 7.7951 117.0955 58.1865 29.2700 177.6978 70 L 4.6397 7.2838 116.4607 54.0481 42.3124 176.2172 71 G 4.3710 7.7914 107.8461 47.4527 0.0000 175.6590 72 T 4.0473 7.9656 117.8471 66.0750 68.9641 177.1689 73 Q 3.9412 8.5905 119.9015 58.5046 28.9404 174.8065 74 P 4.0083 0.0000 0.0000 63.0808 31.2461 174.7598 75 A 4.5236 8.0174 130.4526 52.6428 21.1577 175.7470 76 T 4.4913 7.3106 110.2065 63.5797 72.4405 173.8808 77 Q 4.1633 8.3896 127.4100 56.9264 28.7199 177.4521 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 4 E 8.43 4.28 0.00 1.94 1.97 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 2.19 2.30 0.00 5 P 0.00 4.37 0.00 2.30 2.03 0.00 3.81 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.02 0.00 6 C 8.07 4.45 0.00 2.97 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 7 V 7.42 3.75 2.09 0.00 0.00 0.00 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 0.97 0.00 0.00 8 E 8.21 3.97 0.00 1.99 1.98 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 2.35 2.34 0.00 9 S 7.69 4.13 0.00 4.01 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 10 L 7.73 4.12 0.00 1.73 1.94 1.13 0.97 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 11 V 7.88 3.18 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 0.77 0.00 0.00 1.03 0.00 0.00 12 S 7.89 4.06 0.00 4.07 3.99 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 0.00 0.00 0.00 0.00 13 Q 7.31 3.94 0.00 2.25 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.04 0.00 0.00 0.00 0.00 0.00 2.41 2.66 0.00 14 Y 7.68 4.37 0.00 3.17 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 15 F 7.45 4.22 0.00 2.93 3.09 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.25 3.97 0.00 2.34 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.57 0.00 0.00 0.00 0.00 0.00 2.40 2.70 0.00 17 T 7.49 4.36 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 18 V 7.13 3.52 1.74 0.00 0.00 0.00 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 1.03 0.00 0.00 19 T 7.24 3.77 4.18 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 0.00 0.00 0.00 1.08 0.00 0.00 20 D 7.94 4.32 0.00 2.85 2.71 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 0.00 0.00 0.00 0.00 21 Y 7.11 4.63 0.00 3.08 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 22 G 7.10 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.73 3.97 0.00 1.98 1.84 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.69 7.81 24 D 8.00 4.67 0.00 2.89 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.93 4.06 0.00 2.04 1.87 1.01 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 26 M 8.11 4.20 0.00 2.15 2.22 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.60 0.00 27 E 8.06 3.98 0.00 2.24 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 0.00 2.32 2.58 0.00 28 K 7.84 4.15 0.00 1.93 1.86 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.71 7.81 29 V 7.15 4.07 2.22 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 1.04 0.00 0.00 1.00 0.00 0.00 30 K 8.54 4.41 0.00 1.82 1.83 0.00 1.72 0.00 0.00 1.79 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.54 7.81 31 S 7.86 4.01 0.00 4.21 4.11 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 0.00 0.00 0.00 32 P 0.00 4.25 0.00 2.14 2.10 0.00 3.76 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.15 0.00 33 E 7.84 3.91 0.00 2.18 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 2.28 2.57 0.00 34 L 7.25 4.24 0.00 1.43 1.69 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 7.93 4.36 0.00 2.16 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 36 A 7.77 4.27 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 37 E 7.21 4.43 0.00 1.87 1.70 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 0.00 2.06 2.11 0.00 38 A 8.21 4.10 1.22 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 0.00 0.00 39 K 7.56 4.17 0.00 1.36 0.74 0.00 1.30 0.00 0.00 1.41 0.00 0.00 2.75 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.30 0.71 7.81 40 S 7.39 4.42 0.00 3.67 3.29 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.74 4.75 0.00 3.20 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.34 4.61 0.00 3.23 3.11 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 0.00 0.00 0.00 43 E 8.13 3.92 0.00 2.09 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 0.00 2.55 2.39 0.00 44 K 8.11 4.24 0.00 1.96 1.97 0.00 1.91 0.00 0.00 1.91 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.73 1.36 7.81 45 S 8.15 4.45 0.00 4.11 4.30 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.75 4.09 0.00 1.89 1.91 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.69 7.81 47 E 8.15 4.32 0.00 2.23 1.98 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 2.34 2.61 0.00 48 Q 7.35 4.48 0.00 2.36 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.94 0.00 0.00 0.00 0.00 0.00 2.30 2.52 0.00 49 L 8.13 4.25 0.00 1.70 1.69 0.90 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.90 3.91 4.29 0.00 0.00 0.00 0.00 0.00 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 51 P 0.00 4.47 0.00 2.25 2.29 0.00 3.61 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.17 0.00 52 L 7.27 3.96 0.00 1.93 1.93 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 53 I 7.62 3.95 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 1.80 0.76 0.91 0.00 0.00 54 K 8.01 4.23 0.00 1.86 1.82 0.00 1.55 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.47 7.81 55 K 7.88 4.03 0.00 2.08 1.95 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.39 1.42 7.81 56 A 7.82 4.09 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.83 3.59 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 0.00 0.00 0.00 58 T 7.43 4.57 4.18 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 0.00 0.00 0.00 1.18 0.00 0.00 59 E 7.46 3.94 0.00 1.89 1.61 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 0.00 2.06 2.13 0.00 60 L 7.43 3.85 0.00 1.79 1.69 1.09 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 61 V 7.97 3.52 2.22 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 0.99 0.00 0.00 0.95 0.00 0.00 62 N 7.69 4.29 0.00 2.58 2.70 0.00 0.00 7.17 8.13 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 63 F 7.33 4.29 0.00 3.01 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 0.00 0.00 0.00 0.00 64 L 8.11 4.11 0.00 1.88 1.78 1.23 1.12 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 65 S 7.96 4.16 0.00 3.97 4.07 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 0.00 0.00 0.00 0.00 66 Y 7.70 4.32 0.00 2.99 2.99 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 0.00 0.00 0.00 0.00 67 F 8.15 4.61 0.00 3.34 2.97 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 68 V 7.34 3.73 2.25 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 1.28 0.00 0.00 1.08 0.00 0.00 69 E 7.80 4.03 0.00 1.90 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 70 L 7.28 4.64 0.00 1.44 1.54 0.32 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 71 G 7.79 4.37 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 0.00 0.00 0.00 72 T 7.97 4.05 4.39 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 1.22 0.00 0.00 73 Q 8.59 3.94 0.00 2.01 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.63 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 74 P 0.00 4.01 0.00 2.01 2.01 0.00 3.85 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.10 0.00 75 A 8.02 4.52 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 0.00 0.00 0.00 0.00 0.00 76 T 7.31 4.49 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 77 Q 8.39 4.16 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.65 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00