NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 H 4.9903 8.4293 117.7932 55.8116 30.4506 171.9578 18 I 4.5192 8.6452 114.5522 58.8584 40.9410 172.5384 19 N 5.3540 10.1770 122.9254 52.2881 40.6430 175.5384 20 L 5.3002 9.1351 123.0012 52.9294 46.2645 175.5135 21 K 5.0182 8.9556 121.2606 54.8728 35.0013 175.6353 22 V 4.8417 9.2239 124.0960 61.2945 33.9971 173.9088 23 A 5.1466 9.0159 131.3159 50.2411 21.1320 176.6677 24 G 4.0513 8.8739 112.3496 44.2669 0.0000 174.7688 25 Q 4.0343 8.2727 118.2436 58.1385 28.7834 177.3524 26 D 4.4720 7.9805 115.6069 53.7644 39.7715 177.1805 27 G 3.9800 8.0949 109.4729 44.9500 0.0000 174.1740 28 S 4.3091 8.3683 115.6362 58.5485 64.2645 173.6974 29 V 4.8003 8.3481 121.7559 61.3411 33.9256 174.4352 30 V 4.5323 8.9622 127.9875 61.2313 34.3581 174.1371 31 Q 5.2072 8.3842 125.0817 54.4155 31.0644 174.7348 32 F 4.9783 9.2662 120.3709 55.5647 43.9725 173.6595 33 K 5.2109 8.6605 118.8303 55.4477 35.2724 175.2829 34 I 4.7056 8.6095 121.8327 59.6666 42.0766 174.3781 35 K 4.4182 8.6697 127.5891 56.0338 32.8916 178.5397 36 R 3.8736 8.4798 120.3049 58.9656 30.1943 178.0355 37 H 5.0335 7.9907 112.4108 55.6205 29.1639 173.9181 38 T 4.4513 7.4506 116.6723 61.3316 69.7640 173.2660 39 P 4.4918 0.0000 0.0000 62.5083 32.0254 177.6600 40 L 3.9916 8.9401 123.1302 57.1103 41.4025 179.8425 41 S 3.9245 7.9993 114.2535 60.9025 62.6560 176.1770 42 K 3.7800 7.9837 123.5115 59.4578 31.8550 178.4408 43 L 3.5881 7.5728 119.8042 58.2372 42.0838 178.5685 44 M 3.2580 7.7793 118.8615 58.0857 31.7462 178.9673 45 K 4.0019 8.0691 118.3848 59.3874 32.1727 179.3293 46 A 4.0668 7.9520 121.1213 55.1685 18.3107 179.0050 47 Y 4.2634 8.3215 118.5060 61.1891 38.8589 178.2034 48 C 4.2370 8.3976 117.5998 62.7686 28.1460 175.7291 49 E 3.9245 8.3728 120.8415 59.5779 29.0917 179.2109 50 R 4.0762 8.3165 116.9489 58.4606 30.2095 178.0113 51 Q 4.3339 7.8539 115.2225 54.3495 29.3956 175.5107 52 G 3.8813 7.6300 106.6162 46.8806 0.0000 173.6261 53 L 4.9073 7.9191 117.6079 52.4780 44.9796 176.0389 54 S 4.8534 8.8050 114.5433 56.5146 64.0636 175.2233 55 M 4.2383 8.6737 126.1288 58.2848 32.0212 178.8734 56 R 3.7363 8.0163 117.6035 58.1927 30.3349 177.2495 57 Q 4.5884 8.3587 114.3152 55.4336 30.1152 174.7404 58 I 4.9528 7.2025 111.1005 59.2104 40.8244 175.0522 59 R 4.8480 8.9551 121.1014 54.5499 34.6873 174.2184 60 F 5.3627 8.9613 119.9515 55.9217 42.1506 174.6483 61 R 5.2964 9.4117 121.1898 54.4692 34.9408 174.0984 62 F 4.9749 8.9869 123.5014 56.6206 42.2960 174.5256 63 D 4.0502 9.3419 127.5498 55.1625 39.3224 174.1909 64 G 3.9448 8.3476 104.8419 45.0886 0.0000 173.2823 65 Q 4.6392 7.7884 118.5550 53.3800 30.4961 173.4656 66 P 4.8312 0.0000 0.0000 62.9392 32.3287 175.5552 67 I 4.5097 8.2477 124.2921 60.2389 38.3610 175.6931 68 N 4.7670 9.2823 125.0690 51.7887 40.3049 176.2367 69 E 3.9257 8.9291 119.5959 59.1924 29.5210 178.4070 70 T 4.4477 7.5672 105.1401 61.0248 70.0242 174.2332 71 D 4.6630 7.8893 123.9724 54.9419 41.5847 175.6542 72 T 4.9047 8.3848 113.5613 59.2827 72.4922 173.8976 73 P 4.0640 0.0000 0.0000 65.7637 31.3202 178.8597 74 A 3.9196 8.1633 119.6685 55.2546 18.0664 179.6659 75 Q 4.0050 7.9328 115.5046 58.7808 28.8526 178.1552 76 L 4.4299 7.6894 116.9503 53.6420 42.0985 176.3215 77 E 3.8124 7.8623 117.3197 57.5959 27.5413 174.7611 78 M 4.4014 7.9212 117.0600 54.8513 33.2129 175.9797 79 E 4.7366 9.3334 120.4909 53.8078 33.4752 174.9852 80 D 4.5493 8.5513 119.2028 56.5701 41.3300 176.6061 81 E 3.9091 9.4618 124.4283 56.7777 27.7511 174.2585 82 D 4.7858 8.0955 119.5733 54.7904 42.3778 175.1667 83 T 5.1109 8.5530 116.3244 62.0514 71.2022 173.7513 84 I 4.6764 9.0357 127.4600 60.2935 39.3013 174.3938 85 D 5.1670 9.1470 127.2364 52.8676 42.6982 175.7089 86 V 4.4046 7.7342 122.7285 59.7823 33.4363 175.0925 87 F 4.8838 8.7332 121.7276 55.2560 43.5570 175.1001 88 Q 4.6660 8.6362 119.6697 56.0272 28.9462 175.8188 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 17 H 8.43 4.99 0.00 3.03 3.32 0.00 5.81 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 I 8.65 4.52 1.86 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.02 0.89 0.00 0.00 19 N 10.18 5.35 0.00 2.77 2.78 0.00 0.00 7.03 6.28 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 20 L 9.14 5.30 0.00 1.59 1.53 0.82 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.96 5.02 0.00 1.75 1.76 0.00 1.64 0.00 0.00 1.61 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.40 7.81 22 V 9.22 4.84 2.35 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 0.50 0.00 0.00 0.97 0.00 0.00 23 A 9.02 5.15 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.87 4.05 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 0.00 0.00 0.00 25 Q 8.27 4.03 0.00 2.04 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 7.03 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 26 D 7.98 4.47 0.00 2.79 2.78 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 27 G 8.09 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 28 S 8.37 4.31 0.00 3.95 4.04 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 29 V 8.35 4.80 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 0.84 0.00 0.00 1.00 0.00 0.00 30 V 8.96 4.53 2.51 0.00 0.00 0.00 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 1.05 0.00 0.00 31 Q 8.38 5.21 0.00 1.82 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.59 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 32 F 9.27 4.98 0.00 3.01 2.96 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 0.00 0.00 0.00 33 K 8.66 5.21 0.00 1.70 1.73 0.00 1.51 0.00 0.00 1.53 0.00 0.00 2.26 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.26 1.26 7.81 34 I 8.61 4.71 1.89 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.38 0.89 0.00 0.00 35 K 8.67 4.42 0.00 1.81 1.64 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.74 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.24 1.22 7.81 36 R 8.48 3.87 0.00 1.61 1.77 0.00 3.04 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 37 H 7.99 5.03 0.00 3.12 3.25 0.00 5.69 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 T 7.45 4.45 4.35 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 1.19 0.00 0.00 39 P 0.00 4.49 0.00 2.13 2.03 0.00 3.57 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.09 0.00 40 L 8.94 3.99 0.00 1.61 1.52 0.84 0.57 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 41 S 8.00 3.92 0.00 3.98 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 42 K 7.98 3.78 0.00 1.81 1.88 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.94 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.43 1.45 7.81 43 L 7.57 3.59 0.00 1.52 1.53 0.76 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 44 M 7.78 3.26 0.00 1.44 1.72 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.81 0.00 45 K 8.07 4.00 0.00 1.84 1.85 0.00 1.65 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.47 7.81 46 A 7.95 4.07 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.32 4.26 0.00 2.86 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 48 C 8.40 4.24 0.00 3.29 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 49 E 8.37 3.92 0.00 2.19 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 50 R 8.32 4.08 0.00 1.84 1.96 0.00 3.35 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.93 0.00 51 Q 7.85 4.33 0.00 1.71 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.75 0.00 0.00 0.00 0.00 0.00 1.82 1.16 0.00 52 G 7.63 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.92 4.91 0.00 1.66 1.62 0.95 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 54 S 8.80 4.85 0.00 3.83 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 55 M 8.67 4.24 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.60 0.00 56 R 8.02 3.74 0.00 1.84 2.02 0.00 3.13 0.00 0.00 3.29 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.60 0.00 57 Q 8.36 4.59 0.00 2.21 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.66 0.00 0.00 0.00 0.00 0.00 2.23 2.46 0.00 58 I 7.20 4.95 1.71 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.67 0.90 0.00 0.00 59 R 8.96 4.85 0.00 1.76 1.87 0.00 3.28 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.75 0.00 60 F 8.96 5.36 0.00 2.92 2.87 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 0.00 0.00 0.00 0.00 61 R 9.41 5.30 0.00 1.98 1.88 0.00 2.91 0.00 0.00 3.08 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 62 F 8.99 4.97 0.00 3.00 2.95 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 63 D 9.34 4.05 0.00 1.64 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 0.00 0.00 0.00 0.00 64 G 8.35 3.94 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 0.00 65 Q 7.79 4.64 0.00 2.26 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.92 0.00 0.00 0.00 0.00 0.00 2.66 2.39 0.00 66 P 0.00 4.83 0.00 1.99 2.07 0.00 3.68 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 67 I 8.25 4.51 1.92 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.66 0.85 0.00 0.00 68 N 9.28 4.77 0.00 2.74 2.74 0.00 0.00 6.58 8.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.93 3.93 0.00 1.95 2.01 0.00 0.00 0.00 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 2.30 0.00 70 T 7.57 4.45 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 1.20 0.00 0.00 71 D 7.89 4.66 0.00 2.81 2.61 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 0.00 0.00 0.00 72 T 8.38 4.90 4.36 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 0.00 0.00 0.00 1.22 0.00 0.00 73 P 0.00 4.06 0.00 2.07 2.01 0.00 3.73 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.04 0.00 74 A 8.16 3.92 1.28 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 0.00 0.00 0.00 75 Q 7.93 4.01 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.02 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 76 L 7.69 4.43 0.00 1.52 1.78 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 77 E 7.86 3.81 0.00 2.23 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 0.00 2.27 2.29 0.00 78 M 7.92 4.40 0.00 1.68 1.83 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.94 0.00 79 E 9.33 4.74 0.00 1.95 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 2.21 2.23 0.00 80 D 8.55 4.55 0.00 2.61 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 81 E 9.46 3.91 0.00 2.16 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 0.00 2.23 2.42 0.00 82 D 8.10 4.79 0.00 2.66 2.76 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 0.00 0.00 0.00 83 T 8.55 5.11 4.33 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 1.26 0.00 0.00 84 I 9.04 4.68 1.91 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.77 1.10 0.00 0.00 85 D 9.15 5.17 0.00 2.75 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 V 7.73 4.40 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 0.44 0.00 0.00 0.27 0.00 0.00 87 F 8.73 4.88 0.00 2.97 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.64 4.67 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.80 6.65 0.00 0.00 0.00 0.00 0.00 2.47 2.27 0.00