NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3788 8.3001 120.3516 55.2726 33.4193 174.3626 2 A 4.6353 8.3145 127.1975 50.0020 21.5426 174.1414 3 S 4.7813 8.2009 117.7615 56.4484 68.7483 171.0709 4 P 4.6923 0.0000 0.0000 63.2447 32.5115 175.1583 5 T 5.0055 8.8739 121.9647 61.4218 71.9549 173.3944 6 V 4.5786 8.8508 127.4907 60.4065 33.3428 175.0888 7 I 4.2912 8.5461 128.1095 60.2045 38.5969 174.9622 8 T 4.7213 8.4823 124.9466 62.1296 70.3712 175.2831 9 L 4.6946 8.6943 127.4199 53.7147 43.3835 177.2723 10 N 4.3266 9.0442 119.5400 57.2066 38.4299 176.0801 11 D 4.4001 8.1554 116.3953 54.7575 39.9224 176.3672 12 G 3.7839 7.6939 105.7382 44.8586 0.0000 173.7099 13 R 3.9278 8.3458 121.9751 56.9654 30.9720 174.8785 14 E 5.1367 8.7677 126.1864 54.7532 31.6042 175.4952 15 I 4.6110 8.6178 124.9048 59.5756 40.7064 174.3676 16 Q 4.9679 8.7613 125.1444 54.5480 30.6832 174.4838 17 A 5.0293 9.0996 126.1972 50.5913 21.7083 177.7583 18 V 4.0674 8.7143 113.1125 62.9694 33.0095 175.4200 19 D 5.5123 7.7983 118.3431 51.6171 42.9507 175.0068 20 T 4.2090 8.4449 109.0029 60.7007 69.5941 172.7022 21 P 4.9419 0.0000 0.0000 62.7272 33.0493 175.0615 22 K 4.6110 9.2639 122.6833 54.7768 34.6410 174.2625 23 Y 4.2889 8.7224 129.3663 57.1113 39.4601 174.1638 24 D 4.3929 8.5129 128.7627 52.4562 41.5572 176.6002 25 E 3.5116 8.3733 128.0933 58.9752 30.0873 178.1548 26 E 4.0110 8.0500 117.4326 59.3336 29.5906 178.0688 27 S 4.2674 8.4195 112.4793 58.4140 63.9860 175.7474 28 G 3.5936 8.3827 108.9441 45.1589 0.0000 172.8063 29 F 5.4931 7.4220 117.8985 56.2025 42.3126 173.9683 30 Y 5.0855 9.5053 118.5502 56.8689 39.8861 174.8217 31 E 5.1469 9.6416 125.3899 54.9213 31.4183 175.2562 32 F 5.2390 8.6312 119.3410 54.9733 42.2120 173.7587 33 K 4.7114 8.7121 122.7139 55.0264 33.2524 176.1452 34 Q 4.7365 8.9489 127.7054 55.5451 29.3900 177.7101 35 L 4.1084 7.9795 119.2127 58.3064 41.6007 179.0234 36 D 4.3808 7.9878 116.3257 55.5436 40.9799 177.1773 37 G 3.8959 8.5557 107.7878 45.0283 0.0000 172.8426 38 K 4.4328 7.6560 119.4524 54.6363 33.8763 175.5129 39 Q 4.4880 8.5837 127.0803 56.1506 29.8547 174.6853 40 T 4.6072 8.4220 120.0400 60.2755 71.7063 172.3806 41 R 5.7204 8.0376 122.0678 53.4110 33.8165 174.6292 42 I 4.8229 8.5498 122.3374 58.7818 42.2923 173.7945 43 N 5.1001 9.1860 125.7949 53.5332 39.5352 175.8776 44 K 4.5215 8.7162 123.8988 59.7686 32.6933 177.6887 45 D 4.6169 8.0642 117.3129 54.7730 40.2251 177.3596 46 Q 4.1043 8.2625 119.3205 57.5033 29.0660 175.8625 47 V 4.0614 7.5325 118.0308 60.8733 31.6460 175.5856 48 R 4.2213 8.5911 127.3304 58.2720 30.0946 176.1357 49 T 4.5762 7.5422 107.8933 59.6755 72.4733 172.1207 50 V 4.4225 8.3976 124.5253 61.2455 32.9105 174.5539 51 K 4.7409 8.3887 127.0528 54.5893 36.5148 176.1698 52 D 5.0592 8.7379 122.3928 53.8132 41.8610 176.6775 53 L 4.2197 8.8493 119.5410 56.1368 41.8326 177.8141 54 L 4.5761 7.5835 118.0194 54.4286 41.8696 176.3093 55 E 4.1255 8.2141 124.2702 56.9639 29.3474 176.9524 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 8.30 4.38 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.62 0.00 2 A 8.31 4.64 1.25 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 0.00 0.00 0.00 3 S 8.20 4.78 0.00 3.75 3.73 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 4 P 0.00 4.69 0.00 2.12 2.21 0.00 3.64 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 2.07 2.00 0.00 5 T 8.87 5.01 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 1.18 0.00 0.00 6 V 8.85 4.58 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 0.96 0.00 0.00 0.89 0.00 0.00 7 I 8.55 4.29 1.31 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.35 0.54 0.00 0.00 8 T 8.48 4.72 4.17 0.00 0.00 0.00 0.00 0.00 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 9 L 8.69 4.69 0.00 1.69 1.68 0.96 0.28 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 10 N 9.04 4.33 0.00 2.69 2.86 0.00 0.00 7.24 8.13 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 11 D 8.16 4.40 0.00 2.83 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.69 3.78 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 0.00 0.00 0.00 13 R 8.35 3.93 0.00 2.07 1.94 0.00 3.09 0.00 0.00 3.20 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 14 E 8.77 5.14 0.00 1.86 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 2.19 2.50 0.00 15 I 8.62 4.61 1.94 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.87 1.17 0.00 0.00 16 Q 8.76 4.97 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.85 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 17 A 9.10 5.03 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.71 4.07 2.10 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 0.79 0.00 0.00 1.02 0.00 0.00 19 D 7.80 5.51 0.00 2.63 2.63 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 20 T 8.44 4.21 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 1.24 0.00 0.00 21 P 0.00 4.94 0.00 2.39 2.27 0.00 3.77 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 2.11 1.98 0.00 22 K 9.26 4.61 0.00 1.84 1.75 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.73 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.36 7.81 23 Y 8.72 4.29 0.00 2.42 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 24 D 8.51 4.39 0.00 2.90 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 25 E 8.37 3.51 0.00 1.72 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 2.18 2.24 0.00 26 E 8.05 4.01 0.00 2.13 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 2.23 2.23 0.00 27 S 8.42 4.27 0.00 4.08 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 28 G 8.38 3.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 F 7.42 5.49 0.00 3.02 3.07 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 30 Y 9.51 5.09 0.00 3.14 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 31 E 9.64 5.15 0.00 1.95 1.90 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 2.31 2.31 0.00 32 F 8.63 5.24 0.00 3.09 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 33 K 8.71 4.71 0.00 1.88 1.91 0.00 1.88 0.00 0.00 1.82 0.00 0.00 2.84 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.45 7.81 34 Q 8.95 4.74 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.36 6.45 0.00 0.00 0.00 0.00 0.00 2.48 2.35 0.00 35 L 7.98 4.11 0.00 1.63 1.77 0.94 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 36 D 7.99 4.38 0.00 2.64 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 37 G 8.56 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 0.00 0.00 0.00 38 K 7.66 4.43 0.00 1.67 1.69 0.00 1.64 0.00 0.00 1.72 0.00 0.00 2.78 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.40 7.81 39 Q 8.58 4.49 0.00 2.02 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.80 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00 40 T 8.42 4.61 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 41 R 8.04 5.72 0.00 1.31 1.58 0.00 3.25 0.00 0.00 3.94 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.30 0.00 42 I 8.55 4.82 2.08 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.43 1.23 0.00 0.00 43 N 9.19 5.10 0.00 3.17 2.96 0.00 0.00 7.03 6.39 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 44 K 8.72 4.52 0.00 2.19 2.41 0.00 1.80 0.00 0.00 1.91 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.58 1.50 7.81 45 D 8.06 4.62 0.00 2.83 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 46 Q 8.26 4.10 0.00 2.30 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 7.03 0.00 0.00 0.00 0.00 0.00 2.48 2.53 0.00 47 V 7.53 4.06 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 0.40 0.00 0.00 0.56 0.00 0.00 48 R 8.59 4.22 0.00 1.80 2.07 0.00 3.17 0.00 0.00 3.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 49 T 7.54 4.58 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 1.16 0.00 0.00 50 V 8.40 4.42 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 0.72 0.00 0.00 0.68 0.00 0.00 51 K 8.39 4.74 0.00 1.60 1.59 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.34 7.81 52 D 8.74 5.06 0.00 2.68 2.59 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 0.00 0.00 0.00 0.00 53 L 8.85 4.22 0.00 1.61 1.71 0.92 0.81 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 54 L 7.58 4.58 0.00 1.62 1.66 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.21 4.13 0.00 1.94 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 2.57 2.25 0.00