NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 P 4.2423 0.0000 0.0000 62.6833 33.1035 177.4741 17 S 3.8793 8.2850 110.3506 57.0500 60.9574 167.5148 18 R 4.3379 8.4168 120.0200 56.3266 29.7344 175.3851 19 K 4.4791 8.2850 120.4949 55.8644 34.2461 177.0463 20 A 3.9575 8.3878 119.0669 52.5274 18.0369 178.6424 21 K 4.4673 8.3398 120.1763 55.3358 33.0025 178.4099 22 V 3.5350 8.3957 124.3362 64.9524 31.7570 176.8756 23 K 4.3455 7.6393 119.7178 59.4147 32.5388 177.5266 24 A 4.1769 8.0286 120.7140 55.8589 18.5382 179.1849 25 T 4.1731 7.5711 112.6713 61.0504 66.3448 172.8181 26 L 4.2598 6.8212 124.6341 54.8917 45.8483 172.4384 27 G 4.1669 8.2326 109.1406 44.6536 0.0000 173.0759 28 E 4.3254 8.9698 123.9435 55.8462 28.8499 175.8171 29 F 4.8922 8.3852 118.5629 54.4328 40.6441 174.6107 30 D 4.3299 8.6627 123.5324 53.8845 40.2998 176.5266 31 L 4.0458 8.1443 127.3012 56.6493 41.7024 178.1866 32 R 4.1543 7.8142 117.2953 56.6268 30.5813 176.0656 33 D 4.3454 8.0546 118.5011 54.1846 39.5219 175.6147 34 Y 4.7951 7.5370 122.6367 57.0400 37.7048 177.0945 35 R 4.6839 8.1951 116.5859 55.7272 33.2919 176.1622 36 N 4.6876 7.7982 118.1113 52.0336 35.2598 174.9097 37 V 3.5653 7.6994 124.0398 66.3555 31.7562 176.3942 38 E 3.9356 8.2269 116.9537 59.6171 29.6312 179.3293 39 V 3.7010 7.6167 117.9454 64.4621 31.9348 177.9291 40 L 4.2445 8.2350 120.1658 57.5816 41.0564 179.2429 41 K 3.3727 8.2509 119.3484 59.7488 31.6806 178.5315 42 R 3.5202 8.0324 117.3700 57.9459 30.1665 177.6268 43 F 4.6994 8.6981 116.8891 56.4369 39.5383 175.2596 44 L 5.0218 6.7669 119.1874 53.4622 43.2664 177.9248 45 S 4.5209 8.7565 116.8644 58.1485 64.8253 175.5139 46 E 4.5631 8.6840 122.9623 57.3776 28.9018 176.1279 47 T 4.7499 7.9659 115.4839 62.3158 72.8409 174.7391 48 G 4.0987 8.4852 110.3159 45.8540 0.0000 173.6225 49 K 4.5626 8.5520 119.6071 54.4209 34.5353 176.6249 50 I 4.2429 8.2691 125.1410 60.8516 37.4158 176.0247 51 L 4.2088 8.8007 128.3732 54.3591 42.3702 176.0145 52 P 4.4969 0.0000 0.0000 62.1332 32.3949 177.6407 53 R 3.9982 8.8083 120.3461 59.6795 30.0419 178.8371 54 R 4.2146 8.0080 110.2078 57.5101 29.5470 176.9213 55 R 4.5141 8.6340 117.0456 58.1163 33.4367 177.6428 56 T 4.0428 8.1134 107.4925 62.6736 69.1093 175.8840 57 G 4.0035 8.6401 108.8941 45.9608 0.0000 173.6564 58 L 4.5067 7.8430 120.2814 53.8280 43.2793 176.4801 59 S 4.9455 8.3400 113.8208 56.6218 66.3902 175.2086 60 G 3.9587 8.4780 110.1872 48.1549 0.0000 175.9789 61 K 4.0382 7.9298 121.6036 59.2934 32.3330 178.3295 62 E 3.8729 8.0245 118.6791 59.3255 29.3441 178.8719 63 Q 3.8828 8.5785 120.0771 59.3999 28.1680 179.2338 64 R 3.8911 7.4903 118.3531 59.1583 30.0085 178.4580 65 I 3.9301 7.4345 119.6702 63.8998 37.3095 177.5650 66 L 3.7750 8.1996 121.4267 59.1451 41.7804 178.7118 67 A 3.7615 7.7375 118.6318 55.4541 18.2914 179.3124 68 K 3.7745 7.8413 115.6857 60.0452 32.5672 179.4110 69 T 3.9657 8.1611 115.6845 67.1815 68.4434 176.5918 70 I 3.7651 8.3893 121.5919 64.3550 37.1902 178.6991 71 K 3.8537 8.0844 119.2735 59.2337 31.7507 179.7518 72 R 3.8051 8.1224 118.4704 58.9902 30.0157 178.6190 73 A 4.0071 7.8213 120.1950 55.5164 18.3461 179.4624 74 R 4.5168 7.8044 117.5200 59.0919 29.8255 178.8063 75 I 3.8165 7.4986 118.3692 65.0376 37.3619 177.8691 76 L 4.0675 8.0983 119.3113 57.1717 41.6291 178.5091 77 G 4.1908 7.9591 103.8699 45.3764 0.0000 174.7999 78 L 4.1550 8.2018 120.1334 57.0595 42.0627 177.3479 79 L 4.7259 7.4204 117.7064 52.0595 43.7050 174.4103 80 P 4.9130 0.0000 0.0000 62.8538 32.1916 176.0738 81 F 4.3953 8.5383 116.8341 58.4721 40.0669 176.5340 82 T 4.2418 7.3690 110.9979 61.6863 69.6038 171.6437 83 E 4.7139 8.7890 127.4849 54.4618 31.9394 175.7978 84 K 4.2698 8.2544 119.8376 55.9197 33.0824 176.3941 85 L 4.4297 8.2404 123.5377 53.8104 43.1542 175.9551 86 V 4.3262 8.0345 125.3021 62.8282 34.3387 173.1987 87 R 4.1507 8.5448 122.1783 53.3939 26.0154 175.6697 88 K 4.1635 8.9648 129.0603 57.8060 33.0919 174.2916 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 16 P 0.00 4.24 0.00 2.20 2.25 0.00 3.78 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 1.89 1.96 0.00 17 S 8.28 3.88 0.00 4.12 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 18 R 8.42 4.34 0.00 1.84 1.91 0.00 3.39 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 19 K 8.29 4.48 0.00 1.67 1.72 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.48 7.81 20 A 8.39 3.96 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 21 K 8.34 4.47 0.00 1.91 1.80 0.00 1.60 0.00 0.00 1.77 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.54 1.62 7.81 22 V 8.40 3.54 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 -0.05 0.00 0.00 0.92 0.00 0.00 23 K 7.64 4.35 0.00 2.16 1.93 0.00 1.98 0.00 0.00 1.82 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.57 1.63 7.81 24 A 8.03 4.18 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 25 T 7.57 4.17 4.16 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 1.14 0.00 0.00 26 L 6.82 4.26 0.00 1.56 1.65 0.57 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.23 4.17 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 0.00 28 E 8.97 4.33 0.00 2.03 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 2.35 2.34 0.00 29 F 8.39 4.89 0.00 3.17 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 30 D 8.66 4.33 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 31 L 8.14 4.05 0.00 1.52 1.60 0.71 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 32 R 7.81 4.15 0.00 1.72 2.14 0.00 3.20 0.00 0.00 3.14 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 33 D 8.05 4.35 0.00 2.72 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 34 Y 7.54 4.80 0.00 3.03 3.08 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 0.00 0.00 0.00 0.00 35 R 8.20 4.68 0.00 1.90 1.99 0.00 3.28 0.00 0.00 3.44 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.94 0.00 36 N 7.80 4.69 0.00 3.28 2.79 0.00 0.00 6.69 7.59 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 37 V 7.70 3.57 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 1.04 0.00 0.00 1.06 0.00 0.00 38 E 8.23 3.94 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 39 V 7.62 3.70 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 1.20 0.00 0.00 0.46 0.00 0.00 40 L 8.24 4.24 0.00 1.77 1.88 1.01 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.25 3.37 0.00 1.94 2.04 0.00 1.58 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.41 1.50 7.81 42 R 8.03 3.52 0.00 1.02 1.44 0.00 3.18 0.00 0.00 3.07 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.44 0.00 43 F 8.70 4.70 0.00 3.13 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 44 L 6.77 5.02 0.00 1.53 1.76 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.76 4.52 0.00 3.97 4.06 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 0.00 0.00 0.00 0.00 46 E 8.68 4.56 0.00 1.97 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 2.31 2.38 0.00 47 T 7.97 4.75 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 1.27 0.00 0.00 48 G 8.49 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 49 K 8.55 4.56 0.00 1.70 1.74 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.43 7.81 50 I 8.27 4.24 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.45 0.91 0.00 0.00 51 L 8.80 4.21 0.00 1.72 1.69 1.03 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.50 0.00 2.20 1.97 0.00 3.65 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 53 R 8.81 4.00 0.00 1.88 2.02 0.00 3.25 0.00 0.00 3.37 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.64 0.00 54 R 8.01 4.21 0.00 1.91 2.06 0.00 3.04 0.00 0.00 3.24 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 55 R 8.63 4.51 0.00 1.96 1.96 0.00 3.30 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 56 T 8.11 4.04 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 57 G 8.64 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.84 4.51 0.00 1.76 1.66 0.62 0.72 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 59 S 8.34 4.95 0.00 4.01 4.02 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 0.00 0.00 0.00 0.00 60 G 8.48 3.96 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 0.00 0.00 0.00 61 K 7.93 4.04 0.00 1.81 1.77 0.00 1.70 0.00 0.00 1.78 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.50 7.81 62 E 8.02 3.87 0.00 2.17 1.83 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 2.24 2.26 0.00 63 Q 8.58 3.88 0.00 2.07 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.82 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 64 R 7.49 3.89 0.00 2.28 2.05 0.00 3.12 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 65 I 7.43 3.93 1.82 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.62 0.88 0.00 0.00 66 L 8.20 3.78 0.00 1.48 1.69 0.66 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 67 A 7.74 3.76 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 68 K 7.84 3.77 0.00 2.16 1.90 0.00 1.70 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.49 7.81 69 T 8.16 3.97 4.42 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 1.35 0.00 0.00 70 I 8.39 3.77 2.00 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 1.56 1.01 0.87 0.00 0.00 71 K 8.08 3.85 0.00 1.93 1.80 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.58 7.81 72 R 8.12 3.81 0.00 2.05 1.72 0.00 3.25 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.73 0.00 73 A 7.82 4.01 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 74 R 7.80 4.52 0.00 1.58 0.77 0.00 2.63 0.00 0.00 2.25 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.45 0.00 75 I 7.50 3.82 2.01 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.69 0.92 0.00 0.00 76 L 8.10 4.07 0.00 1.71 1.78 0.78 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 77 G 7.96 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.20 4.16 0.00 1.71 1.77 1.01 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.42 4.73 0.00 1.74 1.51 0.95 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 4.91 0.00 2.24 2.10 0.00 3.75 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 2.00 2.00 0.00 81 F 8.54 4.40 0.00 2.97 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 T 7.37 4.24 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 1.28 0.00 0.00 83 E 8.79 4.71 0.00 2.17 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 84 K 8.25 4.27 0.00 1.75 1.74 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.43 7.81 85 L 8.24 4.43 0.00 1.58 1.56 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 86 V 8.03 4.33 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 0.88 0.00 0.00 0.93 0.00 0.00 87 R 8.54 4.15 0.00 1.89 1.42 0.00 3.55 0.00 0.00 3.15 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.46 0.00 88 K 8.96 4.16 0.00 1.88 1.78 0.00 1.81 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.42 7.81