NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 K 4.2062 8.3101 121.7903 55.1112 34.3718 175.6881 20 A 5.1097 7.3524 130.4488 52.1140 19.5054 173.4146 21 K 4.2108 7.4860 119.4111 55.7456 32.6289 176.8966 22 V 3.9351 8.0624 123.0267 63.6997 31.9410 178.1497 23 K 3.9779 8.5464 120.7329 60.4320 32.1012 178.3259 24 A 4.3555 7.9077 117.9085 53.7484 18.5341 178.0251 25 T 4.1546 7.4454 112.5740 64.6965 68.8522 174.2457 26 L 4.9743 7.5114 120.2848 52.8686 46.7314 178.1406 27 G 4.3895 8.1555 115.0129 45.6481 0.0000 177.6601 28 E 4.4225 8.8965 125.1678 54.1515 28.0719 173.7478 29 F 4.8489 7.9782 117.1296 54.4648 40.3767 175.6548 30 D 4.4205 8.5999 124.1851 53.2891 40.7627 176.5907 31 L 4.8781 8.0030 132.7136 55.0024 39.8278 177.1578 32 R 4.5858 7.8477 115.2725 57.1310 33.4465 174.5416 33 D 4.4671 8.0489 117.7661 54.1001 41.6294 175.6167 34 Y 4.9551 7.4176 124.7402 56.8677 38.5669 176.5389 35 R 4.5574 7.8585 118.2103 56.9909 33.6052 176.4216 36 N 4.6984 8.0444 117.1862 52.5770 35.8589 175.9576 37 V 3.5235 7.5669 116.2343 65.8067 32.0085 178.1590 38 E 4.0749 8.1540 116.5891 59.5578 29.4672 179.3486 39 V 3.4142 7.8071 118.3753 65.7271 31.6218 177.8878 40 L 4.1321 7.7533 117.8719 57.9589 41.4884 179.2537 41 K 3.8390 8.2638 118.2127 59.2654 31.8612 176.7955 42 R 4.2037 7.0649 117.1570 56.5457 29.7574 176.0345 43 F 5.3532 8.2569 113.2874 56.6275 40.3592 175.8202 44 L 5.5428 8.0543 118.5741 56.0924 42.9349 176.0269 45 S 3.5361 7.7033 113.2306 59.8245 64.5199 172.7071 46 E 4.7382 8.7599 124.0260 56.5659 30.3608 176.3521 47 T 4.8628 7.4164 110.4138 60.3788 70.6511 175.2010 48 G 4.0381 7.4845 107.1742 44.9315 0.0000 174.0870 49 K 4.3726 7.9727 119.5852 55.7443 33.8197 176.3275 50 I 4.1794 8.2105 123.7512 61.4943 37.4748 176.0345 51 L 4.4746 8.4246 127.9213 53.5422 42.5559 175.5308 52 P 4.5176 0.0000 0.0000 62.2229 32.5525 177.4632 53 R 4.0840 8.5088 117.7236 58.7551 30.1511 179.2211 54 R 3.9487 8.0642 115.7466 58.6638 29.6966 175.7424 55 R 4.5358 7.8541 114.2559 57.0057 33.2691 177.5583 56 T 3.9762 8.0746 107.6208 63.3744 68.8121 172.0810 57 G 4.0934 7.8279 111.2587 45.5458 0.0000 171.8476 58 L 4.8893 7.5717 123.1598 52.2362 46.3548 176.6309 59 S 4.5008 9.2716 115.9104 57.7163 65.4057 174.3580 60 A 3.9201 8.5063 122.5109 55.5079 17.7316 179.3753 61 K 3.8080 8.0619 116.6758 59.1738 32.1039 178.8546 62 E 3.9574 7.7739 118.4765 59.2232 29.3045 178.5672 63 Q 4.0238 8.3313 119.5044 59.2603 29.0626 177.9116 64 R 4.0760 8.0283 120.2143 58.7491 30.3064 178.4635 65 I 3.8483 7.6794 112.8876 63.9697 37.6015 177.1058 66 L 4.0295 8.4475 123.8501 57.9508 41.8131 178.3857 67 A 4.0276 8.1279 119.9957 54.8901 18.6249 179.4486 68 K 3.7976 7.9523 117.2240 60.2248 32.1697 179.3736 69 T 3.9144 7.6327 108.7277 65.0242 68.3789 175.9301 70 I 3.6718 7.6243 121.5887 64.2860 37.4925 177.8665 71 K 4.0489 8.6009 119.0800 59.9307 32.0163 178.8411 72 R 3.7971 7.7727 117.0856 59.5557 30.0595 178.4514 73 A 4.0453 7.8294 119.5102 55.6585 18.1591 179.5687 74 R 3.8986 7.4690 116.1266 58.9440 30.3225 178.9741 75 I 4.1082 7.8187 119.2276 64.0656 37.0442 177.6255 76 L 4.6118 8.0043 118.4842 54.5680 41.4570 178.5805 77 G 3.9902 7.7915 105.3057 45.9977 0.0000 175.5812 78 L 4.0468 6.9441 119.5550 56.7598 42.1488 177.2419 79 L 4.1175 7.5537 118.7086 54.0607 42.8987 175.5450 80 P 4.4073 0.0000 0.0000 62.7800 31.9619 176.3337 81 F 4.5554 8.3502 118.2041 59.4663 39.9705 176.6541 82 T 4.6740 7.1994 112.3918 62.8229 71.8125 172.4300 83 E 4.8610 8.9508 122.9021 54.5312 33.6431 174.4183 84 K 4.5536 8.4392 119.5077 54.5195 33.6514 176.6553 85 L 3.8775 8.6207 125.8515 55.7060 42.3927 177.2755 86 V 3.9781 8.0817 125.1085 61.5324 30.6437 170.8927 87 R 4.0604 8.4116 131.7693 55.2051 31.2988 175.9430 88 K 4.1619 8.4533 123.9090 56.6008 32.5276 175.4612 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 19 K 8.31 4.21 0.00 1.72 1.91 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.51 7.81 20 A 7.35 5.11 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 21 K 7.49 4.21 0.00 1.83 1.84 0.00 1.73 0.00 0.00 1.77 0.00 0.00 3.10 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.39 7.81 22 V 8.06 3.94 2.27 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 1.23 0.00 0.00 1.04 0.00 0.00 23 K 8.55 3.98 0.00 2.29 1.86 0.00 1.79 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.53 7.81 24 A 7.91 4.36 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 7.45 4.15 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 1.13 0.00 0.00 26 L 7.51 4.97 0.00 1.28 1.20 -0.01 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.16 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 0.00 0.00 0.00 0.00 28 E 8.90 4.42 0.00 2.00 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 2.26 2.31 0.00 29 F 7.98 4.85 0.00 3.16 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 30 D 8.60 4.42 0.00 2.76 2.64 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 31 L 8.00 4.88 0.00 1.94 1.91 0.96 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 32 R 7.85 4.59 0.00 1.73 2.26 0.00 3.34 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 33 D 8.05 4.47 0.00 2.59 2.54 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 34 Y 7.42 4.96 0.00 3.11 3.01 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 0.00 0.00 0.00 35 R 7.86 4.56 0.00 1.75 1.86 0.00 3.09 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.43 0.00 36 N 8.04 4.70 0.00 2.87 3.00 0.00 0.00 6.24 7.68 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 37 V 7.57 3.52 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 0.86 0.00 0.00 0.95 0.00 0.00 38 E 8.15 4.07 0.00 1.87 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 2.27 2.34 0.00 39 V 7.81 3.41 2.24 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 0.78 0.00 0.00 0.88 0.00 0.00 40 L 7.75 4.13 0.00 1.86 1.83 1.06 0.98 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 41 K 8.26 3.84 0.00 1.62 1.79 0.00 1.66 0.00 0.00 1.60 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.47 7.81 42 R 7.06 4.20 0.00 1.46 1.26 0.00 3.01 0.00 0.00 3.08 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.43 0.00 43 F 8.26 5.35 0.00 3.32 2.83 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 44 L 8.05 5.54 0.00 1.85 1.58 1.07 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 45 S 7.70 3.54 0.00 4.06 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 46 E 8.76 4.74 0.00 1.94 1.95 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 2.19 2.19 0.00 47 T 7.42 4.86 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 1.23 0.00 0.00 48 G 7.48 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 0.00 0.00 0.00 49 K 7.97 4.37 0.00 1.76 1.76 0.00 1.69 0.00 0.00 1.84 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.56 1.50 7.81 50 I 8.21 4.18 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.74 0.89 0.00 0.00 51 L 8.42 4.47 0.00 1.66 1.65 1.05 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.52 0.00 2.29 2.18 0.00 3.73 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.00 0.00 53 R 8.51 4.08 0.00 1.89 2.03 0.00 3.42 0.00 0.00 3.29 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.60 0.00 54 R 8.06 3.95 0.00 1.80 2.05 0.00 3.15 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 55 R 7.85 4.54 0.00 1.92 1.86 0.00 3.34 0.00 0.00 3.24 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 56 T 8.07 3.98 4.21 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 1.32 0.00 0.00 57 G 7.83 4.09 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 0.00 0.00 0.00 58 L 7.57 4.89 0.00 1.64 1.61 0.95 0.94 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 9.27 4.50 0.00 4.00 4.15 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 60 A 8.51 3.92 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 61 K 8.06 3.81 0.00 1.82 1.83 0.00 1.70 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.54 7.81 62 E 7.77 3.96 0.00 2.18 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 2.26 2.28 0.00 63 Q 8.33 4.02 0.00 2.21 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.82 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 64 R 8.03 4.08 0.00 1.91 1.87 0.00 3.18 0.00 0.00 3.21 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 65 I 7.68 3.85 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 1.35 0.86 0.91 0.00 0.00 66 L 8.45 4.03 0.00 1.71 1.61 0.69 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.13 4.03 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 68 K 7.95 3.80 0.00 2.02 1.88 0.00 1.56 0.00 0.00 1.87 0.00 0.00 3.08 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.50 7.81 69 T 7.63 3.91 4.38 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 1.40 0.00 0.00 70 I 7.62 3.67 2.06 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.64 0.93 0.00 0.00 71 K 8.60 4.05 0.00 1.97 1.93 0.00 1.72 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.70 7.81 72 R 7.77 3.80 0.00 1.96 1.71 0.00 2.90 0.00 0.00 2.64 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.74 0.00 73 A 7.83 4.05 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 7.47 3.90 0.00 1.68 1.41 0.00 2.98 0.00 0.00 2.92 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.23 0.00 75 I 7.82 4.11 2.07 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 1.69 1.23 0.95 0.00 0.00 76 L 8.00 4.61 0.00 1.86 1.71 0.94 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 77 G 7.79 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 0.00 0.00 0.00 78 L 6.94 4.05 0.00 1.64 1.57 0.99 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.55 4.12 0.00 1.56 1.47 0.97 0.99 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 80 P 0.00 4.41 0.00 2.03 1.98 0.00 3.61 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 2.08 0.00 81 F 8.35 4.56 0.00 3.06 3.04 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 82 T 7.20 4.67 4.31 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 1.29 0.00 0.00 83 E 8.95 4.86 0.00 1.96 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 2.18 2.26 0.00 84 K 8.44 4.55 0.00 1.67 1.78 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.77 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.37 7.81 85 L 8.62 3.88 0.00 1.59 1.59 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 86 V 8.08 3.98 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 0.85 0.00 0.00 0.98 0.00 0.00 87 R 8.41 4.06 0.00 1.99 1.94 0.00 3.23 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 88 K 8.45 4.16 0.00 1.70 1.60 0.00 1.86 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.30 1.39 7.81