#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lr1 h GLU 2 N 0.00 0.09 0.00 -1.46 4.81 -2.03 -0.79 114.58 115.20 1lr1 h GLU 2 Ca 0.00 -0.11 -0.06 0.00 -0.13 0.00 0.00 59.36 59.06 1lr1 h GLU 2 Cb 0.00 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 1lr1 h GLU 2 CO 0.00 0.90 -0.28 0.00 -0.73 0.00 0.00 179.01 178.90 1lr1 h ALA 3 N 1.06 0.83 0.08 2.92 0.00 -2.01 0.11 119.26 122.24 1lr1 h ALA 3 Ca -0.03 -0.25 -0.20 0.00 0.00 0.00 0.00 54.91 54.43 1lr1 h ALA 3 Cb 1.51 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.25 1lr1 h ALA 3 CO 0.12 0.35 -1.01 -0.07 0.00 0.00 0.00 179.25 178.64 1lr1 h LEU 4 N 0.00 0.25 0.00 0.00 -0.00 -1.98 -3.37 115.31 110.21 1lr1 h LEU 4 Ca -0.00 -0.84 -0.08 0.00 -0.00 0.00 0.00 57.88 56.96 1lr1 h LEU 4 Cb 1.17 -0.08 -0.01 0.00 -0.00 0.00 0.00 40.66 41.73 1lr1 h LEU 4 CO 0.04 1.44 -0.48 0.50 -0.00 0.00 0.00 178.44 179.94 1lr1 h LYS 5 N -0.57 0.00 -0.25 1.13 1.63 -1.21 0.44 116.57 117.73 1lr1 h LYS 5 Ca -0.23 0.00 0.06 0.00 -0.85 0.00 0.00 60.65 59.63 1lr1 h LYS 5 Cb 1.51 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 33.09 1lr1 h LYS 5 CO 0.01 0.34 -0.11 0.97 -3.45 0.00 0.00 179.45 177.22 1lr1 h ILE 6 N 0.00 0.64 -0.00 2.00 2.10 -0.94 -2.39 117.51 118.92 1lr1 h ILE 6 Ca -0.02 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.92 1lr1 h ILE 6 Cb 1.29 0.64 0.00 0.00 -1.09 0.00 0.00 36.82 37.66 1lr1 h ILE 6 CO 0.05 0.00 -0.84 0.00 -1.08 0.00 0.00 178.15 176.28 1lr1 n LEU 7 N -5.28 0.92 -1.99 2.19 -0.00 -1.25 -4.86 117.00 106.72 1lr1 n LEU 7 Ca -0.01 -0.51 -0.20 0.00 -0.00 0.00 0.00 56.01 55.29 1lr1 n LEU 7 Cb 0.20 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.57 1lr1 n LEU 7 CO 0.20 0.22 -0.23 -3.20 -0.00 0.00 0.00 177.39 174.38 1lr1 n ASN 8 N -1.36 -5.63 -1.25 1.45 4.05 0.14 -4.45 115.26 108.20 1lr1 n ASN 8 Ca 0.04 0.20 0.00 0.00 0.45 0.00 0.00 54.58 55.27 1lr1 n ASN 8 Cb 0.29 -4.76 0.00 0.00 1.23 0.00 0.00 39.78 36.54 1lr1 n ASN 8 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 1lr1 n ASN 9 N -1.61 -6.85 0.03 1.20 5.03 -0.23 -4.31 115.26 108.52 1lr1 n ASN 9 Ca -0.22 0.88 0.22 0.00 0.87 0.00 0.00 54.58 56.33 1lr1 n ASN 9 Cb 0.68 -3.04 0.73 0.00 -1.02 0.00 0.00 39.78 37.12 1lr1 n ASN 9 CO 0.00 0.00 0.00 0.16 -1.83 0.00 0.00 177.26 175.59 1lr1 h ILE 10 N 2.08 0.41 -0.36 2.41 -2.65 -1.92 -2.22 117.51 115.25 1lr1 h ILE 10 Ca 0.00 0.00 0.07 0.00 1.03 0.00 0.00 64.86 65.96 1lr1 h ILE 10 Cb 0.00 0.61 -0.07 0.00 -2.05 0.00 0.00 36.82 35.31 1lr1 h ILE 10 CO 0.00 0.00 -0.10 0.08 0.03 0.00 0.00 178.15 178.16 1lr1 h ARG 11 N 0.00 -0.01 0.08 0.16 0.11 -1.93 0.31 114.38 113.10 1lr1 h ARG 11 Ca 0.25 0.00 -0.29 0.00 0.10 0.00 0.00 59.98 60.04 1lr1 h ARG 11 Cb 1.26 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.33 1lr1 h ARG 11 CO -0.00 -0.01 -1.46 0.00 0.10 0.00 0.00 179.97 178.60 1lr1 h THR 12 N -0.01 1.21 0.72 0.08 1.03 -1.60 -3.36 112.91 110.99 1lr1 h THR 12 Ca 0.17 -2.89 -0.04 0.00 -0.01 0.00 0.00 66.41 63.65 1lr1 h THR 12 Cb 0.27 2.73 0.01 0.00 -1.07 0.00 0.00 68.15 70.09 1lr1 h THR 12 CO -0.38 0.80 -0.35 0.25 -0.01 0.00 0.00 175.52 175.84 1lr1 h LEU 13 N 0.05 -0.82 -1.83 0.00 6.46 -1.21 0.46 115.31 118.41 1lr1 h LEU 13 Ca -0.21 0.01 0.26 0.00 -0.12 0.00 0.00 57.88 57.82 1lr1 h LEU 13 Cb 1.97 0.21 -0.04 0.00 -0.73 0.00 0.00 40.66 42.08 1lr1 h LEU 13 CO 0.14 -0.54 0.77 -0.09 -0.62 0.00 0.00 178.44 178.11 1lr1 h ARG 14 N -1.05 0.00 0.00 1.25 2.43 -1.12 0.59 114.38 116.48 1lr1 h ARG 14 Ca -0.10 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 58.94 1lr1 h ARG 14 Cb 0.76 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.29 1lr1 h ARG 14 CO 0.16 0.00 -0.70 0.00 -1.51 0.00 0.00 179.97 177.92 1lr1 h ALA 15 N 1.29 0.15 -0.25 2.80 0.00 -1.61 -0.61 119.26 121.03 1lr1 h ALA 15 Ca 0.42 -0.89 -0.05 0.00 0.00 0.00 0.00 54.91 54.39 1lr1 h ALA 15 Cb 1.96 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 20.15 1lr1 h ALA 15 CO -0.00 0.39 -0.08 -0.56 0.00 0.00 0.00 179.25 179.00 1lr1 h GLN 16 N -1.00 0.41 0.00 0.00 3.07 0.26 -1.85 115.11 115.99 1lr1 h GLN 16 Ca -0.19 -0.10 -0.07 0.00 0.09 0.00 0.00 58.65 58.38 1lr1 h GLN 16 Cb 1.16 -0.05 -0.01 0.00 0.08 0.00 0.00 27.48 28.65 1lr1 h GLN 16 CO -0.12 0.50 -0.81 0.00 0.09 0.00 0.00 178.83 178.49 1lr1 h ALA 17 N 1.54 0.68 -1.52 0.06 0.00 -0.02 -3.33 119.26 116.67 1lr1 h ALA 17 Ca 0.08 -0.32 0.45 0.00 0.00 0.00 0.00 54.91 55.12 1lr1 h ALA 17 Cb 0.39 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.16 1lr1 h ALA 17 CO 0.02 0.37 1.07 -0.09 0.00 0.00 0.00 179.25 180.62 1lr1 h ARG 18 N 0.00 0.04 -1.15 0.00 2.43 -0.21 1.22 114.38 116.71 1lr1 h ARG 18 Ca -0.04 -0.00 -0.45 0.00 -0.81 0.00 0.00 59.98 58.67 1lr1 h ARG 18 Cb 1.23 -0.01 -0.22 0.00 -0.42 0.00 0.00 29.97 30.55 1lr1 h ARG 18 CO 0.03 0.02 0.58 -0.85 -1.51 0.00 0.00 179.97 178.24 1lr1 n GLU 19 N -4.20 2.11 -0.40 0.20 0.28 -1.25 -4.93 120.64 112.45 1lr1 n GLU 19 Ca 0.35 -2.34 0.00 0.00 -0.16 0.00 0.00 57.16 55.01 1lr1 n GLU 19 Cb 1.57 -1.92 0.00 0.00 1.43 0.00 0.00 31.44 32.52 1lr1 n GLU 19 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 1lr1 n SER 20 N -0.48 0.00 -4.89 -1.84 3.41 0.42 -5.15 113.62 105.08 1lr1 n SER 20 Ca 0.46 -0.28 -0.29 0.00 -0.26 0.00 0.00 58.87 58.49 1lr1 n SER 20 Cb 0.95 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.87 1lr1 n SER 20 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1lr1 s THR 21 N -2.58 4.91 -0.56 6.66 2.01 -1.26 -4.95 115.64 119.87 1lr1 s THR 21 Ca 0.00 0.31 0.13 0.00 0.31 0.00 0.00 61.69 62.44 1lr1 s THR 21 Cb 0.00 -3.75 0.13 0.00 0.01 0.00 0.00 72.50 68.89 1lr1 s THR 21 CO 0.00 -0.47 1.39 0.00 -0.69 0.00 0.00 174.62 174.85 1lr1 n LEU 22 N -1.27 0.32 -0.22 4.42 -0.00 -1.26 -3.05 117.00 115.94 1lr1 n LEU 22 Ca 0.00 0.64 0.28 0.00 -0.00 0.00 0.00 56.01 56.93 1lr1 n LEU 22 Cb 0.54 -0.68 0.42 0.00 -0.00 0.00 0.00 43.42 43.71 1lr1 n LEU 22 CO 0.48 -0.73 1.21 1.21 -0.00 0.00 0.00 177.39 179.57 1lr1 n GLU 23 N -1.93 0.01 -0.35 1.47 2.13 -1.26 0.15 120.64 120.87 1lr1 n GLU 23 Ca -0.01 0.98 0.13 0.00 0.66 0.00 0.00 57.16 58.93 1lr1 n GLU 23 Cb 0.03 -2.44 0.32 0.00 0.27 0.00 0.00 31.44 29.63 1lr1 n GLU 23 CO 0.00 0.00 0.00 1.79 -0.41 0.00 0.00 177.13 178.51 1lr1 h THR 24 N 0.00 0.68 -0.29 6.31 1.35 -1.96 0.25 112.91 119.25 1lr1 h THR 24 Ca 0.49 -0.25 -0.09 0.00 -0.55 0.00 0.00 66.41 66.01 1lr1 h THR 24 Cb 2.85 -0.10 -0.01 0.00 -1.73 0.00 0.00 68.15 69.16 1lr1 h THR 24 CO -0.01 0.13 -0.16 0.17 -0.25 0.00 0.00 175.52 175.40 1lr1 h LEU 25 N 0.72 0.64 -2.41 3.87 8.10 0.11 0.43 115.31 126.77 1lr1 h LEU 25 Ca 0.58 -0.42 0.03 0.00 0.11 0.00 0.00 57.88 58.17 1lr1 h LEU 25 Cb 0.93 -0.18 -0.00 0.00 -0.44 0.00 0.00 40.66 40.97 1lr1 h LEU 25 CO -0.40 0.92 0.14 -0.08 -4.11 0.00 0.00 178.44 174.91 1lr1 h GLU 26 N 0.36 0.00 0.00 0.17 4.81 -0.73 3.68 114.58 122.87 1lr1 h GLU 26 Ca 0.06 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.24 1lr1 h GLU 26 Cb 0.69 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.06 1lr1 h GLU 26 CO 0.05 0.00 -0.38 1.49 -0.73 0.00 0.00 179.01 179.44 1lr1 h GLU 27 N 0.00 0.00 0.04 1.92 4.57 0.21 -3.30 114.58 118.02 1lr1 h GLU 27 Ca 0.04 0.00 -0.28 0.00 -1.18 0.00 0.00 59.36 57.94 1lr1 h GLU 27 Cb 0.32 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.88 1lr1 h GLU 27 CO -0.00 0.58 -1.53 -1.33 -1.18 0.00 0.00 179.01 175.55 1lr1 n MET 28 N -4.61 0.63 -0.32 1.92 2.81 0.14 -3.93 117.12 113.76 1lr1 n MET 28 Ca -0.12 0.47 -0.04 0.00 -1.81 0.00 0.00 57.70 56.20 1lr1 n MET 28 Cb 0.37 -1.73 0.08 0.00 -0.71 0.00 0.00 33.22 31.23 1lr1 n MET 28 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 1lr1 h LEU 29 N -0.65 1.05 -1.29 4.03 5.85 0.67 0.83 115.31 125.80 1lr1 h LEU 29 Ca -0.38 -0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.22 1lr1 h LEU 29 Cb 1.55 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 42.29 1lr1 h LEU 29 CO -0.12 0.83 0.11 -0.08 -0.34 0.00 0.00 178.44 178.84 1lr1 h GLU 30 N 1.19 0.60 0.00 1.25 4.81 -0.95 -0.27 114.58 121.20 1lr1 h GLU 30 Ca 0.31 -0.10 -0.17 0.00 -0.13 0.00 0.00 59.36 59.27 1lr1 h GLU 30 Cb -0.01 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.24 1lr1 h GLU 30 CO -0.05 0.54 -1.18 0.87 -0.73 0.00 0.00 179.01 178.46 1lr1 h LYS 31 N 0.59 0.00 0.00 1.92 1.79 -1.53 -2.81 116.57 116.53 1lr1 h LYS 31 Ca 0.14 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.56 1lr1 h LYS 31 Cb 0.20 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.85 1lr1 h LYS 31 CO -0.01 0.44 -0.23 1.25 -1.08 0.00 0.00 179.45 179.82 1lr1 h LEU 32 N 0.00 0.00 0.10 2.94 5.85 0.13 0.31 115.31 124.64 1lr1 h LEU 32 Ca -0.12 0.00 -0.32 0.00 0.84 0.00 0.00 57.88 58.28 1lr1 h LEU 32 Cb 1.61 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.62 1lr1 h LEU 32 CO 0.06 0.23 -1.65 1.05 -0.34 0.00 0.00 178.44 177.80 1lr1 h GLU 33 N 0.00 0.22 -0.24 1.25 -0.00 -1.08 -3.11 114.58 111.63 1lr1 h GLU 33 Ca -0.00 -0.38 -0.15 0.00 -0.00 0.00 0.00 59.36 58.83 1lr1 h GLU 33 Cb 0.66 0.14 -0.01 0.00 -0.00 0.00 0.00 28.75 29.55 1lr1 h GLU 33 CO 0.03 1.05 -0.46 -0.39 -0.00 0.00 0.00 179.01 179.25 1lr1 h VAL 34 N 0.06 1.30 0.08 -1.06 -1.51 -1.20 1.01 116.25 114.93 1lr1 h VAL 34 Ca -0.28 -1.65 -0.00 0.00 -1.23 0.00 0.00 66.70 63.53 1lr1 h VAL 34 Cb 2.02 1.62 0.00 0.00 -2.13 0.00 0.00 31.29 32.80 1lr1 h VAL 34 CO 0.14 0.52 -0.04 1.62 -1.23 0.00 0.00 177.57 178.58 1lr1 h VAL 35 N 0.49 0.92 0.00 7.19 3.04 -0.51 -1.13 116.25 126.25 1lr1 h VAL 35 Ca 0.03 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.72 1lr1 h VAL 35 Cb 0.99 0.92 0.00 0.00 -2.01 0.00 0.00 31.29 31.18 1lr1 h VAL 35 CO 0.09 0.00 0.00 1.62 -1.01 0.00 0.00 177.57 178.27 1lr1 h VAL 36 N -0.11 0.00 -0.27 1.51 3.04 -1.46 -3.00 116.25 115.97 1lr1 h VAL 36 Ca -0.01 -0.70 0.03 0.00 -1.01 0.00 0.00 66.70 65.01 1lr1 h VAL 36 Cb 0.09 1.68 -0.03 0.00 -2.01 0.00 0.00 31.29 31.02 1lr1 h VAL 36 CO 0.01 0.00 0.07 -1.13 -1.01 0.00 0.00 177.57 175.52 1lr1 h ASN 37 N 0.00 0.06 -0.38 3.17 -0.73 0.23 4.07 115.58 122.00 1lr1 h ASN 37 Ca 0.00 0.03 -0.08 0.00 1.87 0.00 0.00 56.30 58.12 1lr1 h ASN 37 Cb 0.74 0.03 -0.01 0.00 0.27 0.00 0.00 38.32 39.36 1lr1 h ASN 37 CO 0.00 0.07 -0.09 -0.33 -0.37 0.00 0.00 177.43 176.71 1lr1 h GLU 38 N 0.19 0.73 -0.04 6.67 5.08 -1.36 -2.43 114.58 123.43 1lr1 h GLU 38 Ca 0.12 -0.28 -0.10 0.00 -1.00 0.00 0.00 59.36 58.10 1lr1 h GLU 38 Cb 0.11 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1lr1 h GLU 38 CO -0.14 0.88 -0.44 0.00 -1.00 0.00 0.00 179.01 178.31 1lr1 h ARG 39 N 0.54 0.08 -0.39 2.33 -0.00 -1.23 0.40 114.38 116.11 1lr1 h ARG 39 Ca 0.10 -0.04 -0.06 0.00 -0.50 0.00 0.00 59.98 59.48 1lr1 h ARG 39 Cb 0.61 -0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.56 1lr1 h ARG 39 CO 0.04 0.51 0.02 0.00 0.00 0.00 0.00 179.97 180.54 1lr1 h ARG 40 N 0.07 0.68 0.00 0.04 2.47 0.81 0.38 114.38 118.82 1lr1 h ARG 40 Ca 0.00 -0.21 -0.21 0.00 -1.26 0.00 0.00 59.98 58.31 1lr1 h ARG 40 Cb 0.81 -0.07 -0.03 0.00 -1.65 0.00 0.00 29.97 29.03 1lr1 h ARG 40 CO 0.06 0.76 -1.15 1.05 0.56 0.00 0.00 179.97 181.25 1lr1 h GLU 41 N 0.51 0.00 0.17 0.04 4.11 -1.35 -3.27 114.58 114.79 1lr1 h GLU 41 Ca 0.11 0.00 -0.35 0.00 0.07 0.00 0.00 59.36 59.19 1lr1 h GLU 41 Cb 0.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1lr1 h GLU 41 CO 0.02 0.69 -1.81 0.93 0.07 0.00 0.00 179.01 178.91 1lr1 h GLU 42 N 0.00 0.36 -0.40 1.06 5.08 -0.89 -3.27 114.58 116.51 1lr1 h GLU 42 Ca -0.10 -0.61 -0.01 0.00 -1.00 0.00 0.00 59.36 57.63 1lr1 h GLU 42 Cb 1.75 0.23 -0.02 0.00 0.50 0.00 0.00 28.75 31.21 1lr1 h GLU 42 CO 0.10 1.29 0.20 0.93 -1.00 0.00 0.00 179.01 180.52 1lr1 h GLU 43 N 0.10 0.58 -0.62 2.33 4.39 -0.41 0.28 114.58 121.23 1lr1 h GLU 43 Ca -0.36 -0.08 0.10 0.00 0.34 0.00 0.00 59.36 59.35 1lr1 h GLU 43 Cb 2.08 -0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 30.59 1lr1 h GLU 43 CO 0.16 0.50 0.41 1.03 -1.16 0.00 0.00 179.01 179.95 1lr1 h SER 44 N 0.51 0.40 -0.25 1.42 0.87 -1.72 0.17 113.55 114.96 1lr1 h SER 44 Ca 0.14 0.01 -0.09 0.00 -1.23 0.00 0.00 61.79 60.62 1lr1 h SER 44 Cb 0.11 -0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 61.99 1lr1 h SER 44 CO -0.02 0.24 -0.19 0.00 -0.53 0.00 0.00 176.83 176.33 1lr1 h ALA 45 N 1.69 0.36 -0.83 6.23 0.00 -1.22 -2.48 119.26 123.00 1lr1 h ALA 45 Ca 0.28 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1lr1 h ALA 45 Cb 0.52 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 1lr1 h ALA 45 CO -0.08 0.28 0.41 0.00 0.00 0.00 0.00 179.25 179.86 1lr1 h ALA 46 N 0.69 1.15 -0.46 0.00 0.00 0.18 -0.56 119.26 120.26 1lr1 h ALA 46 Ca 0.05 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1lr1 h ALA 46 Cb 0.73 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1lr1 h ALA 46 CO 0.05 0.65 0.16 0.00 0.00 0.00 0.00 179.25 180.11 1lr1 h ALA 47 N 1.26 0.61 -0.48 0.00 0.00 -0.72 -0.65 119.26 119.27 1lr1 h ALA 47 Ca 0.29 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 1lr1 h ALA 47 Cb 0.10 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1lr1 h ALA 47 CO -0.04 0.24 -0.08 0.00 0.00 0.00 0.00 179.25 179.37 1lr1 h ALA 48 N 1.01 0.66 -0.14 0.00 0.00 -1.15 -1.05 119.26 118.59 1lr1 h ALA 48 Ca 0.15 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1lr1 h ALA 48 Cb 0.24 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1lr1 h ALA 48 CO -0.01 0.53 0.05 1.49 0.00 0.00 0.00 179.25 181.32 1lr1 h GLU 49 N 0.75 0.21 -0.51 0.00 4.57 -0.95 -3.06 114.58 115.60 1lr1 h GLU 49 Ca 0.13 -0.04 -0.09 0.00 -1.18 0.00 0.00 59.36 58.17 1lr1 h GLU 49 Cb 0.62 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.16 1lr1 h GLU 49 CO 0.04 0.32 -0.05 -0.39 -1.18 0.00 0.00 179.01 177.74 1lr1 h VAL 50 N 0.06 1.26 0.00 0.32 -1.51 -1.10 -3.47 116.25 111.81 1lr1 h VAL 50 Ca 0.05 -1.15 0.00 0.00 -1.23 0.00 0.00 66.70 64.37 1lr1 h VAL 50 Cb 0.19 0.92 0.00 0.00 -2.13 0.00 0.00 31.29 30.27 1lr1 h VAL 50 CO -0.00 0.41 0.00 1.21 -1.23 0.00 0.00 177.57 177.95 1lr1 n GLU 51 N -4.17 0.00 0.00 5.19 2.13 -0.40 -4.41 120.64 118.98 1lr1 n GLU 51 Ca 0.02 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.84 1lr1 n GLU 51 Cb 0.35 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.06 1lr1 n GLU 51 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1lr1 n GLU 52 N 3.35 0.00 -0.03 5.31 4.07 -1.26 -4.97 120.64 127.11 1lr1 n GLU 52 Ca 0.00 0.00 -0.12 0.00 -0.06 0.00 0.00 57.16 56.98 1lr1 n GLU 52 Cb 0.00 0.00 -0.07 0.00 -0.06 0.00 0.00 31.44 31.31 1lr1 n GLU 52 CO 0.00 0.00 0.00 -0.09 -0.06 0.00 0.00 177.13 176.98 1lr1 h ARG 53 N 0.00 0.18 -6.79 5.31 2.43 -2.00 -3.43 114.38 110.08 1lr1 h ARG 53 Ca 0.00 -0.05 -0.52 0.00 -0.81 0.00 0.00 59.98 58.60 1lr1 h ARG 53 Cb 0.00 -0.02 0.05 0.00 -0.42 0.00 0.00 29.97 29.58 1lr1 h ARG 53 CO 0.00 0.39 0.67 0.95 -1.51 0.00 0.00 179.97 180.47 1lr1 s THR 54 N -5.16 2.85 0.00 0.20 -4.23 -1.26 -4.70 115.64 103.34 1lr1 s THR 54 Ca -0.14 0.77 0.00 0.00 -1.18 0.00 0.00 61.69 61.14 1lr1 s THR 54 Cb 0.05 -3.49 0.00 0.00 1.34 0.00 0.00 72.50 70.40 1lr1 s THR 54 CO 0.70 0.15 0.00 -2.11 -0.54 0.00 0.00 174.62 172.82 1lr1 n ARG 55 N 1.69 0.00 -3.67 3.99 1.85 -1.26 -4.87 116.66 114.37 1lr1 n ARG 55 Ca 0.03 0.00 -0.24 0.00 -1.00 0.00 0.00 57.85 56.64 1lr1 n ARG 55 Cb 0.42 0.00 0.06 0.00 -1.05 0.00 0.00 32.46 31.88 1lr1 n ARG 55 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1lr1 n LYS 56 N -1.11 -6.47 -0.46 2.89 5.02 -1.26 -5.25 118.16 111.52 1lr1 n LYS 56 Ca 0.00 0.73 0.00 0.00 -2.02 0.00 0.00 58.31 57.02 1lr1 n LYS 56 Cb 0.00 -5.64 0.00 0.00 -0.02 0.00 0.00 35.03 29.37 1lr1 n LYS 56 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77