#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x3q h SER 2 N 0.00 0.59 -3.98 1.61 0.02 -1.72 -3.50 113.55 106.57 1x3q h SER 2 Ca 0.00 -0.23 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 1x3q h SER 2 Cb 0.00 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.39 1x3q h SER 2 CO 0.00 0.66 -0.90 0.00 -1.14 0.00 0.00 176.83 175.45 1x3q n GLN 3 N -4.58 -4.20 0.00 3.45 6.02 -1.26 -4.91 117.38 111.90 1x3q n GLN 3 Ca -0.01 3.19 0.00 0.00 -0.01 0.00 0.00 57.00 60.17 1x3q n GLN 3 Cb 0.20 -3.75 0.00 0.00 1.02 0.00 0.00 30.24 27.71 1x3q n GLN 3 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1x3q n VAL 4 N -1.63 0.00 -0.50 5.09 0.31 -1.26 -4.66 118.33 115.67 1x3q n VAL 4 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1x3q n VAL 4 Cb 0.20 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.13 1x3q n VAL 4 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 1x3q n PHE 5 N -1.43 0.00 0.10 3.52 7.35 -1.26 -4.99 117.46 120.75 1x3q n PHE 5 Ca 0.00 0.00 -0.19 0.00 -0.76 0.00 0.00 57.45 56.50 1x3q n PHE 5 Cb 0.00 0.00 -0.15 0.00 0.35 0.00 0.00 39.48 39.68 1x3q n PHE 5 CO 0.00 0.00 0.00 1.05 -0.76 0.00 0.00 176.76 177.05 1x3q h GLU 6 N 0.00 0.35 -6.06 -4.13 4.11 -2.02 -3.48 114.58 103.34 1x3q h GLU 6 Ca 0.00 -0.59 -0.42 0.00 0.07 0.00 0.00 59.36 58.41 1x3q h GLU 6 Cb 0.00 0.22 0.05 0.00 0.50 0.00 0.00 28.75 29.53 1x3q h GLU 6 CO 0.00 1.25 -0.77 0.66 0.07 0.00 0.00 179.01 180.23 1x3q n TYR 7 N -3.56 -2.28 -2.14 2.06 4.01 -1.26 -4.90 117.16 109.09 1x3q n TYR 7 Ca -0.15 0.91 -0.22 0.00 -0.16 0.00 0.00 57.90 58.28 1x3q n TYR 7 Cb 1.06 -4.47 0.02 0.00 -0.31 0.00 0.00 39.34 35.64 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 -4.54 4.78 -0.24 -0.72 0.00 -1.26 -4.82 120.51 113.70 1x3q n ALA 8 Ca -0.12 -3.73 0.04 0.00 0.00 0.00 0.00 53.44 49.63 1x3q n ALA 8 Cb 0.60 -0.40 0.17 0.00 0.00 0.00 0.00 19.45 19.82 1x3q n ALA 8 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1x3q h GLU 9 N 2.26 0.39 -6.01 0.00 4.39 -1.86 -3.44 114.58 110.32 1x3q h GLU 9 Ca 0.31 -0.02 -0.33 0.00 0.34 0.00 0.00 59.36 59.66 1x3q h GLU 9 Cb 1.46 -0.09 -0.18 0.00 -0.10 0.00 0.00 28.75 29.84 1x3q h GLU 9 CO 0.71 0.26 -0.47 1.55 -1.16 0.00 0.00 179.01 179.90 1x3q n VAL 10 N -5.03 -0.13 0.00 3.13 3.14 -1.18 -3.05 118.33 115.21 1x3q n VAL 10 Ca 0.13 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.51 1x3q n VAL 10 Cb 0.39 -0.47 0.00 0.00 -1.06 0.00 0.00 33.84 32.70 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 -2.02 0.00 -3.72 6.55 2.03 -1.26 -4.46 116.55 113.67 1x3q n ASP 11 Ca 0.05 0.00 -0.28 0.00 0.52 0.00 0.00 54.79 55.08 1x3q n ASP 11 Cb 0.48 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.78 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 1.95 -0.17 -0.67 2.13 -1.17 -4.85 120.64 117.86 1x3q n GLU 12 Ca 0.00 -4.46 0.00 0.00 0.66 0.00 0.00 57.16 53.36 1x3q n GLU 12 Cb 0.00 -2.23 0.00 0.00 0.27 0.00 0.00 31.44 29.48 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 1.65 0.00 -0.02 6.31 -0.00 -1.26 -4.67 119.36 121.37 1x3q n ILE 13 Ca 0.23 0.00 0.01 0.00 -0.00 0.00 0.00 62.75 63.00 1x3q n ILE 13 Cb 0.38 -0.03 -0.08 0.00 -0.00 0.00 0.00 39.64 39.91 1x3q n ILE 13 CO 0.00 0.00 0.00 0.52 -0.00 0.00 0.00 176.55 177.07 1x3q n VAL 14 N 0.39 0.26 -4.43 7.28 0.31 -1.25 -4.79 118.33 116.09 1x3q n VAL 14 Ca 0.00 -0.30 -0.23 0.00 -0.01 0.00 0.00 64.34 63.81 1x3q n VAL 14 Cb 0.00 -0.14 -0.09 0.00 -0.91 0.00 0.00 33.84 32.70 1x3q n VAL 14 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1x3q s GLU 15 N -2.51 1.78 0.00 5.55 2.12 -1.26 -4.86 118.70 119.52 1x3q s GLU 15 Ca -0.04 -2.05 0.00 0.00 0.36 0.00 0.00 54.97 53.24 1x3q s GLU 15 Cb 0.05 -0.41 0.00 0.00 0.26 0.00 0.00 34.13 34.03 1x3q s GLU 15 CO 0.41 -0.45 0.00 0.36 -0.54 0.00 0.00 175.26 175.04 1x3q n LYS 16 N -0.76 -0.77 -0.35 4.30 -0.00 -1.26 -3.44 118.16 115.89 1x3q n LYS 16 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.29 1x3q n LYS 16 Cb 0.65 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.68 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 0.00 -0.97 0.00 -1.58 0.63 -1.24 -4.95 116.66 108.55 1x3q n ARG 17 Ca 0.00 0.70 0.00 0.00 -0.92 0.00 0.00 57.85 57.63 1x3q n ARG 17 Cb 0.00 -0.78 0.00 0.00 0.45 0.00 0.00 32.46 32.13 1x3q n ARG 17 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1x3q n GLY 18 N -0.37 1.89 3.24 5.14 0.00 -1.26 -4.79 105.19 109.05 1x3q n GLY 18 Ca 0.00 -0.26 -0.38 0.00 0.00 0.00 0.00 46.02 45.38 1x3q n GLY 18 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1x3q n LYS 19 N 0.00 0.05 -0.14 1.61 5.02 -1.25 -4.70 118.16 118.75 1x3q n LYS 19 Ca 0.00 0.02 0.27 0.00 -2.02 0.00 0.00 58.31 56.58 1x3q n LYS 19 Cb 0.00 -1.09 0.56 0.00 -0.02 0.00 0.00 35.03 34.49 1x3q n LYS 19 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1x3q h GLY 20 N -0.12 0.00 0.00 0.72 0.00 -2.03 -3.06 103.07 98.58 1x3q h GLY 20 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.91 1x3q h GLY 20 CO 0.40 0.00 -0.55 0.58 0.00 0.00 0.00 176.54 176.97 1x3q n LYS 21 N -3.44 0.49 -1.20 4.80 2.85 -1.26 -4.88 118.16 115.52 1x3q n LYS 21 Ca 0.19 0.00 -0.33 0.00 -1.05 0.00 0.00 58.31 57.12 1x3q n LYS 21 Cb 1.26 -0.77 -0.05 0.00 -0.65 0.00 0.00 35.03 34.81 1x3q n LYS 21 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1x3q n ASP 22 N -1.89 7.80 -4.86 -5.58 -0.08 -1.16 -4.90 116.55 105.88 1x3q n ASP 22 Ca 0.00 -2.52 -0.31 0.00 -1.51 0.00 0.00 54.79 50.45 1x3q n ASP 22 Cb 0.27 -1.48 -0.04 0.00 2.34 0.00 0.00 41.12 42.21 1x3q n ASP 22 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1x3q s VAL 23 N 2.10 4.73 -0.02 5.18 1.01 -1.25 -3.78 120.40 128.37 1x3q s VAL 23 Ca 0.66 0.77 -0.28 0.00 0.00 0.00 0.00 61.98 63.13 1x3q s VAL 23 Cb 0.19 -3.70 0.10 0.00 0.00 0.00 0.00 36.38 32.97 1x3q s VAL 23 CO -0.05 -0.44 0.82 -1.83 0.00 0.00 0.00 175.10 173.60 1x3q s GLU 24 N -3.63 0.90 -0.07 2.72 -1.05 -1.26 -2.06 118.70 114.25 1x3q s GLU 24 Ca 0.53 -0.13 -0.01 0.00 -0.15 0.00 0.00 54.97 55.21 1x3q s GLU 24 Cb -0.10 0.42 0.03 0.00 -0.44 0.00 0.00 34.13 34.03 1x3q s GLU 24 CO 0.27 -0.35 -0.02 0.71 0.95 0.00 0.00 175.26 176.82 1x3q s TYR 25 N -2.42 0.80 0.00 4.83 1.51 0.12 -3.60 117.35 118.59 1x3q s TYR 25 Ca -0.00 -0.26 0.00 0.00 -1.01 0.00 0.00 57.07 55.80 1x3q s TYR 25 Cb -0.01 -0.84 0.00 0.00 -0.11 0.00 0.00 41.96 41.01 1x3q s TYR 25 CO -0.04 -0.33 0.00 1.28 -1.11 0.00 0.00 175.55 175.35 1x3q n LEU 26 N 4.90 0.00 -2.41 -1.29 4.77 -1.22 -4.52 117.00 117.23 1x3q n LEU 26 Ca -0.11 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.66 1x3q n LEU 26 Cb 0.50 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.61 1x3q n LEU 26 CO 0.14 0.00 0.12 0.52 -1.33 0.00 0.00 177.39 176.83 1x3q n VAL 27 N 0.00 2.07 0.00 4.08 0.31 -1.26 -1.17 118.33 122.37 1x3q n VAL 27 Ca 0.00 -4.19 0.00 0.00 -0.01 0.00 0.00 64.34 60.14 1x3q n VAL 27 Cb 0.00 -0.63 0.00 0.00 -0.91 0.00 0.00 33.84 32.30 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 -0.50 0.00 0.00 5.55 -4.01 -1.26 -3.81 116.66 112.63 1x3q n ARG 28 Ca 0.32 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 57.13 1x3q n ARG 28 Cb 0.79 -0.51 0.00 0.00 -3.04 0.00 0.00 32.46 29.70 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 -1.84 0.00 0.00 2.89 -0.00 -1.26 -3.12 117.44 114.11 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 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.41 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 0.00 0.00 -1.49 -2.67 4.76 -1.26 -4.64 118.16 112.85 1x3q n LYS 30 Ca 0.00 0.00 0.02 0.00 -2.87 0.00 0.00 58.31 55.46 1x3q n LYS 30 Cb 0.00 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.18 1x3q n LYS 30 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1x3q n ASP 31 N 0.00 -7.15 0.18 4.39 -0.08 -1.26 -5.05 116.55 107.58 1x3q n ASP 31 Ca 0.00 1.57 0.00 0.00 -1.51 0.00 0.00 54.79 54.85 1x3q n ASP 31 Cb 0.00 -4.60 0.00 0.00 2.34 0.00 0.00 41.12 38.86 1x3q n ASP 31 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1x3q n GLY 32 N -2.70 -1.74 0.11 0.27 0.00 -1.26 -5.00 105.19 94.86 1x3q n GLY 32 Ca -0.01 0.42 -0.22 0.00 0.00 0.00 0.00 46.02 46.21 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 -1.39 -0.82 3.27 -0.02 0.00 -1.26 -5.00 105.19 99.97 1x3q n GLY 33 Ca 0.00 0.10 -0.16 0.00 0.00 0.00 0.00 46.02 45.96 1x3q n GLY 33 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x3q s ASP 34 N -6.90 2.01 0.21 1.61 1.01 -1.26 -5.13 116.67 108.23 1x3q s ASP 34 Ca -0.29 -0.98 -0.30 0.00 0.71 0.00 0.00 52.55 51.69 1x3q s ASP 34 Cb 0.06 -0.05 -0.09 0.00 1.01 0.00 0.00 42.92 43.86 1x3q s ASP 34 CO 0.59 -0.26 1.29 0.00 0.21 0.00 0.00 175.17 177.00 1x3q n GLU 36 N 2.37 1.59 -1.50 0.00 -0.58 -1.26 -5.05 120.64 116.22 1x3q n GLU 36 Ca 0.05 -0.75 -0.47 0.00 -0.42 0.00 0.00 57.16 55.57 1x3q n GLU 36 Cb 0.43 -1.11 -0.03 0.00 -0.57 0.00 0.00 31.44 30.16 1x3q n GLU 36 CO 0.00 0.00 0.00 -2.67 -0.48 0.00 0.00 177.13 173.98 1x3q n TRP 37 N -0.01 0.44 -4.00 -0.32 -0.00 -0.32 -5.00 117.44 108.24 1x3q n TRP 37 Ca 0.05 0.84 -0.10 0.00 -0.00 0.00 0.00 57.50 58.28 1x3q n TRP 37 Cb 0.22 -2.11 -0.11 0.00 -0.00 0.00 0.00 31.31 29.30 1x3q n TRP 37 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 177.69 177.83 1x3q s VAL 38 N -0.89 0.23 0.48 -1.67 -7.23 -1.26 -4.86 120.40 105.19 1x3q s VAL 38 Ca 0.64 -0.88 0.00 0.00 -1.81 0.00 0.00 61.98 59.93 1x3q s VAL 38 Cb -0.85 -0.34 0.00 0.00 0.56 0.00 0.00 36.38 35.75 1x3q s VAL 38 CO 0.57 -0.42 0.00 0.29 -0.31 0.00 0.00 175.10 175.23 1x3q n LYS 39 N 1.69 -3.98 0.08 4.82 4.76 -1.26 -4.22 118.16 120.05 1x3q n LYS 39 Ca -0.23 2.99 0.00 0.00 -2.87 0.00 0.00 58.31 58.20 1x3q n LYS 39 Cb 0.55 -3.54 0.00 0.00 -1.84 0.00 0.00 35.03 30.21 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 -1.29 -0.17 0.32 0.72 0.00 -0.88 0.13 105.19 104.03 1x3q n GLY 40 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.19 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 0.40 0.17 1.61 3.04 -1.89 1.78 116.25 121.36 1x3q h VAL 41 Ca 0.00 -0.13 -0.31 0.00 -1.01 0.00 0.00 66.70 65.25 1x3q h VAL 41 Cb 0.09 0.00 0.01 0.00 -2.01 0.00 0.00 31.29 29.39 1x3q h VAL 41 CO 0.00 0.07 -1.45 0.45 -1.01 0.00 0.00 177.57 175.63 1x3q h HIS 42 N 0.37 0.65 -0.65 3.17 -0.00 -1.93 -3.33 115.15 113.44 1x3q h HIS 42 Ca 0.62 -0.48 -0.41 0.00 -0.00 0.00 0.00 60.37 60.11 1x3q h HIS 42 Cb 1.27 -0.03 -0.17 0.00 -0.00 0.00 0.00 27.41 28.49 1x3q h HIS 42 CO -0.11 1.43 0.50 0.28 -0.00 0.00 0.00 177.93 180.04 1x3q n VAL 43 N -3.57 2.99 -3.21 2.45 0.31 0.26 -4.85 118.33 112.71 1x3q n VAL 43 Ca -0.15 -2.05 -0.07 0.00 -0.01 0.00 0.00 64.34 62.06 1x3q n VAL 43 Cb 1.06 -1.34 0.01 0.00 -0.91 0.00 0.00 33.84 32.67 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 0.19 -2.54 0.24 3.52 0.00 0.20 -4.59 120.51 117.53 1x3q n ALA 44 Ca 0.38 -0.03 -0.09 0.00 0.00 0.00 0.00 53.44 53.70 1x3q n ALA 44 Cb 0.58 -2.17 -0.04 0.00 0.00 0.00 0.00 19.45 17.82 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 0.01 -0.59 -0.96 0.00 4.81 0.21 -2.77 114.58 115.29 1x3q h GLU 45 Ca -0.20 0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.03 1x3q h GLU 45 Cb 1.11 0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.61 1x3q h GLU 45 CO 0.34 -0.40 0.05 -3.47 -0.73 0.00 0.00 179.01 174.80 1x3q n ASP 46 N -3.67 2.41 -0.05 1.04 2.03 -1.26 -2.83 116.55 114.22 1x3q n ASP 46 Ca -0.08 -2.20 -0.06 0.00 0.52 0.00 0.00 54.79 52.97 1x3q n ASP 46 Cb 0.24 -0.54 -0.05 0.00 -0.72 0.00 0.00 41.12 40.05 1x3q n ASP 46 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1x3q n VAL 47 N 0.16 0.58 0.00 5.18 0.31 -1.13 -4.67 118.33 118.76 1x3q n VAL 47 Ca 0.07 -0.26 0.05 0.00 -0.01 0.00 0.00 64.34 64.19 1x3q n VAL 47 Cb 0.54 -0.84 -0.12 0.00 -0.91 0.00 0.00 33.84 32.51 1x3q n VAL 47 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1x3q n ALA 48 N -2.64 2.35 -0.13 3.52 0.00 -1.06 -4.31 120.51 118.24 1x3q n ALA 48 Ca -0.17 -0.63 -0.05 0.00 0.00 0.00 0.00 53.44 52.59 1x3q n ALA 48 Cb 0.72 -0.74 0.03 0.00 0.00 0.00 0.00 19.45 19.46 1x3q n ALA 48 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1x3q h LYS 49 N 0.00 0.34 -0.53 0.00 5.09 -1.76 0.80 116.57 120.51 1x3q h LYS 49 Ca -0.14 -0.02 0.03 0.00 0.09 0.00 0.00 60.65 60.61 1x3q h LYS 49 Cb 1.35 -0.08 -0.03 0.00 0.10 0.00 0.00 32.23 33.57 1x3q h LYS 49 CO 0.01 0.23 0.35 0.22 -2.09 0.00 0.00 179.45 178.17 1x3q h ASP 50 N 0.36 0.53 -0.01 7.07 1.82 -1.84 1.91 116.42 126.26 1x3q h ASP 50 Ca 0.19 -0.01 -0.01 0.00 -0.39 0.00 0.00 57.03 56.82 1x3q h ASP 50 Cb 0.16 -0.12 0.00 0.00 0.68 0.00 0.00 39.33 40.04 1x3q h ASP 50 CO -0.18 0.37 -0.02 0.22 -1.61 0.00 0.00 179.24 178.01 1x3q h TYR 51 N 0.61 0.04 0.00 0.28 3.20 -1.23 -2.68 116.97 117.20 1x3q h TYR 51 Ca 0.21 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.06 1x3q h TYR 51 Cb 0.08 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.34 1x3q h TYR 51 CO -0.00 0.63 -0.10 0.93 -1.64 0.00 0.00 178.16 177.97 1x3q h GLU 52 N -0.55 0.00 -0.36 1.82 5.08 0.12 -2.20 114.58 118.48 1x3q h GLU 52 Ca -0.00 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.46 1x3q h GLU 52 Cb 0.63 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 1x3q h GLU 52 CO 0.01 0.00 0.49 0.22 -1.00 0.00 0.00 179.01 178.72 1x3q h ASP 53 N -0.22 0.00 0.10 1.42 3.58 0.26 0.10 116.42 121.66 1x3q h ASP 53 Ca 0.00 0.00 -0.35 0.00 0.42 0.00 0.00 57.03 57.10 1x3q h ASP 53 Cb 0.10 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.13 1x3q h ASP 53 CO 0.00 0.00 -1.96 0.61 -2.88 0.00 0.00 179.24 175.01 1x3q n GLY 54 N -1.45 -0.57 0.15 -0.78 0.00 0.11 -4.37 105.19 98.28 1x3q n GLY 54 Ca 0.06 -0.22 -0.06 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.60 1.27 -2.41 0.99 4.32 -0.67 -4.64 117.00 112.26 1x3q n LEU 55 Ca -0.34 0.21 -0.23 0.00 -0.02 0.00 0.00 56.01 55.64 1x3q n LEU 55 Cb 0.99 -0.63 -0.10 0.00 -1.62 0.00 0.00 43.42 42.07 1x3q n LEU 55 CO 0.38 -0.37 1.75 -0.62 -1.22 0.00 0.00 177.39 177.30 1x3q n GLU 56 N -3.77 2.47 0.00 3.23 4.71 0.26 -4.48 120.64 123.05 1x3q n GLU 56 Ca -0.09 -1.90 0.00 0.00 -0.01 0.00 0.00 57.16 55.16 1x3q n GLU 56 Cb 0.32 -2.16 0.00 0.00 -1.01 0.00 0.00 31.44 28.60 1x3q n GLU 56 CO 0.00 0.00 0.00 0.98 0.09 0.00 0.00 177.13 178.20