NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 P 4.2241 0.0000 0.0000 61.2421 33.8333 175.4922 17 S 3.4732 8.0144 113.0870 59.0535 60.6701 169.6027 18 R 4.2518 7.5443 121.8547 56.4988 33.5476 175.7949 19 K 3.8195 8.6029 119.2570 56.6757 30.9383 176.1154 20 A 4.6736 8.1805 118.7971 50.7753 21.1352 176.7650 21 K 4.5393 8.1436 119.1577 55.0167 33.4024 178.4824 22 V 3.3767 8.0044 123.2775 65.9326 31.6242 177.6056 23 K 4.2900 7.9389 120.0369 59.5555 32.3280 177.5199 24 A 4.1649 8.2769 119.8992 55.9060 18.6637 178.9266 25 T 4.2254 7.7512 111.3328 61.4228 66.1432 173.0126 26 L 4.4041 6.7580 123.7605 55.1645 45.2529 172.4066 27 G 4.4397 8.3714 110.5258 43.4788 0.0000 172.2382 28 E 3.9236 8.6427 120.3544 56.2929 30.1183 176.8400 29 F 4.8179 7.4817 118.8509 55.6922 40.6550 173.6635 30 D 4.5945 8.6773 122.2428 52.9565 40.1842 176.9141 31 L 4.1240 8.5157 127.7024 57.1942 41.7500 178.4159 32 R 4.1788 8.1782 116.9531 56.4314 30.3862 175.8202 33 D 4.3807 8.2224 118.6019 54.1215 39.9148 175.2760 34 Y 4.6647 7.9493 122.5035 57.2587 37.8667 176.5858 35 R 4.5089 7.3547 119.1796 56.6718 32.5277 177.3140 36 N 4.6380 7.3094 116.5011 52.5849 35.7101 174.7959 37 V 3.5494 7.8517 124.3704 65.7489 31.7875 176.5109 38 E 3.9627 8.2231 116.7750 59.2218 29.5011 179.1120 39 V 3.8930 7.5171 117.8468 64.1764 32.3124 178.1330 40 L 4.0523 8.0447 120.2574 57.3243 40.9461 179.1877 41 K 3.9635 8.4999 119.8812 59.8641 31.6937 178.6435 42 R 3.9597 7.9127 116.9718 58.1111 30.2628 177.7363 43 F 4.3725 8.6854 116.7598 56.6718 39.2097 175.1517 44 L 5.0163 6.7745 118.4496 53.0668 43.3096 177.4919 45 S 4.5269 8.5313 116.2233 57.7340 64.9227 173.4983 46 E 4.0003 8.7549 118.5071 60.0456 29.2418 177.6420 47 T 4.3633 7.6162 114.1522 62.5974 69.8438 173.9257 48 G 4.0513 8.4238 108.7318 46.1756 0.0000 173.9754 49 K 4.3431 7.7051 119.0416 55.4809 33.6820 176.6229 50 I 4.2939 8.2555 124.7336 60.9197 37.4398 176.0998 51 L 4.2166 8.9341 128.3606 54.2952 42.4219 175.8422 52 P 4.5809 0.0000 0.0000 62.0114 32.5649 177.8228 53 R 4.6227 8.5716 120.0813 59.2578 29.6719 179.3076 54 R 3.9639 8.0765 116.1957 59.0429 30.2693 177.9948 55 R 4.4273 7.7040 116.3471 57.9848 31.3497 178.3216 56 T 4.1768 8.7472 109.2671 62.3461 68.5773 175.7674 57 G 3.9746 7.8338 108.8883 46.3090 0.0000 173.5776 58 L 4.5840 7.5221 119.7143 53.6386 43.1492 176.6103 59 S 4.7214 8.5455 114.8869 56.7925 66.0618 175.0583 60 A 3.9565 8.3367 123.5134 55.4035 18.0188 179.5691 61 K 3.7896 8.1284 117.3117 60.0252 32.0250 178.3588 62 E 3.9024 8.3297 118.5380 59.2906 29.4690 178.6883 63 Q 3.8927 8.7762 119.7519 59.6174 28.9246 179.2526 64 R 3.8662 8.4042 119.6690 59.5593 30.0566 178.6154 65 I 3.7117 7.4698 119.4769 64.2470 37.0790 177.7668 66 L 3.8817 8.5008 122.6106 57.3892 41.8127 178.5977 67 A 3.9243 8.2169 120.5706 55.2880 18.3935 179.3963 68 K 3.8281 7.7753 118.0147 59.8374 32.1947 178.9489 69 T 3.8830 8.0591 109.9683 64.9845 68.5583 175.8866 70 I 3.6681 8.1655 123.5427 64.1445 37.1440 178.1999 71 K 3.7268 8.1335 118.8329 59.7407 31.6215 179.5694 72 R 3.7828 7.5285 116.4930 59.0722 30.3386 178.4792 73 A 4.1862 7.9518 120.4808 55.3303 18.4525 179.5858 74 R 4.2803 7.8191 117.9534 58.9972 29.8243 179.4125 75 I 4.0003 7.2781 117.4239 64.3116 37.1260 178.2517 76 L 4.1889 7.6319 119.0532 56.0798 41.5444 178.1455 77 G 4.1560 7.8727 106.0425 45.2604 0.0000 174.8523 78 L 4.1386 7.8905 118.9339 56.8673 42.0278 177.2050 79 L 4.8270 7.4774 116.7447 51.8122 44.9489 174.1826 80 P 4.8177 0.0000 0.0000 62.7077 32.3157 176.0760 81 F 4.3779 8.6434 117.3106 59.4559 39.9539 176.6231 82 T 4.4733 7.4855 110.5597 61.2431 69.8301 171.8453 83 E 4.8128 8.6686 126.8143 54.1752 32.7454 175.5767 84 K 4.2275 8.3198 120.1976 55.5423 32.9477 176.9444 85 L 4.0495 8.4468 125.9758 54.9539 42.5433 176.3110 86 V 4.1751 8.1932 125.5061 62.5398 33.7229 176.7975 87 R 3.9086 7.9870 121.5990 57.1550 28.2940 176.1623 88 K 4.1957 8.7532 114.4718 56.7783 31.4875 175.8719 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 4.22 0.00 2.19 2.25 0.00 3.88 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.96 0.00 17 S 8.01 3.47 0.00 4.06 3.90 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 0.00 0.00 0.00 18 R 7.54 4.25 0.00 1.84 1.89 0.00 3.46 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 19 K 8.60 3.82 0.00 1.86 1.94 0.00 1.63 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.26 1.45 7.81 20 A 8.18 4.67 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 21 K 8.14 4.54 0.00 1.88 1.75 0.00 1.58 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.51 1.70 7.81 22 V 8.00 3.38 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.49 0.00 0.00 0.71 0.00 0.00 23 K 7.94 4.29 0.00 2.07 1.93 0.00 1.98 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.57 1.60 7.81 24 A 8.28 4.16 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.75 4.23 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 1.17 0.00 0.00 26 L 6.76 4.40 0.00 1.86 1.89 0.85 0.79 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 27 G 8.37 4.44 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 0.00 28 E 8.64 3.92 0.00 1.90 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 0.00 2.26 2.19 0.00 29 F 7.48 4.82 0.00 3.13 3.02 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 30 D 8.68 4.59 0.00 2.79 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 8.52 4.12 0.00 1.68 1.74 0.89 1.03 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 32 R 8.18 4.18 0.00 1.78 2.03 0.00 3.28 0.00 0.00 3.18 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 33 D 8.22 4.38 0.00 2.86 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 7.95 4.66 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 35 R 7.35 4.51 0.00 1.65 1.89 0.00 3.13 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.80 0.00 36 N 7.31 4.64 0.00 2.95 2.69 0.00 0.00 6.63 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 7.85 3.55 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 1.05 0.00 0.00 1.00 0.00 0.00 38 E 8.22 3.96 0.00 1.95 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 2.31 2.32 0.00 39 V 7.52 3.89 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 0.83 0.00 0.00 0.59 0.00 0.00 40 L 8.04 4.05 0.00 1.70 1.77 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.50 3.96 0.00 1.85 1.92 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.42 1.50 7.81 42 R 7.91 3.96 0.00 1.75 1.54 0.00 2.99 0.00 0.00 3.03 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 43 F 8.69 4.37 0.00 3.16 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 44 L 6.77 5.02 0.00 1.78 1.59 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.53 4.53 0.00 3.93 3.92 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 0.00 0.00 0.00 46 E 8.75 4.00 0.00 1.96 2.05 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 2.31 2.38 0.00 47 T 7.62 4.36 4.25 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 1.30 0.00 0.00 48 G 8.42 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 49 K 7.71 4.34 0.00 1.76 1.75 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.44 7.81 50 I 8.26 4.29 1.89 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 1.35 0.47 0.94 0.00 0.00 51 L 8.93 4.22 0.00 1.63 1.65 0.93 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.58 0.00 2.20 1.99 0.00 3.63 0.00 0.00 3.79 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 8.57 4.62 0.00 1.84 2.02 0.00 3.76 0.00 0.00 3.32 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.55 0.00 54 R 8.08 3.96 0.00 1.77 2.04 0.00 3.24 0.00 0.00 3.24 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 55 R 7.70 4.43 0.00 1.95 1.94 0.00 3.28 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 56 T 8.75 4.18 4.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 57 G 7.83 3.97 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 0.00 0.00 0.00 58 L 7.52 4.58 0.00 1.72 1.68 0.90 0.94 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 59 S 8.55 4.72 0.00 4.06 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 60 A 8.34 3.96 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 61 K 8.13 3.79 0.00 1.83 1.83 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.55 7.81 62 E 8.33 3.90 0.00 2.30 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 2.30 2.30 0.00 63 Q 8.78 3.89 0.00 2.21 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 64 R 8.40 3.87 0.00 2.02 2.06 0.00 3.15 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 65 I 7.47 3.71 1.99 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 1.40 0.63 0.95 0.00 0.00 66 L 8.50 3.88 0.00 1.49 1.73 0.58 0.53 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 67 A 8.22 3.92 1.37 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 68 K 7.78 3.83 0.00 1.98 1.94 0.00 1.52 0.00 0.00 1.69 0.00 0.00 3.12 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.48 7.81 69 T 8.06 3.88 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 1.40 0.00 0.00 70 I 8.17 3.67 1.96 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 1.49 0.67 0.84 0.00 0.00 71 K 8.13 3.73 0.00 1.93 1.87 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.66 7.81 72 R 7.53 3.78 0.00 2.02 1.71 0.00 3.13 0.00 0.00 2.91 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.75 0.00 73 A 7.95 4.19 1.33 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 0.00 0.00 0.00 74 R 7.82 4.28 0.00 1.51 0.66 0.00 2.76 0.00 0.00 2.29 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.33 0.00 75 I 7.28 4.00 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 1.72 0.75 0.96 0.00 0.00 76 L 7.63 4.19 0.00 1.88 1.78 1.11 1.03 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 77 G 7.87 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 0.00 0.00 0.00 0.00 78 L 7.89 4.14 0.00 1.66 1.76 0.99 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.48 4.83 0.00 1.55 1.40 0.89 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 4.82 0.00 2.20 2.07 0.00 3.70 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.98 0.00 81 F 8.64 4.38 0.00 3.03 3.18 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 0.00 82 T 7.49 4.47 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 1.27 0.00 0.00 83 E 8.67 4.81 0.00 1.97 1.82 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 2.22 2.24 0.00 84 K 8.32 4.23 0.00 1.75 1.75 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.43 7.81 85 L 8.45 4.05 0.00 1.59 1.58 0.92 0.94 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 8.19 4.18 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 0.84 0.00 0.00 0.93 0.00 0.00 87 R 7.99 3.91 0.00 1.97 1.99 0.00 3.25 0.00 0.00 3.22 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.62 0.00 88 K 8.75 4.20 0.00 1.84 2.14 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.28 1.34 7.81