#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x3q s SER 2 N 0.00 -0.47 0.00 1.61 0.01 -1.26 -4.87 113.70 108.72 1x3q s SER 2 Ca 0.00 0.90 0.00 0.00 1.31 0.00 0.00 55.95 58.16 1x3q s SER 2 Cb 0.00 0.93 0.00 0.00 0.21 0.00 0.00 66.02 67.16 1x3q s SER 2 CO 0.00 -0.15 0.00 0.00 0.41 0.00 0.00 173.24 173.50 1x3q n GLN 3 N 2.34 0.00 0.00 12.44 6.02 -1.26 -5.06 117.38 131.86 1x3q n GLN 3 Ca -0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.86 1x3q n GLN 3 Cb 0.56 -0.04 0.00 0.00 1.02 0.00 0.00 30.24 31.78 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 -2.39 0.00 -1.35 5.09 0.31 -1.26 -4.99 118.33 113.74 1x3q n VAL 4 Ca 0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 64.34 63.98 1x3q n VAL 4 Cb 0.00 -0.37 0.10 0.00 -0.91 0.00 0.00 33.84 32.66 1x3q n VAL 4 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1x3q n PHE 5 N 0.00 1.21 -0.28 3.52 3.01 -1.26 -4.86 117.46 118.80 1x3q n PHE 5 Ca 0.00 0.40 0.11 0.00 1.01 0.00 0.00 57.45 58.97 1x3q n PHE 5 Cb 0.00 -2.14 0.36 0.00 -0.01 0.00 0.00 39.48 37.69 1x3q n PHE 5 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1x3q h GLU 6 N -0.32 0.72 -5.12 -1.08 4.39 -2.00 -3.47 114.58 107.70 1x3q h GLU 6 Ca -0.48 -0.04 -0.24 0.00 0.34 0.00 0.00 59.36 58.94 1x3q h GLU 6 Cb 1.32 -0.16 0.16 0.00 -0.10 0.00 0.00 28.75 29.97 1x3q h GLU 6 CO 0.48 0.48 -0.71 0.66 -1.16 0.00 0.00 179.01 178.75 1x3q n TYR 7 N -4.56 -2.04 -2.41 4.33 4.01 -1.26 -4.94 117.16 110.28 1x3q n TYR 7 Ca 0.17 0.76 -0.18 0.00 -0.16 0.00 0.00 57.90 58.50 1x3q n TYR 7 Cb 0.44 -4.17 0.02 0.00 -0.31 0.00 0.00 39.34 35.31 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 -3.24 4.29 -0.10 -0.72 0.00 -1.26 -4.81 120.51 114.67 1x3q n ALA 8 Ca -0.13 -3.63 -0.05 0.00 0.00 0.00 0.00 53.44 49.63 1x3q n ALA 8 Cb 0.62 -0.59 0.14 0.00 0.00 0.00 0.00 19.45 19.62 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 2.51 0.79 -6.84 0.00 9.09 -1.88 -3.46 114.58 114.78 1x3q h GLU 9 Ca 0.17 -0.24 -0.57 0.00 0.05 0.00 0.00 59.36 58.78 1x3q h GLU 9 Cb 1.25 -0.08 -0.13 0.00 -1.65 0.00 0.00 28.75 28.15 1x3q h GLU 9 CO 0.63 0.84 -0.94 1.55 0.05 0.00 0.00 179.01 181.13 1x3q n VAL 10 N -4.19 -2.05 0.00 -1.06 3.14 -1.24 -4.06 118.33 108.87 1x3q n VAL 10 Ca 0.02 -0.53 0.00 0.00 -2.96 0.00 0.00 64.34 60.87 1x3q n VAL 10 Cb 0.34 -1.81 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 0.47 -6.46 0.00 0.00 176.83 170.84 1x3q n ASP 11 N -2.85 0.00 -3.23 6.55 8.00 -1.26 -4.50 116.55 119.25 1x3q n ASP 11 Ca -0.30 0.00 -0.24 0.00 0.71 0.00 0.00 54.79 54.96 1x3q n ASP 11 Cb 0.68 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.71 1x3q n ASP 11 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1x3q n GLU 12 N 0.00 1.43 -1.53 -1.24 1.02 -1.26 -4.89 120.64 114.17 1x3q n GLU 12 Ca 0.00 -3.76 0.00 0.00 -0.02 0.00 0.00 57.16 53.38 1x3q n GLU 12 Cb 0.00 -1.64 0.00 0.00 -0.02 0.00 0.00 31.44 29.78 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 0.97 -0.63 -0.01 -3.67 -6.64 -1.26 -4.84 119.36 103.28 1x3q n ILE 13 Ca 0.25 0.29 -0.01 0.00 -1.77 0.00 0.00 62.75 61.50 1x3q n ILE 13 Cb 0.51 -0.38 -0.02 0.00 -1.44 0.00 0.00 39.64 38.31 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 0.45 0.20 -3.93 7.28 0.31 -1.26 -4.80 118.33 116.58 1x3q n VAL 14 Ca 0.00 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 1x3q n VAL 14 Cb 0.00 -0.90 0.00 0.00 -0.91 0.00 0.00 33.84 32.03 1x3q n VAL 14 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1x3q n GLU 15 N -2.14 0.39 0.00 5.55 1.02 -1.26 -4.87 120.64 119.33 1x3q n GLU 15 Ca -0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 1x3q n GLU 15 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.01 1x3q n GLU 15 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1x3q n LYS 16 N 0.00 -1.36 0.00 3.49 -0.00 -1.26 -3.55 118.16 115.48 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 2.89 0.00 0.00 0.00 177.40 180.29 1x3q n ARG 17 N -0.01 0.00 -3.40 -1.58 -4.01 -1.21 -5.02 116.66 101.43 1x3q n ARG 17 Ca 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.81 1x3q n ARG 17 Cb 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.42 1x3q n ARG 17 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1x3q n GLY 18 N 0.00 -0.75 0.00 2.89 0.00 -1.26 -4.26 105.19 101.80 1x3q n GLY 18 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.17 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 0.00 0.20 1.61 5.02 -1.21 -4.87 118.16 118.91 1x3q n LYS 19 Ca 0.00 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.41 1x3q n LYS 19 Cb 0.00 0.00 0.68 0.00 -0.02 0.00 0.00 35.03 35.69 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 0.00 0.00 1.13 0.72 0.00 -2.02 -2.61 103.07 100.28 1x3q h GLY 20 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.12 1x3q h GLY 20 CO 0.00 0.00 -0.74 0.07 0.00 0.00 0.00 176.54 175.87 1x3q h LYS 21 N 0.00 0.75 0.00 4.80 -0.00 -2.04 -3.46 116.57 116.62 1x3q h LYS 21 Ca 0.06 -0.62 0.00 0.00 -0.00 0.00 0.00 60.65 60.09 1x3q h LYS 21 Cb 0.25 0.13 0.00 0.00 -0.00 0.00 0.00 32.23 32.61 1x3q h LYS 21 CO -0.00 1.23 0.00 -3.47 -0.00 0.00 0.00 179.45 177.21 1x3q n ASP 22 N -3.98 0.00 -3.61 7.07 2.03 -0.98 -5.18 116.55 111.90 1x3q n ASP 22 Ca -0.08 0.00 -0.21 0.00 0.52 0.00 0.00 54.79 55.02 1x3q n ASP 22 Cb 0.73 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 41.08 1x3q n ASP 22 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1x3q n VAL 23 N 0.00 0.00 0.00 5.18 0.31 -1.25 -3.33 118.33 119.24 1x3q n VAL 23 Ca 0.00 -1.80 0.00 0.00 -0.01 0.00 0.00 64.34 62.53 1x3q n VAL 23 Cb 0.00 0.52 0.00 0.00 -0.91 0.00 0.00 33.84 33.45 1x3q n VAL 23 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 1x3q n GLU 24 N -0.81 0.00 -4.06 5.55 0.28 -1.26 -3.31 120.64 117.03 1x3q n GLU 24 Ca -0.09 0.00 -0.22 0.00 -0.16 0.00 0.00 57.16 56.69 1x3q n GLU 24 Cb 0.47 0.00 -0.17 0.00 1.43 0.00 0.00 31.44 33.17 1x3q n GLU 24 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 1x3q s TYR 25 N -1.68 0.86 0.00 -1.84 1.51 0.14 -3.32 117.35 113.02 1x3q s TYR 25 Ca 0.00 -0.28 0.00 0.00 -1.01 0.00 0.00 57.07 55.78 1x3q s TYR 25 Cb 0.00 -0.79 0.00 0.00 -0.11 0.00 0.00 41.96 41.06 1x3q s TYR 25 CO 0.00 -0.27 0.00 1.28 -1.11 0.00 0.00 175.55 175.45 1x3q n LEU 26 N 4.41 0.00 -2.28 -1.29 4.77 -1.23 -4.50 117.00 116.87 1x3q n LEU 26 Ca -0.19 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 1x3q n LEU 26 Cb 0.51 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.64 1x3q n LEU 26 CO 0.19 0.00 0.04 0.52 -1.33 0.00 0.00 177.39 176.81 1x3q n VAL 27 N 0.00 0.95 0.00 4.08 0.31 -1.26 -1.01 118.33 121.40 1x3q n VAL 27 Ca 0.00 -2.37 0.00 0.00 -0.01 0.00 0.00 64.34 61.96 1x3q n VAL 27 Cb 0.00 1.02 0.00 0.00 -0.91 0.00 0.00 33.84 33.95 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 -0.26 0.00 0.00 5.55 -4.01 -1.26 -4.18 116.66 112.50 1x3q n ARG 28 Ca 0.09 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.90 1x3q n ARG 28 Cb 0.92 -0.65 0.00 0.00 -3.04 0.00 0.00 32.46 29.69 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 -2.27 0.00 -0.07 2.89 -0.00 -1.26 -3.72 117.44 113.02 1x3q n TRP 29 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 57.50 57.46 1x3q n TRP 29 Cb 0.29 0.00 -0.02 0.00 -0.00 0.00 0.00 31.31 31.58 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 0.00 -6.90 -2.67 1.63 -1.94 -3.43 116.57 103.26 1x3q h LYS 30 Ca 0.00 0.00 -0.54 0.00 -0.85 0.00 0.00 60.65 59.26 1x3q h LYS 30 Cb 0.00 0.00 0.10 0.00 -0.60 0.00 0.00 32.23 31.73 1x3q h LYS 30 CO 0.00 0.04 0.81 0.34 -3.45 0.00 0.00 179.45 177.18 1x3q s ASP 31 N -5.73 6.37 0.00 4.20 -1.08 -1.26 -4.91 116.67 114.26 1x3q s ASP 31 Ca -0.12 3.01 0.00 0.00 -0.52 0.00 0.00 52.55 54.92 1x3q s ASP 31 Cb 0.02 -2.66 0.00 0.00 -1.46 0.00 0.00 42.92 38.82 1x3q s ASP 31 CO 0.18 -0.88 0.00 0.61 0.52 0.00 0.00 175.17 175.61 1x3q n GLY 32 N 1.01 0.00 0.09 2.66 0.00 -1.26 -4.24 105.19 103.45 1x3q n GLY 32 Ca 0.03 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.89 1x3q n GLY 32 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1x3q h GLY 33 N 0.00 0.13 0.00 -0.02 0.00 -1.98 -3.43 103.07 97.77 1x3q h GLY 33 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.01 1x3q h GLY 33 CO 0.00 0.28 0.00 1.34 0.00 0.00 0.00 176.54 178.16 1x3q n ASP 34 N -4.42 0.00 -3.49 0.19 -0.08 -1.26 -4.93 116.55 102.56 1x3q n ASP 34 Ca -0.12 0.00 -0.04 0.00 -1.51 0.00 0.00 54.79 53.12 1x3q n ASP 34 Cb 0.62 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 44.02 1x3q n ASP 34 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1x3q n GLU 36 N 5.41 3.96 -1.58 0.00 -0.58 -1.26 -5.00 120.64 121.59 1x3q n GLU 36 Ca -0.07 -2.69 -0.46 0.00 -0.42 0.00 0.00 57.16 53.52 1x3q n GLU 36 Cb 0.50 -2.01 -0.02 0.00 -0.57 0.00 0.00 31.44 29.34 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 0.79 1.27 -3.94 -0.32 2.14 -0.18 -4.98 117.44 112.23 1x3q n TRP 37 Ca 0.24 0.69 -0.10 0.00 2.07 0.00 0.00 57.50 60.40 1x3q n TRP 37 Cb 0.95 -2.26 -0.10 0.00 -0.81 0.00 0.00 31.31 29.09 1x3q n TRP 37 CO 0.00 0.00 0.00 0.08 2.07 0.00 0.00 177.69 179.84 1x3q s VAL 38 N -0.76 0.10 0.46 -1.67 1.01 -1.26 -4.89 120.40 113.38 1x3q s VAL 38 Ca 0.63 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.76 1x3q s VAL 38 Cb -0.75 -0.38 0.00 0.00 0.00 0.00 0.00 36.38 35.25 1x3q s VAL 38 CO 0.57 -0.47 0.00 0.29 0.00 0.00 0.00 175.10 175.49 1x3q n LYS 39 N 1.47 -3.33 0.09 2.72 4.76 -1.26 -4.25 118.16 118.36 1x3q n LYS 39 Ca -0.23 2.56 0.00 0.00 -2.87 0.00 0.00 58.31 57.77 1x3q n LYS 39 Cb 0.55 -3.26 0.00 0.00 -1.84 0.00 0.00 35.03 30.49 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 -2.18 -0.20 0.34 0.72 0.00 -1.21 0.26 105.19 102.91 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 -2.08 0.00 0.00 0.00 173.32 171.24 1x3q h VAL 41 N 0.00 0.51 0.15 1.61 2.07 -1.89 1.88 116.25 120.58 1x3q h VAL 41 Ca 0.00 -0.18 -0.31 0.00 0.82 0.00 0.00 66.70 67.03 1x3q h VAL 41 Cb 0.00 -0.05 0.01 0.00 -1.52 0.00 0.00 31.29 29.72 1x3q h VAL 41 CO 0.00 0.09 -1.51 0.45 0.02 0.00 0.00 177.57 176.63 1x3q h HIS 42 N 0.52 0.60 -0.67 1.57 -0.00 -1.96 -3.33 115.15 111.87 1x3q h HIS 42 Ca 0.62 -0.44 -0.41 0.00 -0.00 0.00 0.00 60.37 60.15 1x3q h HIS 42 Cb 1.20 -0.02 -0.16 0.00 -0.00 0.00 0.00 27.41 28.42 1x3q h HIS 42 CO -0.04 1.44 0.47 0.28 -0.00 0.00 0.00 177.93 180.08 1x3q n VAL 43 N -3.53 3.00 -3.34 2.45 0.31 0.26 -4.84 118.33 112.63 1x3q n VAL 43 Ca -0.16 -2.11 -0.11 0.00 -0.01 0.00 0.00 64.34 61.95 1x3q n VAL 43 Cb 1.06 -1.37 0.01 0.00 -0.91 0.00 0.00 33.84 32.62 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 0.31 -2.59 0.10 3.52 0.00 0.20 -4.57 120.51 117.46 1x3q n ALA 44 Ca 0.38 -0.09 -0.04 0.00 0.00 0.00 0.00 53.44 53.68 1x3q n ALA 44 Cb 0.58 -1.76 -0.02 0.00 0.00 0.00 0.00 19.45 18.24 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 -0.07 -0.26 0.00 0.00 4.81 0.23 -2.70 114.58 116.59 1x3q h GLU 45 Ca -0.28 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.97 1x3q h GLU 45 Cb 1.17 0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.61 1x3q h GLU 45 CO 0.34 -0.17 0.00 -0.25 -0.73 0.00 0.00 179.01 178.20 1x3q n ASP 46 N -2.90 0.00 0.07 1.04 8.00 -1.26 -2.10 116.55 119.39 1x3q n ASP 46 Ca -0.03 -0.50 -0.22 0.00 0.71 0.00 0.00 54.79 54.74 1x3q n ASP 46 Cb 0.11 -0.05 -0.15 0.00 -0.02 0.00 0.00 41.12 41.02 1x3q n ASP 46 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1x3q h VAL 47 N 0.00 0.93 0.00 2.53 2.07 -1.85 -3.36 116.25 116.57 1x3q h VAL 47 Ca 0.00 -2.52 -0.30 0.00 0.82 0.00 0.00 66.70 64.70 1x3q h VAL 47 Cb 0.03 2.75 -0.05 0.00 -1.52 0.00 0.00 31.29 32.50 1x3q h VAL 47 CO 0.00 0.86 -1.79 0.00 0.02 0.00 0.00 177.57 176.66 1x3q n ALA 48 N -2.86 1.51 -0.07 1.67 0.00 -1.04 -4.09 120.51 115.63 1x3q n ALA 48 Ca -0.25 -0.83 -0.14 0.00 0.00 0.00 0.00 53.44 52.22 1x3q n ALA 48 Cb 1.07 -0.77 -0.09 0.00 0.00 0.00 0.00 19.45 19.66 1x3q n ALA 48 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1x3q h LYS 49 N 0.00 -0.46 -0.81 0.00 3.64 -1.60 0.88 116.57 118.22 1x3q h LYS 49 Ca -0.31 0.03 0.10 0.00 -1.27 0.00 0.00 60.65 59.19 1x3q h LYS 49 Cb 2.03 0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 33.90 1x3q h LYS 49 CO 0.07 -0.31 0.53 0.22 -2.27 0.00 0.00 179.45 177.69 1x3q h ASP 50 N -0.48 0.68 0.06 4.20 3.58 -1.76 1.16 116.42 123.85 1x3q h ASP 50 Ca 0.06 0.02 -0.00 0.00 0.42 0.00 0.00 57.03 57.53 1x3q h ASP 50 Cb 0.64 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.56 1x3q h ASP 50 CO -0.51 0.40 -0.03 0.22 -2.88 0.00 0.00 179.24 176.44 1x3q h TYR 51 N 0.75 -0.08 0.00 0.28 3.20 -1.08 -2.52 116.97 117.52 1x3q h TYR 51 Ca 0.37 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.24 1x3q h TYR 51 Cb 0.44 0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.74 1x3q h TYR 51 CO -0.00 0.35 -0.04 1.49 -1.64 0.00 0.00 178.16 178.32 1x3q h GLU 52 N -0.53 0.00 -1.17 1.82 4.22 0.12 -1.18 114.58 117.85 1x3q h GLU 52 Ca -0.01 0.00 0.35 0.00 0.08 0.00 0.00 59.36 59.78 1x3q h GLU 52 Cb 0.46 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.61 1x3q h GLU 52 CO 0.01 0.00 0.76 0.22 -2.18 0.00 0.00 179.01 177.83 1x3q h ASP 53 N -0.46 0.33 0.06 1.04 1.82 0.12 1.24 116.42 120.56 1x3q h ASP 53 Ca 0.00 0.10 -0.13 0.00 -0.39 0.00 0.00 57.03 56.61 1x3q h ASP 53 Cb 0.04 0.06 -0.00 0.00 0.68 0.00 0.00 39.33 40.11 1x3q h ASP 53 CO 0.00 -0.04 -0.67 1.23 -1.61 0.00 0.00 179.24 178.15 1x3q h GLY 54 N 0.23 0.13 0.53 -0.78 0.00 -1.30 -2.59 103.07 99.30 1x3q h GLY 54 Ca 0.69 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 47.67 1x3q h GLY 54 CO -0.33 0.30 -0.11 0.17 0.00 0.00 0.00 176.54 176.57 1x3q h LEU 55 N -0.72 -0.26 -3.41 3.11 8.10 0.19 -3.17 115.31 119.15 1x3q h LEU 55 Ca -0.15 -0.26 -0.37 0.00 0.11 0.00 0.00 57.88 57.21 1x3q h LEU 55 Cb 1.35 0.07 -0.19 0.00 -0.44 0.00 0.00 40.66 41.44 1x3q h LEU 55 CO 0.01 0.19 0.47 -0.62 -4.11 0.00 0.00 178.44 174.39 1x3q n GLU 56 N -5.03 1.90 0.00 0.17 1.02 0.41 -4.33 120.64 114.79 1x3q n GLU 56 Ca -0.09 -1.99 0.00 0.00 -0.02 0.00 0.00 57.16 55.06 1x3q n GLU 56 Cb 0.26 -1.78 0.00 0.00 -0.02 0.00 0.00 31.44 29.90 1x3q n GLU 56 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29