NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4264 8.1633 120.6050 55.4955 34.1199 173.7420 2 Q 4.9381 8.3934 124.3516 52.4027 31.5215 173.0283 3 I 4.4658 9.0349 117.0112 58.9913 42.1280 173.6747 4 F 5.5086 8.9142 120.9643 55.7808 42.3763 175.0441 5 V 4.8182 8.8513 121.3326 60.9126 34.6016 174.4198 6 K 4.5983 9.1506 131.0538 56.4724 33.0780 176.8503 7 T 4.7490 8.7757 119.9006 60.2006 70.7834 175.4281 8 L 4.0783 8.4083 120.4635 57.7998 41.5785 178.5901 9 T 4.0862 7.4633 106.6573 62.2596 69.2089 175.8865 10 G 3.9424 7.9492 110.6986 45.0306 0.0000 173.8358 11 K 4.3047 7.6750 119.4053 56.3154 32.9463 175.5017 12 T 5.2101 8.2272 116.5912 61.8629 70.8284 173.9223 13 I 4.6735 8.8652 119.4470 59.4513 41.2267 174.2489 14 T 5.1479 8.4831 118.8924 61.8500 70.9044 173.6765 15 L 4.7459 8.8817 126.0561 52.7856 44.9718 175.1167 16 E 4.7506 8.6533 124.0391 55.6369 30.2683 175.5382 17 V 4.8263 8.9879 119.8934 59.6072 36.3143 174.3776 18 E 4.8441 9.5412 119.4244 53.6766 32.3491 175.5003 19 P 4.1530 0.0000 0.0000 65.6779 31.2462 177.6595 20 S 4.5828 7.7949 111.9092 57.8972 63.5772 173.8631 21 D 4.4128 7.9792 122.4544 54.8315 41.2651 176.6400 22 T 4.6707 8.2422 113.5219 61.2791 71.1708 175.7571 23 I 3.6974 8.2734 122.9387 64.6887 37.0588 178.4966 24 E 3.9383 8.1275 119.7403 59.0840 29.4022 178.5990 25 N 4.3064 7.9711 116.7821 56.2804 38.5861 177.3982 26 V 3.5611 7.7362 119.5495 66.0154 31.5913 178.1673 27 K 4.1619 8.4888 119.4151 58.9057 31.5208 179.1484 28 A 4.0272 8.1878 121.0455 55.1148 18.2554 179.8966 29 K 3.9659 8.0019 117.0850 59.6238 32.0219 179.7111 30 I 3.8653 8.0364 120.5684 64.2505 36.9497 178.4635 31 Q 4.0960 8.2345 118.6244 59.1145 28.2186 178.2867 32 D 4.3277 7.5976 120.0037 57.1856 40.9329 178.3738 33 K 4.1869 7.5674 116.2336 58.4995 32.4061 178.3318 34 E 4.5322 8.4445 117.0099 55.2604 30.5922 177.1329 35 G 3.8342 7.9123 105.9501 46.0242 0.0000 172.9973 36 I 4.2353 7.5280 120.2787 58.6722 38.1021 174.2301 37 P 4.4432 0.0000 0.0000 61.8658 32.1538 175.8727 38 P 4.3154 0.0000 0.0000 65.7367 31.5214 178.7165 39 D 4.3995 8.1521 116.8627 56.8600 40.9377 176.9589 40 Q 4.6043 8.1134 116.5304 55.7029 29.1615 174.3900 41 Q 4.8205 7.9458 118.8162 54.3077 31.0940 174.4649 42 R 4.6303 8.9930 124.1926 54.5008 32.8580 174.1124 43 L 5.1220 8.4931 125.7983 53.1282 44.5010 175.2451 44 I 5.0460 8.6044 123.8860 59.4569 40.6226 174.3579 45 F 5.1079 9.1465 128.4634 56.8475 42.7496 174.4878 46 A 3.4297 9.0641 128.6981 53.0780 15.8654 178.0289 47 G 3.9715 8.1045 107.9581 46.3934 0.0000 174.3473 48 K 4.3930 7.7527 120.0134 55.0527 33.3687 175.5442 49 Q 4.5810 8.4784 124.3384 56.0529 29.7149 174.9354 50 L 4.2300 8.6259 127.0395 53.6053 43.2733 175.8642 51 E 4.6306 9.3414 123.0614 54.9136 31.5280 176.7348 52 D 4.3657 9.1440 124.0604 57.7650 40.9540 178.8172 53 G 3.9474 8.0147 103.4742 45.9445 0.0000 173.5969 54 R 4.4612 8.0801 120.1124 55.2615 31.2951 175.6482 55 T 4.9659 9.0766 110.1585 59.7590 71.3166 175.8201 56 L 4.0608 8.5919 122.7282 58.1213 41.9984 180.3352 57 S 4.1500 8.2264 113.0451 61.3169 63.0725 175.9528 58 D 4.2888 7.8699 120.2236 57.1542 40.5598 177.0746 59 Y 4.5480 7.5225 112.4167 56.7643 38.0994 174.8801 60 N 4.0526 8.2087 117.7816 54.4030 37.9756 174.9763 61 I 3.5822 7.6424 118.1233 60.7216 37.3250 176.0570 62 Q 4.5836 8.0193 125.9383 53.2017 31.1870 175.3213 63 K 4.1931 8.2354 117.6506 58.6921 32.7564 176.8044 64 E 3.7166 8.9008 119.7322 56.8861 27.9908 174.9380 65 S 4.5132 7.7641 115.8557 59.2476 64.1097 173.2580 66 T 5.2102 8.7673 120.1339 62.2056 69.9685 174.0081 67 L 4.9966 9.1160 126.8855 53.7215 44.5985 175.0942 68 H 5.2102 9.3165 119.7865 54.0799 31.0130 173.3456 69 L 4.9637 8.7112 126.4928 54.1290 43.0873 175.9183 70 V 4.5568 8.6333 125.1736 60.7624 35.3222 174.0229 71 L 4.5150 8.5484 128.6546 54.9773 42.8799 176.0670 72 R 4.3781 8.7341 127.9461 55.1279 30.4268 175.2339 73 L 4.6131 8.3947 127.0272 53.4731 42.8548 177.1441 74 R 4.6031 8.4397 123.2428 55.5344 30.8406 176.3938 75 G 3.9146 8.3103 112.6984 46.1958 0.0000 174.0605 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 1 M 8.16 4.43 0.00 2.17 1.96 0.00 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.50 0.00 2 Q 8.39 4.94 0.00 1.91 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.59 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 3 I 9.03 4.47 1.86 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.01 0.79 0.00 0.00 4 F 8.91 5.51 0.00 2.96 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.85 4.82 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 1.09 0.00 0.00 0.94 0.00 0.00 6 K 9.15 4.60 0.00 1.73 1.58 0.00 1.54 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.43 1.41 7.81 7 T 8.78 4.75 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 1.29 0.00 0.00 8 L 8.41 4.08 0.00 1.66 1.79 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.46 4.09 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 1.21 0.00 0.00 10 G 7.95 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 0.00 0.00 0.00 11 K 7.68 4.30 0.00 1.79 1.75 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.40 7.81 12 T 8.23 5.21 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 1.18 0.00 0.00 13 I 8.87 4.67 1.90 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 1.44 1.35 0.98 0.00 0.00 14 T 8.48 5.15 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 1.14 0.00 0.00 15 L 8.88 4.75 0.00 1.45 1.48 0.89 0.68 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 16 E 8.65 4.75 0.00 1.92 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 2.23 2.36 0.00 17 V 8.99 4.83 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.90 0.00 0.00 18 E 9.54 4.84 0.00 1.92 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 0.00 2.36 2.19 0.00 19 P 0.00 4.15 0.00 2.21 2.34 0.00 3.65 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.98 0.00 20 S 7.79 4.58 0.00 3.86 3.91 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.98 4.41 0.00 2.81 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 22 T 8.24 4.67 4.46 0.00 0.00 0.00 0.00 0.00 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 23 I 8.27 3.70 2.15 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 1.78 1.01 0.90 0.00 0.00 24 E 8.13 3.94 0.00 2.00 1.94 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 2.31 2.50 0.00 25 N 7.97 4.31 0.00 2.93 2.84 0.00 0.00 6.58 8.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 V 7.74 3.56 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.96 0.00 0.00 27 K 8.49 4.16 0.00 2.00 1.84 0.00 1.84 0.00 0.00 1.91 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.64 1.45 7.81 28 A 8.19 4.03 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 29 K 8.00 3.97 0.00 1.97 1.85 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.62 7.81 30 I 8.04 3.87 2.14 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 1.58 0.75 0.95 0.00 0.00 31 Q 8.23 4.10 0.00 2.29 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 32 D 7.60 4.33 0.00 2.85 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 7.57 4.19 0.00 1.78 1.87 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.47 7.81 34 E 8.44 4.53 0.00 2.05 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 2.26 2.44 0.00 35 G 7.91 3.83 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 0.00 0.00 0.00 36 I 7.53 4.24 1.87 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 1.42 0.51 0.91 0.00 0.00 37 P 0.00 4.44 0.00 2.17 1.97 0.00 3.60 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 38 P 0.00 4.32 0.00 2.27 2.19 0.00 3.60 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 39 D 8.15 4.40 0.00 2.67 2.74 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 40 Q 8.11 4.60 0.00 2.25 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.80 0.00 0.00 0.00 0.00 0.00 2.44 2.31 0.00 41 Q 7.95 4.82 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.56 0.00 42 R 8.99 4.63 0.00 1.84 1.82 0.00 3.35 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 43 L 8.49 5.12 0.00 1.58 1.51 0.89 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.60 5.05 1.90 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 1.13 0.94 0.92 0.00 0.00 45 F 9.15 5.11 0.00 2.94 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.06 3.43 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.10 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 48 K 7.75 4.39 0.00 2.02 1.77 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.51 7.81 49 Q 8.48 4.58 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 50 L 8.63 4.23 0.00 1.39 1.22 0.73 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.34 4.63 0.00 1.99 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 2.43 2.51 0.00 52 D 9.14 4.37 0.00 2.72 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 53 G 8.01 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 0.00 0.00 0.00 54 R 8.08 4.46 0.00 2.10 1.83 0.00 3.12 0.00 0.00 3.02 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.80 0.00 55 T 9.08 4.97 4.34 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 1.25 0.00 0.00 56 L 8.59 4.06 0.00 1.91 1.70 0.89 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.23 4.15 0.00 4.00 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 58 D 7.87 4.29 0.00 2.66 2.42 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 59 Y 7.52 4.55 0.00 3.06 2.97 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 60 N 8.21 4.05 0.00 2.77 2.93 0.00 0.00 7.12 7.62 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 61 I 7.64 3.58 1.72 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.29 0.53 0.00 0.00 62 Q 8.02 4.58 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.97 0.00 0.00 0.00 0.00 0.00 2.29 2.45 0.00 63 K 8.24 4.19 0.00 1.79 1.75 0.00 1.57 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.50 7.81 64 E 8.90 3.72 0.00 2.23 2.42 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 2.39 2.31 0.00 65 S 7.76 4.51 0.00 3.71 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 T 8.77 5.21 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 67 L 9.12 5.00 0.00 1.62 1.60 0.82 0.75 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 68 H 9.32 5.21 0.00 3.01 3.22 0.00 5.60 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.71 4.96 0.00 1.64 1.73 1.01 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.63 4.56 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 0.98 0.00 0.00 0.94 0.00 0.00 71 L 8.55 4.52 0.00 1.68 1.56 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.73 4.38 0.00 1.85 1.87 0.00 3.52 0.00 0.00 3.23 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 73 L 8.39 4.61 0.00 1.66 1.59 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.44 4.60 0.00 1.77 1.91 0.00 3.23 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 75 G 8.31 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00