#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x3q n SER 2 N 0.00 -0.18 -4.72 1.61 3.41 -1.26 -5.13 113.62 107.36 1x3q n SER 2 Ca 0.00 0.24 -0.42 0.00 -0.26 0.00 0.00 58.87 58.43 1x3q n SER 2 Cb 0.00 0.39 -0.03 0.00 -0.26 0.00 0.00 64.21 64.31 1x3q n SER 2 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1x3q s GLN 3 N -2.00 4.44 0.00 4.33 -1.52 -1.26 -4.75 119.66 118.90 1x3q s GLN 3 Ca 0.00 1.79 0.00 0.00 -1.95 0.00 0.00 55.36 55.20 1x3q s GLN 3 Cb 0.00 -3.33 0.00 0.00 -0.22 0.00 0.00 33.01 29.46 1x3q s GLN 3 CO 0.00 -0.22 0.00 0.28 -0.25 0.00 0.00 175.29 175.10 1x3q n VAL 4 N 3.69 0.00 -1.72 1.09 0.31 -1.26 -4.94 118.33 115.50 1x3q n VAL 4 Ca 0.08 0.00 -0.37 0.00 -0.01 0.00 0.00 64.34 64.04 1x3q n VAL 4 Cb 0.46 -0.12 0.07 0.00 -0.91 0.00 0.00 33.84 33.34 1x3q n VAL 4 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 1x3q s PHE 5 N 0.05 2.06 0.51 3.52 5.36 -1.26 -4.82 117.98 123.40 1x3q s PHE 5 Ca 0.00 1.49 0.32 0.00 -0.96 0.00 0.00 56.93 57.78 1x3q s PHE 5 Cb 0.00 -3.69 1.44 0.00 -0.34 0.00 0.00 43.02 40.43 1x3q s PHE 5 CO 0.00 -2.93 1.82 1.05 -1.46 0.00 0.00 175.22 173.70 1x3q h GLU 6 N 0.49 0.08 -4.30 10.12 4.11 -2.04 -3.45 114.58 119.59 1x3q h GLU 6 Ca -0.51 -0.00 -0.24 0.00 0.07 0.00 0.00 59.36 58.68 1x3q h GLU 6 Cb 1.34 -0.02 0.10 0.00 0.50 0.00 0.00 28.75 30.67 1x3q h GLU 6 CO 0.53 0.05 -0.48 0.66 0.07 0.00 0.00 179.01 179.84 1x3q n TYR 7 N -4.29 -1.64 -2.82 2.06 4.01 -1.26 -4.96 117.16 108.25 1x3q n TYR 7 Ca 0.24 0.64 -0.27 0.00 -0.16 0.00 0.00 57.90 58.35 1x3q n TYR 7 Cb 1.10 -3.87 -0.03 0.00 -0.31 0.00 0.00 39.34 36.23 1x3q n TYR 7 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1x3q n ALA 8 N -3.53 4.71 0.09 -0.72 0.00 -1.26 -4.74 120.51 115.06 1x3q n ALA 8 Ca -0.10 -4.56 -0.19 0.00 0.00 0.00 0.00 53.44 48.58 1x3q n ALA 8 Cb 0.58 -0.69 -0.15 0.00 0.00 0.00 0.00 19.45 19.20 1x3q n ALA 8 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1x3q h GLU 9 N 2.88 0.32 -6.47 0.00 4.11 -1.89 -3.48 114.58 110.04 1x3q h GLU 9 Ca 0.17 -0.55 -0.50 0.00 0.07 0.00 0.00 59.36 58.56 1x3q h GLU 9 Cb 0.63 0.20 -0.09 0.00 0.50 0.00 0.00 28.75 30.00 1x3q h GLU 9 CO 0.82 1.22 -0.83 1.55 0.07 0.00 0.00 179.01 181.84 1x3q n VAL 10 N -3.53 -2.28 0.00 -1.06 3.14 -1.24 -3.85 118.33 109.51 1x3q n VAL 10 Ca -0.16 -0.20 0.00 0.00 -2.96 0.00 0.00 64.34 61.02 1x3q n VAL 10 Cb 1.05 -2.53 0.00 0.00 -1.06 0.00 0.00 33.84 31.30 1x3q n VAL 10 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1x3q n ASP 11 N -2.85 0.00 -3.42 6.55 2.03 -1.26 -4.17 116.55 113.44 1x3q n ASP 11 Ca -0.09 0.00 -0.37 0.00 0.52 0.00 0.00 54.79 54.86 1x3q n ASP 11 Cb 0.58 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.98 1x3q n ASP 11 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1x3q n GLU 12 N 0.00 4.77 -0.84 -0.67 2.13 -1.25 -4.88 120.64 119.90 1x3q n GLU 12 Ca 0.00 -4.72 0.00 0.00 0.66 0.00 0.00 57.16 53.10 1x3q n GLU 12 Cb 0.00 -2.40 0.00 0.00 0.27 0.00 0.00 31.44 29.31 1x3q n GLU 12 CO 0.00 0.00 0.00 0.44 -0.41 0.00 0.00 177.13 177.16 1x3q n ILE 13 N -0.12 0.00 -0.10 6.31 -6.64 -1.26 -4.85 119.36 112.69 1x3q n ILE 13 Ca 0.42 0.00 -0.12 0.00 -1.77 0.00 0.00 62.75 61.28 1x3q n ILE 13 Cb 0.30 -0.30 -0.12 0.00 -1.44 0.00 0.00 39.64 38.08 1x3q n ILE 13 CO 0.00 0.00 0.00 0.52 -1.77 0.00 0.00 176.55 175.30 1x3q n VAL 14 N 1.08 1.23 -3.16 7.28 0.31 -1.26 -4.83 118.33 118.98 1x3q n VAL 14 Ca 0.00 -0.60 0.00 0.00 -0.01 0.00 0.00 64.34 63.73 1x3q n VAL 14 Cb 0.00 -0.94 0.00 0.00 -0.91 0.00 0.00 33.84 31.99 1x3q n VAL 14 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1x3q n GLU 15 N -2.91 2.69 -3.43 5.55 2.13 -1.26 -4.87 120.64 118.53 1x3q n GLU 15 Ca -0.34 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.48 1x3q n GLU 15 Cb 0.99 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.70 1x3q n GLU 15 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 1x3q n LYS 16 N 0.00 -1.74 -0.44 5.31 -0.00 -1.26 -3.95 118.16 116.08 1x3q n LYS 16 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1x3q n LYS 16 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 1x3q n LYS 16 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1x3q n ARG 17 N -0.07 -1.24 0.00 -1.58 0.00 -1.20 -4.96 116.66 107.61 1x3q n ARG 17 Ca 0.00 0.90 0.00 0.00 -0.00 0.00 0.00 57.85 58.75 1x3q n ARG 17 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 32.46 31.46 1x3q n ARG 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1x3q n GLY 18 N -0.43 3.76 3.42 5.14 0.00 -1.26 -4.74 105.19 111.08 1x3q n GLY 18 Ca 0.00 -0.30 -0.37 0.00 0.00 0.00 0.00 46.02 45.35 1x3q n GLY 18 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1x3q n LYS 19 N 0.00 0.32 -0.34 1.61 4.81 0.70 -4.84 118.16 120.42 1x3q n LYS 19 Ca 0.00 0.14 0.15 0.00 -0.87 0.00 0.00 58.31 57.73 1x3q n LYS 19 Cb 0.00 -1.67 0.37 0.00 0.02 0.00 0.00 35.03 33.75 1x3q n LYS 19 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1x3q h GLY 20 N -0.18 1.62 -4.40 3.14 0.00 -2.04 -2.14 103.07 99.09 1x3q h GLY 20 Ca -0.45 -0.32 -0.56 0.00 0.00 0.00 0.00 47.33 46.00 1x3q h GLY 20 CO 0.43 -0.07 -0.79 1.17 0.00 0.00 0.00 176.54 177.28 1x3q n LYS 21 N -4.72 3.30 0.00 4.80 0.00 -1.26 -4.95 118.16 115.33 1x3q n LYS 21 Ca 0.23 -4.34 0.00 0.00 0.00 0.00 0.00 58.31 54.20 1x3q n LYS 21 Cb 0.62 -2.18 0.00 0.00 0.00 0.00 0.00 35.03 33.47 1x3q n LYS 21 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1x3q n ASP 22 N -0.51 0.00 -4.72 3.14 2.03 -0.80 -5.18 116.55 110.51 1x3q n ASP 22 Ca 0.38 0.00 -0.24 0.00 0.52 0.00 0.00 54.79 55.44 1x3q n ASP 22 Cb 0.74 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 41.07 1x3q n ASP 22 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1x3q s VAL 23 N 0.00 2.46 -0.17 5.18 1.01 -1.26 -0.22 120.40 127.41 1x3q s VAL 23 Ca 0.00 -1.74 -0.30 0.00 0.00 0.00 0.00 61.98 59.94 1x3q s VAL 23 Cb 0.00 -2.97 0.13 0.00 0.00 0.00 0.00 36.38 33.55 1x3q s VAL 23 CO 0.00 -0.06 1.05 -1.83 0.00 0.00 0.00 175.10 174.26 1x3q s GLU 24 N -3.87 0.52 -0.18 2.72 -1.05 -1.26 -2.09 118.70 113.50 1x3q s GLU 24 Ca 0.40 0.07 -0.04 0.00 -0.15 0.00 0.00 54.97 55.25 1x3q s GLU 24 Cb 0.02 0.25 0.06 0.00 -0.44 0.00 0.00 34.13 34.02 1x3q s GLU 24 CO 0.22 -0.17 0.07 0.71 0.95 0.00 0.00 175.26 177.04 1x3q s TYR 25 N -1.34 0.45 0.00 4.83 1.51 -0.61 -3.24 117.35 118.95 1x3q s TYR 25 Ca 0.01 -0.49 0.00 0.00 -1.01 0.00 0.00 57.07 55.58 1x3q s TYR 25 Cb -0.01 -0.80 0.00 0.00 -0.11 0.00 0.00 41.96 41.04 1x3q s TYR 25 CO -0.01 -0.55 0.00 1.47 -1.11 0.00 0.00 175.55 175.35 1x3q n LEU 26 N 5.21 0.00 -2.23 -1.29 -0.00 -1.25 -4.68 117.00 112.76 1x3q n LEU 26 Ca -0.08 0.00 -0.09 0.00 -0.00 0.00 0.00 56.01 55.85 1x3q n LEU 26 Cb 0.48 0.00 0.05 0.00 -0.00 0.00 0.00 43.42 43.95 1x3q n LEU 26 CO 0.11 0.00 0.10 0.52 -0.00 0.00 0.00 177.39 178.12 1x3q n VAL 27 N 0.00 1.74 0.02 1.47 0.31 -1.26 -1.44 118.33 119.17 1x3q n VAL 27 Ca 0.00 -3.30 0.00 0.00 -0.01 0.00 0.00 64.34 61.03 1x3q n VAL 27 Cb 0.00 0.18 0.00 0.00 -0.91 0.00 0.00 33.84 33.11 1x3q n VAL 27 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 1x3q n ARG 28 N -0.59 0.00 0.00 5.55 -4.01 -1.26 -4.24 116.66 112.11 1x3q n ARG 28 Ca 0.23 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 57.04 1x3q n ARG 28 Cb 0.89 -0.44 0.00 0.00 -3.04 0.00 0.00 32.46 29.86 1x3q n ARG 28 CO 0.00 0.00 0.00 -2.67 -3.04 0.00 0.00 177.63 171.92 1x3q n TRP 29 N -3.13 0.00 0.00 2.89 -0.00 -1.26 -3.60 117.44 112.34 1x3q n TRP 29 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.50 1x3q n TRP 29 Cb 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.61 1x3q n TRP 29 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 177.69 179.32 1x3q n LYS 30 N -0.36 0.00 0.00 -2.67 4.76 -1.26 -4.72 118.16 113.91 1x3q n LYS 30 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1x3q n LYS 30 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 1x3q n LYS 30 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1x3q n ASP 31 N 0.00 0.00 0.00 4.39 5.75 -1.26 -4.74 116.55 120.70 1x3q n ASP 31 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1x3q n ASP 31 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1x3q n ASP 31 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1x3q n GLY 32 N 0.00 1.68 0.12 6.12 0.00 -1.26 -4.29 105.19 107.56 1x3q n GLY 32 Ca 0.00 -0.10 -0.22 0.00 0.00 0.00 0.00 46.02 45.70 1x3q n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x3q n GLY 33 N 0.00 -0.73 3.19 -0.02 0.00 -1.26 -4.99 105.19 101.38 1x3q n GLY 33 Ca 0.00 -0.02 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 1x3q n GLY 33 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1x3q s ASP 34 N -6.95 1.32 0.20 1.61 2.15 -1.26 -5.15 116.67 108.59 1x3q s ASP 34 Ca -0.28 -0.98 -0.25 0.00 0.43 0.00 0.00 52.55 51.48 1x3q s ASP 34 Cb 0.07 0.06 -0.08 0.00 -0.30 0.00 0.00 42.92 42.66 1x3q s ASP 34 CO 0.64 -0.41 0.79 0.00 -0.17 0.00 0.00 175.17 176.02 1x3q n GLU 36 N 1.31 0.00 -1.78 0.00 0.28 -1.26 -5.01 120.64 114.18 1x3q n GLU 36 Ca -0.04 -0.55 -0.42 0.00 -0.16 0.00 0.00 57.16 55.99 1x3q n GLU 36 Cb 0.49 -0.42 -0.03 0.00 1.43 0.00 0.00 31.44 32.91 1x3q n GLU 36 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 177.13 178.64 1x3q s TRP 37 N 0.00 1.63 0.08 -1.84 -2.14 -0.52 -4.94 118.94 111.21 1x3q s TRP 37 Ca 0.00 -0.20 0.06 0.00 2.66 0.00 0.00 56.10 58.63 1x3q s TRP 37 Cb 0.00 -4.14 -0.03 0.00 -3.10 0.00 0.00 33.47 26.20 1x3q s TRP 37 CO 0.00 -4.95 -0.17 0.14 -2.66 0.00 0.00 176.95 169.31 1x3q s VAL 38 N 4.04 1.39 0.40 -0.66 -7.23 -1.26 -4.81 120.40 112.26 1x3q s VAL 38 Ca 0.83 -1.39 0.00 0.00 -1.81 0.00 0.00 61.98 59.60 1x3q s VAL 38 Cb -0.40 -1.29 0.00 0.00 0.56 0.00 0.00 36.38 35.25 1x3q s VAL 38 CO 0.37 -0.13 0.00 0.29 -0.31 0.00 0.00 175.10 175.32 1x3q n LYS 39 N 1.23 -3.00 0.00 4.82 4.76 -1.26 -4.28 118.16 120.44 1x3q n LYS 39 Ca -0.20 2.29 0.00 0.00 -2.87 0.00 0.00 58.31 57.53 1x3q n LYS 39 Cb 0.54 -2.93 0.00 0.00 -1.84 0.00 0.00 35.03 30.80 1x3q n LYS 39 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1x3q n GLY 40 N -1.91 0.00 0.34 0.72 0.00 -0.89 -1.58 105.19 101.87 1x3q n GLY 40 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 1x3q n GLY 40 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1x3q h VAL 41 N 0.00 0.75 0.04 1.61 3.04 -1.88 1.71 116.25 121.53 1x3q h VAL 41 Ca 0.00 -0.26 -0.23 0.00 -1.01 0.00 0.00 66.70 65.20 1x3q h VAL 41 Cb 0.35 -0.08 -0.01 0.00 -2.01 0.00 0.00 31.29 29.54 1x3q h VAL 41 CO 0.00 0.14 -1.02 -0.74 -1.01 0.00 0.00 177.57 174.94 1x3q h HIS 42 N 0.77 0.35 -1.30 3.17 6.17 -1.95 -3.28 115.15 119.07 1x3q h HIS 42 Ca 0.53 -0.22 -0.70 0.00 0.71 0.00 0.00 60.37 60.68 1x3q h HIS 42 Cb 0.74 -0.03 -0.29 0.00 2.52 0.00 0.00 27.41 30.35 1x3q h HIS 42 CO -0.03 1.10 0.87 0.28 0.71 0.00 0.00 177.93 180.85 1x3q n VAL 43 N -3.58 3.58 -3.13 5.26 0.31 0.24 -4.90 118.33 116.10 1x3q n VAL 43 Ca -0.05 -3.41 -0.06 0.00 -0.01 0.00 0.00 64.34 60.81 1x3q n VAL 43 Cb 0.90 -1.19 0.00 0.00 -0.91 0.00 0.00 33.84 32.65 1x3q n VAL 43 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1x3q n ALA 44 N -0.79 -2.64 0.47 3.52 0.00 0.30 -4.54 120.51 116.83 1x3q n ALA 44 Ca 0.59 0.22 -0.18 0.00 0.00 0.00 0.00 53.44 54.07 1x3q n ALA 44 Cb 0.54 -1.90 -0.09 0.00 0.00 0.00 0.00 19.45 18.01 1x3q n ALA 44 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1x3q h GLU 45 N 0.74 -1.16 -0.92 0.00 4.81 0.19 -2.48 114.58 115.77 1x3q h GLU 45 Ca -0.10 0.08 -0.05 0.00 -0.13 0.00 0.00 59.36 59.16 1x3q h GLU 45 Cb 1.07 0.26 -0.03 0.00 0.63 0.00 0.00 28.75 30.68 1x3q h GLU 45 CO 0.29 -0.77 0.07 -0.25 -0.73 0.00 0.00 179.01 177.61 1x3q n ASP 46 N -5.37 2.65 -0.02 1.04 9.92 -1.26 -3.33 116.55 120.18 1x3q n ASP 46 Ca -0.15 -2.33 -0.02 0.00 -0.53 0.00 0.00 54.79 51.76 1x3q n ASP 46 Cb 0.47 -0.57 -0.02 0.00 -0.64 0.00 0.00 41.12 40.37 1x3q n ASP 46 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1x3q n VAL 47 N 0.13 0.21 0.00 2.53 0.31 -1.14 -4.74 118.33 115.64 1x3q n VAL 47 Ca 0.11 -0.09 -0.10 0.00 -0.01 0.00 0.00 64.34 64.25 1x3q n VAL 47 Cb 0.63 -0.68 -0.14 0.00 -0.91 0.00 0.00 33.84 32.75 1x3q n VAL 47 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1x3q h ALA 48 N 0.02 0.64 0.09 3.52 0.00 -1.53 -3.37 119.26 118.63 1x3q h ALA 48 Ca -0.08 -1.34 -0.00 0.00 0.00 0.00 0.00 54.91 53.49 1x3q h ALA 48 Cb 1.14 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 19.30 1x3q h ALA 48 CO -0.01 1.48 -0.10 -0.22 0.00 0.00 0.00 179.25 180.40 1x3q h LYS 49 N 0.01 -0.18 -1.41 0.00 3.64 -1.79 0.11 116.57 116.94 1x3q h LYS 49 Ca -0.25 0.01 0.41 0.00 -1.27 0.00 0.00 60.65 59.56 1x3q h LYS 49 Cb 1.97 0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 33.76 1x3q h LYS 49 CO 0.10 -0.12 1.00 -0.44 -2.27 0.00 0.00 179.45 177.71 1x3q h ASP 50 N -0.19 0.08 0.03 4.20 5.19 -1.85 1.70 116.42 125.58 1x3q h ASP 50 Ca -0.01 0.03 -0.00 0.00 -0.62 0.00 0.00 57.03 56.42 1x3q h ASP 50 Cb 0.17 0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.70 1x3q h ASP 50 CO -0.02 -0.02 -0.02 0.22 -3.12 0.00 0.00 179.24 176.29 1x3q h TYR 51 N 0.05 -0.04 0.00 4.55 3.20 -1.55 -3.32 116.97 119.86 1x3q h TYR 51 Ca 0.71 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.54 1x3q h TYR 51 Cb 2.66 0.01 -0.00 0.00 1.54 0.00 0.00 36.73 40.93 1x3q h TYR 51 CO -0.00 0.60 -0.26 0.93 -1.64 0.00 0.00 178.16 177.79 1x3q h GLU 52 N -0.76 0.00 -1.37 1.82 3.07 0.18 -3.03 114.58 114.49 1x3q h GLU 52 Ca -0.00 0.00 0.42 0.00 -0.50 0.00 0.00 59.36 59.27 1x3q h GLU 52 Cb 0.66 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 28.50 1x3q h GLU 52 CO 0.01 0.44 0.96 -0.40 -1.40 0.00 0.00 179.01 178.62 1x3q n ASP 53 N -4.65 0.05 -0.08 1.42 5.75 0.55 0.73 116.55 120.32 1x3q n ASP 53 Ca -0.09 0.84 -0.21 0.00 -0.01 0.00 0.00 54.79 55.33 1x3q n ASP 53 Cb 0.28 -0.42 -0.12 0.00 -1.03 0.00 0.00 41.12 39.83 1x3q n ASP 53 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1x3q n GLY 54 N -1.61 -0.49 0.00 6.12 0.00 -1.25 -3.92 105.19 104.05 1x3q n GLY 54 Ca 0.33 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1x3q n GLY 54 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x3q n LEU 55 N -3.57 0.39 -3.21 0.99 4.77 0.22 -3.97 117.00 112.63 1x3q n LEU 55 Ca -0.41 0.64 -0.37 0.00 -0.03 0.00 0.00 56.01 55.84 1x3q n LEU 55 Cb 0.97 -0.30 -0.01 0.00 -2.33 0.00 0.00 43.42 41.75 1x3q n LEU 55 CO 0.29 -0.30 1.92 1.21 -1.33 0.00 0.00 177.39 179.18 1x3q n GLU 56 N -1.41 4.05 0.00 3.23 0.00 -0.21 -4.50 120.64 121.79 1x3q n GLU 56 Ca 0.00 -3.43 0.00 0.00 0.00 0.00 0.00 57.16 53.73 1x3q n GLU 56 Cb 0.00 -2.44 0.00 0.00 0.00 0.00 0.00 31.44 29.00 1x3q n GLU 56 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.13 178.11