NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.3667 8.3044 120.3484 55.3113 33.3861 174.3504 1 N 4.4819 8.6586 124.8289 51.5799 40.0340 168.6884 2 V 4.3617 7.9698 124.9870 60.0735 34.6082 172.9947 3 P 4.9553 0.0000 0.0000 62.2692 32.1905 176.0690 4 D 4.5969 8.7256 120.1746 57.3058 42.0136 176.1401 5 M 5.3570 7.8091 116.1838 54.0894 36.3615 173.8537 6 I 5.0100 9.0574 124.9169 59.6936 41.3274 174.0801 7 L 5.1729 8.9967 128.0631 53.3573 43.6319 175.4190 8 Y 5.1867 8.2725 121.3646 54.5573 42.4521 174.2649 9 N 4.2338 8.9031 114.2562 55.0781 37.5027 172.0766 10 G 4.1162 8.2286 105.5094 44.5178 0.0000 171.6627 11 K 5.0106 8.6876 119.1925 54.6791 35.2209 175.8669 12 I 4.8392 8.7540 126.0592 59.7370 40.8791 175.0170 13 T 4.8455 8.6756 123.9294 63.3197 68.9332 174.6389 14 T 4.3124 8.3839 114.3848 60.2871 71.1491 175.1450 15 L 3.6090 8.1249 119.3267 55.1287 38.9495 173.3215 16 D 4.7272 7.8848 119.7331 51.8697 41.0931 175.0174 17 P 4.2815 0.0000 0.0000 65.8084 31.5689 178.3482 18 S 4.3146 8.5338 114.1819 61.2389 61.7410 174.8039 19 Q 4.5868 8.3488 118.7723 53.9003 29.3402 172.6780 20 P 4.5143 0.0000 0.0000 65.8186 32.6779 176.0272 21 E 5.1917 7.7227 117.4579 54.4811 32.7153 174.9993 22 V 4.7835 8.9818 118.7618 60.0243 36.4709 175.6734 23 S 5.4062 9.0409 113.0208 57.6701 64.9228 173.4329 24 A 5.0415 8.4700 122.1115 50.7667 22.9788 174.8516 25 I 5.1215 9.0531 118.9647 59.3723 42.3023 173.5770 26 A 5.2096 9.1529 129.6015 50.1865 22.0256 175.2502 27 I 5.0100 9.1667 122.4671 59.7941 40.8354 174.9348 28 T 4.8540 9.0118 122.9336 62.1819 72.2406 174.1013 29 D 4.3511 10.6100 129.1900 55.4548 39.0103 175.0941 30 G 3.9798 8.3981 104.6996 45.4644 0.0000 173.5808 31 L 4.7119 7.7552 120.1381 52.4885 44.1426 175.9316 32 I 4.3701 8.3096 123.4847 61.7915 36.9831 175.8819 33 T 4.5798 8.3534 115.4902 61.6861 69.9053 174.3977 34 A 4.6657 7.5110 122.1985 51.3759 22.5132 175.5403 35 V 4.7973 8.9420 112.6020 58.3015 35.7058 176.9679 36 G 4.1352 7.7169 111.4465 46.5576 0.0000 170.3409 37 G 4.7550 8.6248 113.9081 43.8946 0.0000 173.0522 38 D 4.4555 8.8189 118.2891 57.1715 40.7334 178.1987 39 E 4.0011 8.2362 117.6319 59.1034 29.2938 178.9549 40 L 4.0167 7.9663 120.3774 57.6889 41.7597 179.1744 41 L 3.9181 7.9680 118.7273 57.4203 41.2187 179.0335 42 N 4.4668 7.8593 115.8998 55.3792 38.5233 175.9387 43 S 4.3261 7.9492 113.3257 58.8106 63.8152 174.4277 44 A 4.2757 7.4172 124.3118 52.0408 19.0181 176.1429 45 T 4.7507 8.1267 109.2027 59.2564 71.9673 174.8069 46 E 3.9553 8.7944 120.1311 59.3427 29.3475 178.8174 47 K 4.1924 7.6921 115.8760 57.9649 32.5234 177.0806 48 T 4.3845 7.8617 117.3076 63.0569 69.2815 174.4654 49 K 4.3690 9.1261 126.8084 55.6477 33.5718 175.8144 50 K 5.1416 8.7413 124.6568 54.7195 34.3326 175.6415 51 I 4.5100 8.9326 126.0229 59.3027 40.3229 174.5009 52 D 3.5201 8.5456 127.2317 53.1993 41.1930 175.9835 53 L 4.0114 8.6685 127.4155 55.1524 42.0074 177.3445 54 K 3.5994 9.0882 117.8259 57.5720 30.0355 175.9896 55 R 3.9775 8.4284 113.7598 56.5261 28.7195 177.2784 56 K 4.2482 7.7011 118.2160 56.1287 33.5319 176.1647 57 R 4.6362 8.4916 123.3419 56.0505 30.7129 175.1910 58 A 4.7168 8.8224 129.4016 50.3876 20.4839 176.1524 59 I 4.4908 8.1402 123.0280 58.4071 40.2523 173.9523 60 P 4.3357 0.0000 0.0000 62.4152 31.8093 176.6009 61 G 3.6291 8.3701 110.7871 45.0828 0.0000 173.1449 62 L 3.9597 8.4055 124.7864 54.6474 41.9825 176.3638 63 N 4.8648 8.5806 123.9485 50.9539 38.5324 172.9885 64 D 4.8150 8.1869 122.5211 52.0240 44.5355 176.4176 65 S 4.1293 8.7831 119.9580 61.2756 62.9605 174.6665 66 H 4.7011 7.9778 115.9098 55.6610 28.9354 174.8427 67 I 4.5356 7.6316 120.6987 59.4490 39.7813 174.2540 68 H 4.6778 8.7591 123.9675 54.1722 31.3167 173.2328 69 V 3.9593 8.0369 127.1783 61.5128 31.8947 175.2925 70 I 3.9973 8.3557 128.9936 61.4970 37.6318 175.9876 71 R 4.4367 8.5551 123.6619 56.4957 31.4089 177.9335 72 G 3.8269 8.0554 105.1224 46.5451 0.0000 173.5671 73 L 4.2101 7.3667 124.2675 54.8913 41.6952 176.4803 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 0 M 8.30 4.37 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.53 0.00 1 N 8.66 4.48 0.00 2.80 2.69 0.00 0.00 6.87 6.83 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 2 V 7.97 4.36 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 0.92 0.00 0.00 0.93 0.00 0.00 3 P 0.00 4.96 0.00 2.39 2.04 0.00 3.58 0.00 0.00 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.94 0.00 4 D 8.73 4.60 0.00 2.74 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 5 M 7.81 5.36 0.00 2.05 1.84 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.60 0.00 6 I 9.06 5.01 1.92 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 1.25 0.71 1.05 0.00 0.00 7 L 9.00 5.17 0.00 1.60 1.57 0.92 0.59 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 8 Y 8.27 5.19 0.00 3.00 3.03 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 0.00 0.00 0.00 0.00 9 N 8.90 4.23 0.00 3.08 2.77 0.00 0.00 6.50 7.92 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 10 G 8.23 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 0.00 0.00 0.00 11 K 8.69 5.01 0.00 1.68 1.70 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.37 7.81 12 I 8.75 4.84 1.97 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 1.22 0.85 0.91 0.00 0.00 13 T 8.68 4.85 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 14 T 8.38 4.31 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 1.22 0.00 0.00 15 L 8.12 3.61 0.00 1.84 1.87 0.92 0.97 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 16 D 7.88 4.73 0.00 2.68 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.28 0.00 2.08 2.13 0.00 3.73 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 2.03 2.13 0.00 18 S 8.53 4.31 0.00 3.95 3.93 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 19 Q 8.35 4.59 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.79 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 20 P 0.00 4.51 0.00 2.14 2.36 0.00 3.64 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.97 0.00 21 E 7.72 5.19 0.00 1.91 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.26 0.00 22 V 8.98 4.78 2.25 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 0.71 0.00 0.00 0.98 0.00 0.00 23 S 9.04 5.41 0.00 3.93 4.08 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 24 A 8.47 5.04 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 I 9.05 5.12 1.89 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 1.17 1.72 0.93 0.00 0.00 26 A 9.15 5.21 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 27 I 9.17 5.01 1.88 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 1.24 0.73 0.92 0.00 0.00 28 T 9.01 4.85 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 29 D 10.61 4.35 0.00 2.71 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 30 G 8.40 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 31 L 7.76 4.71 0.00 1.78 1.55 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 32 I 8.31 4.37 1.87 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 1.47 0.74 0.92 0.00 0.00 33 T 8.35 4.58 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 1.24 0.00 0.00 34 A 7.51 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 35 V 8.94 4.80 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 0.74 0.00 0.00 0.94 0.00 0.00 36 G 7.72 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 8.62 4.76 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 0.00 0.00 0.00 38 D 8.82 4.46 0.00 2.69 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 39 E 8.24 4.00 0.00 2.14 2.21 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 2.36 2.35 0.00 40 L 7.97 4.02 0.00 1.95 1.76 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 41 L 7.97 3.92 0.00 1.66 1.55 0.40 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 42 N 7.86 4.47 0.00 2.83 2.86 0.00 0.00 6.99 7.73 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 43 S 7.95 4.33 0.00 3.96 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 44 A 7.42 4.28 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 45 T 8.13 4.75 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 1.20 0.00 0.00 46 E 8.79 3.96 0.00 1.97 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 0.00 2.32 2.34 0.00 47 K 7.69 4.19 0.00 1.77 1.86 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.47 1.40 7.81 48 T 7.86 4.38 4.33 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 1.27 0.00 0.00 49 K 9.13 4.37 0.00 1.75 1.76 0.00 1.52 0.00 0.00 1.86 0.00 0.00 3.06 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.44 1.47 7.81 50 K 8.74 5.14 0.00 1.71 1.86 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.60 7.81 51 I 8.93 4.51 1.87 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 1.13 0.76 0.85 0.00 0.00 52 D 8.55 3.52 0.00 2.44 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 53 L 8.67 4.01 0.00 1.72 1.60 0.88 0.54 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 54 K 9.09 3.60 0.00 1.78 1.81 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.33 1.50 7.81 55 R 8.43 3.98 0.00 1.92 2.07 0.00 3.57 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.72 0.00 56 K 7.70 4.25 0.00 1.76 1.70 0.00 1.74 0.00 0.00 1.54 0.00 0.00 2.79 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.42 7.81 57 R 8.49 4.64 0.00 1.81 1.83 0.00 3.21 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 58 A 8.82 4.72 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.14 4.49 1.86 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 1.41 0.71 0.91 0.00 0.00 60 P 0.00 4.34 0.00 2.03 1.99 0.00 3.68 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 2.03 2.09 0.00 61 G 8.37 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.41 3.96 0.00 1.61 1.61 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 63 N 8.58 4.86 0.00 2.80 2.78 0.00 0.00 5.97 8.06 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 64 D 8.19 4.81 0.00 2.72 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 S 8.78 4.13 0.00 3.90 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 66 H 7.98 4.70 0.00 3.16 3.39 0.00 5.79 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 7.63 4.54 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 1.22 0.90 0.92 0.00 0.00 68 H 8.76 4.68 0.00 3.06 3.19 0.00 5.91 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 8.04 3.96 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 0.84 0.00 0.00 0.94 0.00 0.00 70 I 8.36 4.00 1.89 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 1.48 0.72 0.96 0.00 0.00 71 R 8.56 4.44 0.00 1.82 1.93 0.00 3.27 0.00 0.00 3.32 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.52 0.00 72 G 8.06 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 73 L 7.37 4.21 0.00 1.75 1.59 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00