#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 -0.20 -1.25 1.61 3.41 -1.26 -4.81 113.62 111.12 1x3q n SER 2 Ca 0.00 0.16 -0.16 0.00 -0.26 0.00 0.00 58.87 58.61 1x3q n SER 2 Cb 0.00 0.36 -0.07 0.00 -0.26 0.00 0.00 64.21 64.24 1x3q n SER 2 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1x3q n GLN 3 N -2.36 -1.54 -0.06 4.33 0.00 -1.26 -4.70 117.38 111.80 1x3q n GLN 3 Ca 0.00 1.01 -0.07 0.00 -0.00 0.00 0.00 57.00 57.95 1x3q n GLN 3 Cb 0.00 -5.37 -0.07 0.00 0.00 0.00 0.00 30.24 24.80 1x3q n GLN 3 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 1x3q n VAL 4 N -2.20 0.70 -0.30 1.69 0.31 -1.26 -4.54 118.33 112.72 1x3q n VAL 4 Ca -0.16 -0.36 0.32 0.00 -0.01 0.00 0.00 64.34 64.14 1x3q n VAL 4 Cb 0.60 -0.83 0.49 0.00 -0.91 0.00 0.00 33.84 33.19 1x3q n VAL 4 CO 0.00 0.00 0.00 2.22 -1.32 0.00 0.00 176.83 177.73 1x3q n PHE 5 N -2.59 0.00 0.04 3.52 1.16 -1.26 0.14 117.46 118.47 1x3q n PHE 5 Ca -0.19 0.00 -0.12 0.00 -1.87 0.00 0.00 57.45 55.27 1x3q n PHE 5 Cb 0.78 -0.29 -0.07 0.00 -1.61 0.00 0.00 39.48 38.29 1x3q n PHE 5 CO 0.00 0.00 0.00 1.05 -1.87 0.00 0.00 176.76 175.94 1x3q h GLU 6 N 0.00 -0.00 0.00 3.97 4.11 -1.98 -3.47 114.58 117.21 1x3q h GLU 6 Ca 0.56 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.99 1x3q h GLU 6 Cb 2.98 0.00 0.00 0.00 0.50 0.00 0.00 28.75 32.23 1x3q h GLU 6 CO -0.01 -0.00 0.00 0.66 0.07 0.00 0.00 179.01 179.73 1x3q n TYR 7 N -5.09 -1.34 -0.70 2.06 4.01 0.37 -4.94 117.16 111.53 1x3q n TYR 7 Ca -0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.67 1x3q n TYR 7 Cb 0.03 0.10 0.00 0.00 -0.31 0.00 0.00 39.34 39.17 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 0.02 0.00 0.25 -0.72 0.00 -1.26 -4.99 120.51 113.80 1x3q n ALA 8 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 1x3q n ALA 8 Cb 0.00 -0.14 0.64 0.00 0.00 0.00 0.00 19.45 19.94 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 0.00 0.00 -6.47 0.00 9.09 -1.88 -3.46 114.58 111.85 1x3q h GLU 9 Ca 0.00 0.00 -0.50 0.00 0.05 0.00 0.00 59.36 58.91 1x3q h GLU 9 Cb 0.29 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 27.32 1x3q h GLU 9 CO 0.00 0.11 -0.86 1.55 0.05 0.00 0.00 179.01 179.86 1x3q n VAL 10 N -4.13 -2.87 0.00 -1.06 3.14 -1.22 -4.28 118.33 107.91 1x3q n VAL 10 Ca -0.02 -0.40 0.00 0.00 -2.96 0.00 0.00 64.34 60.96 1x3q n VAL 10 Cb 0.19 -2.66 0.00 0.00 -1.06 0.00 0.00 33.84 30.32 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 -2.94 0.00 -3.21 6.55 -0.08 -1.26 -4.43 116.55 111.18 1x3q n ASP 11 Ca -0.23 0.00 -0.25 0.00 -1.51 0.00 0.00 54.79 52.79 1x3q n ASP 11 Cb 0.65 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 44.05 1x3q n ASP 11 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1x3q n GLU 12 N 0.00 2.17 -1.51 -0.67 1.02 -1.26 -4.88 120.64 115.51 1x3q n GLU 12 Ca 0.00 -4.27 0.00 0.00 -0.02 0.00 0.00 57.16 52.87 1x3q n GLU 12 Cb 0.00 -1.98 0.00 0.00 -0.02 0.00 0.00 31.44 29.44 1x3q n GLU 12 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 1x3q n ILE 13 N 0.55 -0.23 -0.06 -3.67 -6.64 -1.26 -4.87 119.36 103.19 1x3q n ILE 13 Ca 0.28 0.07 -0.05 0.00 -1.77 0.00 0.00 62.75 61.28 1x3q n ILE 13 Cb 0.46 -0.36 -0.10 0.00 -1.44 0.00 0.00 39.64 38.20 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 1.03 0.81 -3.19 7.28 0.31 -1.26 -4.81 118.33 118.50 1x3q n VAL 14 Ca 0.00 -0.52 0.00 0.00 -0.01 0.00 0.00 64.34 63.81 1x3q n VAL 14 Cb 0.00 -0.60 0.00 0.00 -0.91 0.00 0.00 33.84 32.33 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 -2.44 1.94 -3.65 5.55 2.13 -1.26 -4.90 120.64 118.01 1x3q n GLU 15 Ca -0.19 0.00 0.04 0.00 0.66 0.00 0.00 57.16 57.66 1x3q n GLU 15 Cb 0.88 0.00 0.01 0.00 0.27 0.00 0.00 31.44 32.59 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 0.02 -1.02 5.31 -0.00 -1.26 -4.24 118.16 116.98 1x3q n LYS 16 Ca 0.00 -0.44 0.00 0.00 -0.00 0.00 0.00 58.31 57.87 1x3q n LYS 16 Cb 0.00 0.85 0.00 0.00 -0.00 0.00 0.00 35.03 35.88 1x3q n LYS 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1x3q n ARG 17 N -0.80 -2.90 0.00 -1.58 5.12 -1.23 -4.91 116.66 110.36 1x3q n ARG 17 Ca 0.05 2.14 0.00 0.00 -1.93 0.00 0.00 57.85 58.11 1x3q n ARG 17 Cb 0.47 -2.39 0.00 0.00 -1.16 0.00 0.00 32.46 29.38 1x3q n ARG 17 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1x3q n GLY 18 N -0.60 3.87 3.39 -0.13 0.00 -1.24 -4.62 105.19 105.86 1x3q n GLY 18 Ca 0.00 -0.61 -0.37 0.00 0.00 0.00 0.00 46.02 45.04 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 0.28 -0.32 1.61 4.76 0.11 -4.76 118.16 119.84 1x3q n LYS 19 Ca 0.00 0.12 0.35 0.00 -2.87 0.00 0.00 58.31 55.91 1x3q n LYS 19 Cb 0.00 -1.55 0.75 0.00 -1.84 0.00 0.00 35.03 32.39 1x3q n LYS 19 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 1x3q h GLY 20 N -0.16 0.00 -4.64 0.72 0.00 -2.05 -0.35 103.07 96.60 1x3q h GLY 20 Ca -0.44 0.00 -0.47 0.00 0.00 0.00 0.00 47.33 46.42 1x3q h GLY 20 CO 0.42 0.00 -0.93 0.28 0.00 0.00 0.00 176.54 176.31 1x3q n LYS 21 N -4.17 2.58 -3.15 4.80 5.02 -1.26 -4.98 118.16 117.00 1x3q n LYS 21 Ca 0.25 -3.95 0.06 0.00 -2.02 0.00 0.00 58.31 52.65 1x3q n LYS 21 Cb 1.25 -1.88 -0.01 0.00 -0.02 0.00 0.00 35.03 34.36 1x3q n LYS 21 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1x3q s ASP 22 N -3.47 -0.20 0.06 4.39 2.15 -0.14 -5.17 116.67 114.30 1x3q s ASP 22 Ca 0.40 0.10 0.08 0.00 0.43 0.00 0.00 52.55 53.55 1x3q s ASP 22 Cb 0.41 1.16 -0.03 0.00 -0.30 0.00 0.00 42.92 44.15 1x3q s ASP 22 CO -0.06 -0.04 -0.18 -0.69 -0.17 0.00 0.00 175.17 174.03 1x3q s VAL 23 N 2.98 2.79 0.01 1.11 1.01 -1.26 0.06 120.40 127.10 1x3q s VAL 23 Ca 0.01 -1.28 -0.19 0.00 0.00 0.00 0.00 61.98 60.53 1x3q s VAL 23 Cb -0.07 -2.20 0.04 0.00 0.00 0.00 0.00 36.38 34.14 1x3q s VAL 23 CO -0.11 0.27 0.41 -1.83 0.00 0.00 0.00 175.10 173.84 1x3q s GLU 24 N -1.63 0.85 -0.35 2.72 1.03 -1.26 0.64 118.70 120.70 1x3q s GLU 24 Ca 0.15 -0.22 0.01 0.00 0.03 0.00 0.00 54.97 54.94 1x3q s GLU 24 Cb -0.10 0.38 0.11 0.00 -0.80 0.00 0.00 34.13 33.72 1x3q s GLU 24 CO 0.07 -0.27 0.12 0.71 -1.33 0.00 0.00 175.26 174.56 1x3q s TYR 25 N -1.91 2.16 0.00 4.83 1.51 -1.25 -3.48 117.35 119.20 1x3q s TYR 25 Ca -0.09 -2.14 0.00 0.00 -1.01 0.00 0.00 57.07 53.84 1x3q s TYR 25 Cb -0.02 -1.99 0.00 0.00 -0.11 0.00 0.00 41.96 39.84 1x3q s TYR 25 CO 0.02 -0.87 0.00 1.47 -1.11 0.00 0.00 175.55 175.06 1x3q n LEU 26 N 4.43 0.00 -1.57 -1.29 -0.00 -1.26 -4.70 117.00 112.61 1x3q n LEU 26 Ca 0.01 0.00 0.03 0.00 -0.00 0.00 0.00 56.01 56.05 1x3q n LEU 26 Cb 0.40 0.00 0.02 0.00 -0.00 0.00 0.00 43.42 43.84 1x3q n LEU 26 CO 0.16 0.00 0.08 0.52 -0.00 0.00 0.00 177.39 178.16 1x3q n VAL 27 N 0.00 0.10 0.00 1.47 0.31 -1.26 -1.64 118.33 117.31 1x3q n VAL 27 Ca 0.00 -1.07 0.00 0.00 -0.01 0.00 0.00 64.34 63.26 1x3q n VAL 27 Cb 0.00 0.98 0.00 0.00 -0.91 0.00 0.00 33.84 33.91 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 0.36 0.00 0.00 5.55 -4.01 -1.26 -4.20 116.66 113.10 1x3q n ARG 28 Ca 0.03 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.84 1x3q n ARG 28 Cb 1.09 -0.64 0.00 0.00 -3.04 0.00 0.00 32.46 29.87 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 -2.67 0.00 -0.09 2.89 -0.00 -1.26 -3.41 117.44 112.91 1x3q n TRP 29 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 57.50 57.29 1x3q n TRP 29 Cb 0.42 -0.04 -0.12 0.00 -0.00 0.00 0.00 31.31 31.57 1x3q n TRP 29 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 177.69 177.47 1x3q h LYS 30 N 0.00 0.04 -1.22 -2.67 1.63 -1.92 -3.43 116.57 109.00 1x3q h LYS 30 Ca 0.00 -0.06 -0.13 0.00 -0.85 0.00 0.00 60.65 59.61 1x3q h LYS 30 Cb 0.00 0.02 0.03 0.00 -0.60 0.00 0.00 32.23 31.68 1x3q h LYS 30 CO 0.00 1.03 -0.15 -3.47 -3.45 0.00 0.00 179.45 173.41 1x3q n ASP 31 N -4.34 -0.40 0.12 4.20 -0.08 -1.26 -4.88 116.55 109.91 1x3q n ASP 31 Ca -0.30 0.20 0.00 0.00 -1.51 0.00 0.00 54.79 53.18 1x3q n ASP 31 Cb 0.71 -0.19 0.00 0.00 2.34 0.00 0.00 41.12 43.98 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 0.44 -1.26 0.13 0.27 0.00 -1.26 -4.89 105.19 98.62 1x3q n GLY 32 Ca 0.03 0.25 -0.21 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.44 -0.58 3.44 -0.02 0.00 -1.26 -5.01 105.19 100.32 1x3q n GLY 33 Ca 0.00 -0.19 -0.22 0.00 0.00 0.00 0.00 46.02 45.62 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 -6.96 2.23 0.17 1.61 2.15 -1.26 -5.15 116.67 109.46 1x3q s ASP 34 Ca -0.26 -1.50 -0.14 0.00 0.43 0.00 0.00 52.55 51.09 1x3q s ASP 34 Cb 0.07 0.20 -0.07 0.00 -0.30 0.00 0.00 42.92 42.82 1x3q s ASP 34 CO 0.70 -0.76 0.56 0.00 -0.17 0.00 0.00 175.17 175.50 1x3q n GLU 36 N 0.62 1.73 -0.45 0.00 1.02 -1.26 -5.07 120.64 117.23 1x3q n GLU 36 Ca -0.04 -3.24 -0.13 0.00 -0.02 0.00 0.00 57.16 53.73 1x3q n GLU 36 Cb 0.52 -1.37 0.12 0.00 -0.02 0.00 0.00 31.44 30.69 1x3q n GLU 36 CO 0.00 0.00 0.00 0.91 1.18 0.00 0.00 177.13 179.22 1x3q n TRP 37 N -0.47 -2.31 0.03 -0.32 8.01 -0.65 -4.86 117.44 116.86 1x3q n TRP 37 Ca 0.19 -0.03 0.00 0.00 -1.31 0.00 0.00 57.50 56.35 1x3q n TRP 37 Cb 0.90 -1.18 0.00 0.00 -2.01 0.00 0.00 31.31 29.03 1x3q n TRP 37 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.69 176.96 1x3q n VAL 38 N -4.15 0.00 -3.63 -0.99 0.31 -1.26 -5.01 118.33 103.60 1x3q n VAL 38 Ca 0.06 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.27 1x3q n VAL 38 Cb 0.25 -0.23 -0.07 0.00 -0.91 0.00 0.00 33.84 32.89 1x3q n VAL 38 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 1x3q s LYS 39 N -2.00 0.76 -0.25 5.55 -2.85 -1.26 -4.94 119.74 114.74 1x3q s LYS 39 Ca 0.00 0.94 -0.15 0.00 -1.00 0.00 0.00 55.97 55.76 1x3q s LYS 39 Cb 0.00 0.35 -0.11 0.00 -2.06 0.00 0.00 37.83 36.01 1x3q s LYS 39 CO 0.00 -0.10 -0.30 0.41 0.10 0.00 0.00 175.35 175.46 1x3q n GLY 40 N 2.77 -0.52 0.30 0.59 0.00 0.21 -3.25 105.19 105.29 1x3q n GLY 40 Ca -0.14 -0.16 0.10 0.00 0.00 0.00 0.00 46.02 45.82 1x3q n GLY 40 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1x3q h VAL 41 N -1.00 0.45 -0.09 1.61 2.07 -1.88 1.30 116.25 118.71 1x3q h VAL 41 Ca -0.52 -0.10 -0.19 0.00 0.82 0.00 0.00 66.70 66.71 1x3q h VAL 41 Cb 1.44 0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 31.33 1x3q h VAL 41 CO -0.31 0.06 -0.73 0.45 0.02 0.00 0.00 177.57 177.05 1x3q h HIS 42 N 0.31 0.64 -0.88 1.57 -0.00 -1.93 -3.15 115.15 111.71 1x3q h HIS 42 Ca 0.50 -0.28 -0.56 0.00 -0.00 0.00 0.00 60.37 60.02 1x3q h HIS 42 Cb 0.93 -0.10 -0.26 0.00 -0.00 0.00 0.00 27.41 27.98 1x3q h HIS 42 CO -0.22 1.05 0.73 0.28 -0.00 0.00 0.00 177.93 179.77 1x3q n VAL 43 N -3.86 3.32 -3.01 2.45 0.31 0.25 -4.90 118.33 112.90 1x3q n VAL 43 Ca -0.05 -2.41 -0.07 0.00 -0.01 0.00 0.00 64.34 61.81 1x3q n VAL 43 Cb 0.71 -1.05 0.01 0.00 -0.91 0.00 0.00 33.84 32.60 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 -0.70 -2.76 0.20 3.52 0.00 0.31 -4.69 120.51 116.39 1x3q n ALA 44 Ca 0.55 0.59 -0.10 0.00 0.00 0.00 0.00 53.44 54.48 1x3q n ALA 44 Cb 0.85 -2.64 -0.05 0.00 0.00 0.00 0.00 19.45 17.61 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 1.26 -0.57 0.00 0.00 4.81 0.11 -2.40 114.58 117.78 1x3q h GLU 45 Ca -0.05 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1x3q h GLU 45 Cb 1.03 0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.54 1x3q h GLU 45 CO 0.25 -0.38 0.00 -0.25 -0.73 0.00 0.00 179.01 177.90 1x3q n ASP 46 N -3.89 0.00 -0.01 1.04 9.92 -1.26 -2.89 116.55 119.46 1x3q n ASP 46 Ca -0.07 -0.56 -0.21 0.00 -0.53 0.00 0.00 54.79 53.42 1x3q n ASP 46 Cb 0.25 -0.05 -0.14 0.00 -0.64 0.00 0.00 41.12 40.55 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 -1.05 1.75 0.08 2.53 0.31 -1.08 -4.33 118.33 116.55 1x3q n VAL 47 Ca 0.15 -0.61 -0.18 0.00 -0.01 0.00 0.00 64.34 63.69 1x3q n VAL 47 Cb 0.09 -1.74 -0.14 0.00 -0.91 0.00 0.00 33.84 31.14 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 0.03 0.17 -0.51 3.52 0.00 -1.41 -3.36 119.26 117.69 1x3q h ALA 48 Ca -0.43 -1.02 0.10 0.00 0.00 0.00 0.00 54.91 53.56 1x3q h ALA 48 Cb 1.98 0.20 -0.10 0.00 0.00 0.00 0.00 17.79 19.88 1x3q h ALA 48 CO 0.06 1.04 -0.11 -0.22 0.00 0.00 0.00 179.25 180.02 1x3q h LYS 49 N 0.08 0.01 -0.31 0.00 3.64 -1.74 0.67 116.57 118.93 1x3q h LYS 49 Ca -0.22 -0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.25 1x3q h LYS 49 Cb 2.03 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.83 1x3q h LYS 49 CO 0.19 0.01 0.28 -0.44 -2.27 0.00 0.00 179.45 177.21 1x3q h ASP 50 N 0.02 0.00 0.62 4.20 5.19 -1.76 1.53 116.42 126.22 1x3q h ASP 50 Ca 0.25 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.63 1x3q h ASP 50 Cb 0.38 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.90 1x3q h ASP 50 CO -0.51 0.00 -0.30 0.22 -3.12 0.00 0.00 179.24 175.53 1x3q h TYR 51 N 0.00 -0.77 0.00 4.55 3.20 0.21 -0.72 116.97 123.43 1x3q h TYR 51 Ca 0.15 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.00 1x3q h TYR 51 Cb 0.70 0.25 0.00 0.00 1.54 0.00 0.00 36.73 39.22 1x3q h TYR 51 CO 0.00 -0.44 -0.26 -1.91 -1.64 0.00 0.00 178.16 173.91 1x3q n GLU 52 N -5.41 0.23 -0.48 1.82 0.00 -0.67 -1.32 120.64 114.80 1x3q n GLU 52 Ca -0.13 0.40 0.42 0.00 0.00 0.00 0.00 57.16 57.85 1x3q n GLU 52 Cb 0.35 -1.24 0.76 0.00 0.00 0.00 0.00 31.44 31.31 1x3q n GLU 52 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.13 177.35 1x3q h ASP 53 N -0.51 0.05 0.00 4.31 1.82 0.19 0.04 116.42 122.32 1x3q h ASP 53 Ca 0.00 0.02 -0.22 0.00 -0.39 0.00 0.00 57.03 56.43 1x3q h ASP 53 Cb 0.26 0.01 -0.03 0.00 0.68 0.00 0.00 39.33 40.25 1x3q h ASP 53 CO 0.00 -0.01 -1.66 0.61 -1.61 0.00 0.00 179.24 176.56 1x3q n GLY 54 N -1.79 -0.56 0.05 -0.78 0.00 -0.40 -4.30 105.19 97.41 1x3q n GLY 54 Ca 0.34 -0.19 -0.01 0.00 0.00 0.00 0.00 46.02 46.15 1x3q n GLY 54 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1x3q h LEU 55 N -1.00 -0.08 -4.29 0.99 3.38 0.02 -3.31 115.31 111.01 1x3q h LEU 55 Ca -0.34 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.30 1x3q h LEU 55 Cb 1.26 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.98 1x3q h LEU 55 CO -0.21 0.05 0.74 1.21 0.09 0.00 0.00 178.44 180.32 1x3q n GLU 56 N -2.84 2.48 0.00 1.13 2.13 -0.05 -4.35 120.64 119.15 1x3q n GLU 56 Ca -0.01 -1.39 0.00 0.00 0.66 0.00 0.00 57.16 56.42 1x3q n GLU 56 Cb 0.04 -2.21 0.00 0.00 0.27 0.00 0.00 31.44 29.53 1x3q n GLU 56 CO 0.00 0.00 0.00 0.98 -0.41 0.00 0.00 177.13 177.70