NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 Y 4.6034 8.0033 121.6952 57.8194 39.7015 174.4242 12 Q 4.0687 8.3190 125.6365 56.3935 30.0458 173.9556 13 T 4.1823 6.9813 109.9933 59.9744 71.5614 172.2961 14 A 3.9888 8.2156 127.0144 51.2876 18.6841 175.9464 15 P 4.6337 0.0000 0.0000 61.4760 32.5531 175.7247 16 F 4.1796 8.7838 120.4340 59.0074 39.6820 173.9516 17 D 4.5632 7.7858 125.4324 52.0800 43.1640 176.2190 18 S 3.9835 8.2513 121.1650 60.1197 63.2463 175.3094 19 R 3.8284 8.2862 120.0296 57.9410 30.2502 176.9911 20 F 4.9439 7.7865 116.4207 55.4289 39.5432 172.6041 21 P 4.7226 0.0000 0.0000 63.3620 32.3360 176.2419 22 N 5.1208 7.7272 116.1559 51.3991 41.2983 174.3197 23 Q 4.0493 8.6422 117.1112 58.8228 28.8416 176.4206 24 N 4.6672 8.1204 116.5195 53.1316 39.1014 174.6478 25 Q 4.6064 8.5449 123.8594 56.0062 29.5567 177.2813 26 T 4.2125 8.1585 119.4234 67.0868 68.5103 176.3127 27 R 4.1325 8.0276 119.7192 58.8224 30.1559 177.7655 28 N 3.1400 7.5331 116.7118 56.3000 38.9610 176.7834 29 C 4.3220 8.0020 119.3523 59.8390 40.6108 175.5535 30 W 4.1549 8.4004 129.3319 60.2961 30.3275 177.7754 31 Q 3.7284 8.5718 119.9873 59.4147 28.6272 178.0508 32 N 4.6013 8.2521 117.4683 56.3682 38.6573 176.8801 33 Y 3.6233 8.2405 121.0774 60.4467 38.8307 177.7778 34 L 3.5970 8.0260 120.1902 57.8720 41.6320 178.9147 35 D 4.0202 8.2411 118.8584 57.5148 40.6396 179.2438 36 F 4.2281 8.1281 120.5987 61.7432 39.4422 176.8268 37 H 3.8625 7.8052 114.7988 57.8146 28.3971 178.1676 38 R 3.7291 8.0017 120.8735 59.1581 30.0730 177.7548 39 C 4.0467 8.1075 118.6259 59.8470 39.0444 175.1029 40 E 3.5503 7.8148 120.9855 59.1106 28.9105 178.8455 41 K 3.8009 7.6686 118.8191 59.3386 32.1836 178.6478 42 A 3.9300 8.0494 121.2005 55.4887 18.0938 179.4658 43 M 3.9877 7.5836 115.5219 58.9723 32.1181 178.8363 44 T 4.1001 7.5745 114.1628 64.1166 68.9780 177.0471 45 A 3.9473 9.1667 117.9284 54.3931 17.9010 179.3185 46 K 3.6113 5.6600 118.4100 57.1600 33.4285 178.2504 47 G 3.6787 11.0478 101.8155 48.1985 0.0000 174.2899 48 G 3.7401 7.4485 115.6913 45.7397 0.0000 169.7539 49 D 4.6673 7.7977 121.3582 52.4881 41.3582 178.0781 50 V 3.6437 8.3374 127.7814 65.8010 30.9679 177.2578 51 S 4.3921 8.1960 112.7049 60.2315 62.6307 176.0980 52 V 3.8699 7.7759 115.5470 63.3704 31.1725 176.4016 53 C 4.7687 8.4883 116.3966 57.3802 41.1923 174.8385 54 E 3.9079 7.8936 121.5338 58.9282 29.1151 178.1864 55 W 4.1487 8.2129 127.8633 61.0080 30.6980 177.3815 56 Y 4.3541 7.4348 115.6313 61.1904 37.2791 178.7378 57 R 3.1870 7.9694 119.2403 58.9179 30.0995 178.7083 58 R 3.3434 7.4597 117.9505 58.8197 29.9386 179.0951 59 V 3.5503 7.5004 119.5943 65.6293 31.5732 177.7254 60 Y 4.3727 8.0586 117.4134 59.9478 37.7150 178.0552 61 K 3.8878 7.1346 119.7696 59.2436 32.0886 179.1701 62 S 4.2455 7.8678 114.9163 61.2016 62.8203 176.0019 63 L 4.3063 7.7228 120.2092 55.5194 42.2265 176.6094 64 C 4.5270 7.7451 116.0627 54.8140 36.4462 172.4513 65 P 4.1150 0.0000 0.0000 62.8392 32.6235 177.5871 66 I 3.7161 8.1192 122.0121 64.5484 37.1681 179.0213 67 S 4.1095 7.9068 114.5597 60.9118 62.8653 176.6157 68 W 3.6096 7.7944 122.2963 59.3385 28.8043 178.0877 69 V 3.5311 7.3106 118.0033 66.3773 30.8431 178.0195 70 S 4.2010 8.2737 112.6603 61.7382 62.2115 176.2753 71 T 3.9370 7.9751 118.4653 66.4002 68.1076 176.8548 72 W 4.7441 8.5499 121.3695 59.9423 29.0356 178.2799 73 D 4.4586 8.9069 119.2946 57.6995 40.2138 178.6513 74 D 4.4702 8.4881 119.4018 57.3757 40.7156 179.0142 75 R 4.1591 8.2032 118.5836 58.9836 30.1197 179.0903 76 R 3.9955 8.4887 118.0045 59.1896 29.7658 178.8961 77 A 4.1084 7.9908 119.8713 54.9360 18.4658 178.7359 78 E 4.2236 7.8603 116.4814 56.9730 29.8754 177.4724 79 G 4.0162 7.9119 105.2047 45.7544 0.0000 173.5730 80 T 4.5681 7.9702 107.3510 60.8431 69.0504 173.5501 81 F 4.4017 8.3654 124.8272 57.9245 39.7109 173.4284 82 P 4.3468 0.0000 0.0000 63.5257 31.9021 176.3398 83 G 3.8612 6.4046 107.9171 44.4086 0.0000 172.7534 84 K 4.3898 8.3551 120.9028 54.9596 32.9316 176.5198 85 I 4.0614 8.2823 126.0699 61.4847 37.6411 175.3236 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 11 Y 8.00 4.60 0.00 3.04 2.88 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 12 Q 8.32 4.07 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.61 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 13 T 6.98 4.18 4.13 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 0.00 0.00 1.13 0.00 0.00 14 A 8.22 3.99 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 15 P 0.00 4.63 0.00 2.37 2.23 0.00 4.07 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 16 F 8.78 4.18 0.00 2.99 3.10 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 17 D 7.79 4.56 0.00 2.76 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.25 3.98 0.00 4.08 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 19 R 8.29 3.83 0.00 0.67 1.09 0.00 2.93 0.00 0.00 3.16 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.49 0.00 20 F 7.79 4.94 0.00 2.93 2.94 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 21 P 0.00 4.72 0.00 2.36 2.36 0.00 3.78 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.03 0.00 22 N 7.73 5.12 0.00 2.81 2.87 0.00 0.00 7.01 7.69 0.00 0.00 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 Q 8.64 4.05 0.00 2.09 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.97 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 24 N 8.12 4.67 0.00 2.74 2.82 0.00 0.00 6.86 7.08 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 25 Q 8.54 4.61 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.64 0.00 0.00 0.00 0.00 0.00 2.58 2.42 0.00 26 T 8.16 4.21 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 1.35 0.00 0.00 27 R 8.03 4.13 0.00 2.00 2.06 0.00 3.35 0.00 0.00 3.54 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.96 0.00 28 N 7.53 3.14 0.00 2.34 2.76 0.00 0.00 6.85 7.65 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 29 C 8.00 4.32 0.00 3.22 3.53 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.40 4.15 0.00 3.54 3.34 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 31 Q 8.57 3.73 0.00 2.41 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.57 0.00 0.00 0.00 0.00 0.00 2.69 2.71 0.00 32 N 8.25 4.60 0.00 3.09 3.13 0.00 0.00 6.75 7.63 0.00 0.00 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 Y 8.24 3.62 0.00 3.12 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 34 L 8.03 3.60 0.00 1.44 1.36 -0.07 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 35 D 8.24 4.02 0.00 2.15 1.54 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 36 F 8.13 4.23 0.00 3.33 3.15 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 37 H 7.81 3.86 0.00 2.92 3.06 0.00 5.86 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 R 8.00 3.73 0.00 1.64 1.84 0.00 2.96 0.00 0.00 2.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 39 C 8.11 4.05 0.00 3.01 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 40 E 7.81 3.55 0.00 1.44 1.64 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 2.08 1.57 0.00 41 K 7.67 3.80 0.00 1.90 1.82 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.39 7.81 42 A 8.05 3.93 1.32 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 0.00 0.00 0.00 43 M 7.58 3.99 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.87 0.00 44 T 7.57 4.10 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 1.19 0.00 0.00 45 A 9.17 3.95 1.24 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 0.00 0.00 46 K 5.66 3.61 0.00 1.70 1.87 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.64 7.81 47 G 11.05 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 G 7.45 3.74 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 0.00 0.00 0.00 49 D 7.80 4.67 0.00 2.71 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.34 3.64 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 1.11 0.00 0.00 0.88 0.00 0.00 51 S 8.20 4.39 0.00 4.11 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 52 V 7.78 3.87 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 0.77 0.00 0.00 0.95 0.00 0.00 53 C 8.49 4.77 0.00 3.13 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 54 E 7.89 3.91 0.00 2.26 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 2.28 2.28 0.00 55 W 8.21 4.15 0.00 3.33 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 Y 7.43 4.35 0.00 3.56 3.32 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 0.00 57 R 7.97 3.19 0.00 1.13 1.64 0.00 2.83 0.00 0.00 2.95 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.50 0.00 58 R 7.46 3.34 0.00 1.07 0.66 0.00 2.91 0.00 0.00 2.88 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.02 0.00 59 V 7.50 3.55 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 1.19 0.00 0.00 0.38 0.00 0.00 60 Y 8.06 4.37 0.00 3.41 3.42 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 61 K 7.13 3.89 0.00 1.56 1.67 0.00 1.53 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.80 1.08 7.81 62 S 7.87 4.25 0.00 4.05 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 63 L 7.72 4.31 0.00 1.72 1.74 0.98 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 64 C 7.75 4.53 0.00 3.31 3.06 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 65 P 0.00 4.12 0.00 0.83 1.38 0.00 2.20 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.42 0.00 66 I 8.12 3.72 1.81 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.58 0.90 0.00 0.00 67 S 7.91 4.11 0.00 4.06 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 68 W 7.79 3.61 0.00 2.75 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 0.00 0.00 0.00 0.00 69 V 7.31 3.53 2.29 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 1.34 0.00 0.00 1.21 0.00 0.00 70 S 8.27 4.20 0.00 3.95 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 71 T 7.98 3.94 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 1.22 0.00 0.00 72 W 8.55 4.74 0.00 3.25 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 73 D 8.91 4.46 0.00 2.96 2.82 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 0.00 0.00 0.00 74 D 8.49 4.47 0.00 2.93 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 75 R 8.20 4.16 0.00 2.23 2.20 0.00 3.35 0.00 0.00 3.28 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.93 0.00 76 R 8.49 4.00 0.00 1.91 1.89 0.00 2.70 0.00 0.00 2.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.30 0.00 77 A 7.99 4.11 1.39 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 78 E 7.86 4.22 0.00 2.08 2.19 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 2.34 2.35 0.00 79 G 7.91 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 0.00 0.00 0.00 80 T 7.97 4.57 4.28 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 1.30 0.00 0.00 81 F 8.37 4.40 0.00 3.08 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 82 P 0.00 4.35 0.00 2.03 2.01 0.00 2.78 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 83 G 6.40 3.86 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 0.00 0.00 0.00 84 K 8.36 4.39 0.00 1.73 1.73 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.44 7.81 85 I 8.28 4.06 1.83 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.86 0.81 0.00 0.00