#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 0.00 0.00 -1.46 4.81 -2.04 -1.54 114.58 114.35 1lr1 h GLU 2 Ca 0.00 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.18 1lr1 h GLU 2 Cb 0.00 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1lr1 h GLU 2 CO 0.00 0.62 -0.23 0.00 -0.73 0.00 0.00 179.01 178.66 1lr1 h ALA 3 N 1.38 0.92 0.13 2.92 0.00 -1.99 0.46 119.26 123.09 1lr1 h ALA 3 Ca -0.01 -0.21 -0.21 0.00 0.00 0.00 0.00 54.91 54.48 1lr1 h ALA 3 Cb 1.12 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.89 1lr1 h ALA 3 CO 0.08 0.29 -0.99 -0.07 0.00 0.00 0.00 179.25 178.56 1lr1 h LEU 4 N 0.00 0.43 0.00 0.00 4.07 -1.93 -3.35 115.31 114.53 1lr1 h LEU 4 Ca -0.00 -0.92 -0.08 0.00 0.08 0.00 0.00 57.88 56.96 1lr1 h LEU 4 Cb 0.94 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 42.53 1lr1 h LEU 4 CO 0.03 1.46 -0.58 0.50 -1.08 0.00 0.00 178.44 178.77 1lr1 h LYS 5 N -0.37 0.00 -0.30 1.13 1.63 -1.26 0.12 116.57 117.51 1lr1 h LYS 5 Ca -0.19 0.00 0.05 0.00 -0.85 0.00 0.00 60.65 59.66 1lr1 h LYS 5 Cb 1.67 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 33.25 1lr1 h LYS 5 CO 0.12 0.29 -0.02 0.97 -3.45 0.00 0.00 179.45 177.36 1lr1 h ILE 6 N 0.00 0.76 0.00 2.00 -0.00 -0.20 -2.30 117.51 117.76 1lr1 h ILE 6 Ca -0.03 -0.02 0.00 0.00 -0.00 0.00 0.00 64.86 64.81 1lr1 h ILE 6 Cb 1.28 0.69 0.00 0.00 -0.00 0.00 0.00 36.82 38.79 1lr1 h ILE 6 CO 0.04 0.01 -1.10 0.00 -0.00 0.00 0.00 178.15 177.10 1lr1 n LEU 7 N -5.19 0.87 -1.66 2.19 -0.00 -1.25 -4.84 117.00 107.12 1lr1 n LEU 7 Ca 0.00 -0.44 -0.15 0.00 -0.00 0.00 0.00 56.01 55.42 1lr1 n LEU 7 Cb 0.16 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.57 1lr1 n LEU 7 CO 0.22 0.22 -0.19 0.59 -0.00 0.00 0.00 177.39 178.23 1lr1 n ASN 8 N -1.58 -4.58 -1.79 1.45 3.02 0.19 -4.57 115.26 107.40 1lr1 n ASN 8 Ca 0.03 0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.61 1lr1 n ASN 8 Cb 0.35 -3.69 0.00 0.00 -0.61 0.00 0.00 39.78 35.83 1lr1 n ASN 8 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1lr1 n ASN 9 N -0.83 -9.08 0.27 6.41 5.03 0.04 -4.40 115.26 112.70 1lr1 n ASN 9 Ca -0.18 1.28 0.11 0.00 0.87 0.00 0.00 54.58 56.66 1lr1 n ASN 9 Cb 0.62 -4.77 0.72 0.00 -1.02 0.00 0.00 39.78 35.33 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 2.97 0.80 -0.48 2.41 -2.65 -1.91 -2.38 117.51 116.26 1lr1 h ILE 10 Ca 0.00 -0.21 0.10 0.00 1.03 0.00 0.00 64.86 65.77 1lr1 h ILE 10 Cb 0.00 1.12 -0.10 0.00 -2.05 0.00 0.00 36.82 35.80 1lr1 h ILE 10 CO 0.00 0.06 -0.16 0.08 0.03 0.00 0.00 178.15 178.16 1lr1 h ARG 11 N 0.00 -0.05 0.08 0.16 0.11 -1.96 0.27 114.38 112.99 1lr1 h ARG 11 Ca -0.00 0.00 -0.28 0.00 0.10 0.00 0.00 59.98 59.80 1lr1 h ARG 11 Cb 0.12 0.01 -0.01 0.00 1.11 0.00 0.00 29.97 31.19 1lr1 h ARG 11 CO 0.01 -0.03 -1.40 1.15 0.10 0.00 0.00 179.97 179.80 1lr1 h THR 12 N -0.05 1.29 0.73 0.08 2.02 -1.73 -3.37 112.91 111.87 1lr1 h THR 12 Ca 0.23 -2.96 -0.04 0.00 0.77 0.00 0.00 66.41 64.42 1lr1 h THR 12 Cb 0.40 2.77 0.01 0.00 -1.74 0.00 0.00 68.15 69.59 1lr1 h THR 12 CO -0.52 0.82 -0.35 0.25 0.37 0.00 0.00 175.52 176.09 1lr1 h LEU 13 N 0.05 -0.83 -1.53 2.58 5.85 -0.88 -0.14 115.31 120.41 1lr1 h LEU 13 Ca -0.18 0.03 0.22 0.00 0.84 0.00 0.00 57.88 58.79 1lr1 h LEU 13 Cb 1.96 0.21 -0.03 0.00 0.37 0.00 0.00 40.66 43.17 1lr1 h LEU 13 CO 0.15 -0.53 0.86 0.08 -0.34 0.00 0.00 178.44 178.66 1lr1 h ARG 14 N -1.11 0.00 0.01 1.25 -0.00 -0.68 0.53 114.38 114.38 1lr1 h ARG 14 Ca -0.10 0.00 -0.19 0.00 -0.00 0.00 0.00 59.98 59.69 1lr1 h ARG 14 Cb 0.75 0.00 -0.03 0.00 -0.00 0.00 0.00 29.97 30.70 1lr1 h ARG 14 CO 0.16 0.00 -1.00 0.00 -0.00 0.00 0.00 179.97 179.13 1lr1 h ALA 15 N 1.01 0.21 -0.54 0.08 0.00 -1.68 -1.28 119.26 117.06 1lr1 h ALA 15 Ca 0.37 -1.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.18 1lr1 h ALA 15 Cb 2.08 0.57 -0.03 0.00 0.00 0.00 0.00 17.79 20.42 1lr1 h ALA 15 CO -0.00 0.57 0.17 -0.56 0.00 0.00 0.00 179.25 179.43 1lr1 h GLN 16 N -0.95 0.79 0.00 0.00 3.07 0.99 -1.79 115.11 117.23 1lr1 h GLN 16 Ca -0.27 -0.14 0.00 0.00 0.09 0.00 0.00 58.65 58.33 1lr1 h GLN 16 Cb 1.27 -0.13 0.00 0.00 0.08 0.00 0.00 27.48 28.70 1lr1 h GLN 16 CO -0.15 0.68 -0.61 0.00 0.09 0.00 0.00 178.83 178.85 1lr1 h ALA 17 N 1.42 0.69 -1.62 0.06 0.00 -0.23 -3.34 119.26 116.24 1lr1 h ALA 17 Ca 0.18 0.00 0.47 0.00 0.00 0.00 0.00 54.91 55.56 1lr1 h ALA 17 Cb 0.22 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.94 1lr1 h ALA 17 CO -0.01 0.00 1.16 -0.09 0.00 0.00 0.00 179.25 180.31 1lr1 h ARG 18 N 0.00 0.01 -1.10 0.00 9.65 -0.30 1.35 114.38 123.99 1lr1 h ARG 18 Ca 0.00 -0.00 -0.52 0.00 -1.10 0.00 0.00 59.98 58.36 1lr1 h ARG 18 Cb 0.98 -0.00 -0.25 0.00 -1.39 0.00 0.00 29.97 29.30 1lr1 h ARG 18 CO 0.00 0.01 0.67 -0.85 2.80 0.00 0.00 179.97 182.59 1lr1 n GLU 19 N -4.09 2.28 -0.66 0.20 0.28 -1.25 -4.94 120.64 112.46 1lr1 n GLU 19 Ca 0.36 -2.68 0.00 0.00 -0.16 0.00 0.00 57.16 54.69 1lr1 n GLU 19 Cb 1.67 -2.05 0.00 0.00 1.43 0.00 0.00 31.44 32.49 1lr1 n GLU 19 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 1lr1 n SER 20 N -0.68 0.00 -4.88 -1.84 7.64 0.46 -5.16 113.62 109.16 1lr1 n SER 20 Ca 0.52 -0.54 -0.30 0.00 1.01 0.00 0.00 58.87 59.56 1lr1 n SER 20 Cb 0.97 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 64.15 1lr1 n SER 20 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1lr1 s THR 21 N -2.78 4.85 -0.41 0.44 2.01 -1.26 -4.95 115.64 113.54 1lr1 s THR 21 Ca 0.00 0.45 0.18 0.00 0.31 0.00 0.00 61.69 62.63 1lr1 s THR 21 Cb 0.00 -3.75 0.18 0.00 0.01 0.00 0.00 72.50 68.94 1lr1 s THR 21 CO 0.00 -0.51 1.55 0.00 -0.69 0.00 0.00 174.62 174.97 1lr1 n LEU 22 N -1.32 0.46 -0.21 4.42 -0.00 -1.26 -3.16 117.00 115.93 1lr1 n LEU 22 Ca 0.01 0.69 0.28 0.00 -0.00 0.00 0.00 56.01 56.99 1lr1 n LEU 22 Cb 0.54 -0.73 0.42 0.00 -0.00 0.00 0.00 43.42 43.66 1lr1 n LEU 22 CO 0.48 -0.79 1.24 -1.84 -0.00 0.00 0.00 177.39 176.48 1lr1 n GLU 23 N -2.10 0.01 -0.29 1.47 0.28 -1.26 0.14 120.64 118.90 1lr1 n GLU 23 Ca -0.00 1.01 0.16 0.00 -0.16 0.00 0.00 57.16 58.16 1lr1 n GLU 23 Cb 0.06 -2.50 0.43 0.00 1.43 0.00 0.00 31.44 30.86 1lr1 n GLU 23 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 177.13 178.12 1lr1 h THR 24 N 0.00 0.70 -0.13 3.84 2.02 -1.97 0.10 112.91 117.48 1lr1 h THR 24 Ca 0.49 -0.19 -0.12 0.00 0.77 0.00 0.00 66.41 67.35 1lr1 h THR 24 Cb 2.90 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 69.40 1lr1 h THR 24 CO -0.01 0.10 -0.40 0.17 0.37 0.00 0.00 175.52 175.76 1lr1 h LEU 25 N 0.57 0.58 -2.82 2.58 8.10 0.90 0.41 115.31 125.63 1lr1 h LEU 25 Ca 0.51 -0.60 0.00 0.00 0.11 0.00 0.00 57.88 57.90 1lr1 h LEU 25 Cb 1.04 -0.17 -0.00 0.00 -0.44 0.00 0.00 40.66 41.09 1lr1 h LEU 25 CO -0.25 1.08 0.03 1.05 -4.11 0.00 0.00 178.44 176.24 1lr1 h GLU 26 N 0.11 0.00 0.00 0.17 -0.00 -1.09 3.09 114.58 116.86 1lr1 h GLU 26 Ca -0.01 0.00 -0.04 0.00 -0.00 0.00 0.00 59.36 59.31 1lr1 h GLU 26 Cb 1.03 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.77 1lr1 h GLU 26 CO 0.09 0.00 -0.32 1.49 -0.00 0.00 0.00 179.01 180.27 1lr1 h GLU 27 N 0.00 0.00 0.03 1.06 4.57 -0.41 -3.32 114.58 116.50 1lr1 h GLU 27 Ca 0.00 0.00 -0.26 0.00 -1.18 0.00 0.00 59.36 57.92 1lr1 h GLU 27 Cb 0.06 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.62 1lr1 h GLU 27 CO -0.00 0.37 -1.40 0.52 -1.18 0.00 0.00 179.01 177.32 1lr1 h MET 28 N -1.00 0.06 -0.01 1.92 2.86 0.47 -3.33 114.93 115.90 1lr1 h MET 28 Ca -0.05 -0.11 0.00 0.00 -2.06 0.00 0.00 59.70 57.48 1lr1 h MET 28 Cb 0.54 0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.24 1lr1 h MET 28 CO -0.03 1.05 0.02 1.25 1.06 0.00 0.00 176.91 180.26 1lr1 h LEU 29 N -0.76 0.00 -0.01 1.22 5.85 0.54 0.63 115.31 122.77 1lr1 h LEU 29 Ca -0.36 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.13 1lr1 h LEU 29 Cb 1.46 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.48 1lr1 h LEU 29 CO -0.14 0.00 -1.06 -0.08 -0.34 0.00 0.00 178.44 176.82 1lr1 h GLU 30 N 0.00 0.11 0.00 1.25 4.81 -1.22 -2.88 114.58 116.65 1lr1 h GLU 30 Ca 0.01 -0.18 -0.24 0.00 -0.13 0.00 0.00 59.36 58.82 1lr1 h GLU 30 Cb 0.05 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.46 1lr1 h GLU 30 CO -0.00 1.06 -1.40 0.87 -0.73 0.00 0.00 179.01 178.81 1lr1 h LYS 31 N 0.04 0.00 0.00 1.92 1.79 -1.07 -3.02 116.57 116.23 1lr1 h LYS 31 Ca -0.05 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.37 1lr1 h LYS 31 Cb 1.79 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 32.43 1lr1 h LYS 31 CO 0.15 0.57 -0.21 1.25 -1.08 0.00 0.00 179.45 180.13 1lr1 h LEU 32 N 0.00 0.00 0.09 2.94 5.85 0.09 0.23 115.31 124.52 1lr1 h LEU 32 Ca -0.18 0.00 -0.29 0.00 0.84 0.00 0.00 57.88 58.25 1lr1 h LEU 32 Cb 1.83 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.85 1lr1 h LEU 32 CO 0.08 0.21 -1.50 1.05 -0.34 0.00 0.00 178.44 177.95 1lr1 h GLU 33 N 0.00 0.20 -0.18 1.25 4.11 -1.55 -3.19 114.58 115.22 1lr1 h GLU 33 Ca -0.00 -0.34 -0.17 0.00 0.07 0.00 0.00 59.36 58.92 1lr1 h GLU 33 Cb 0.61 0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.98 1lr1 h GLU 33 CO 0.03 1.04 -0.60 -0.39 0.07 0.00 0.00 179.01 179.16 1lr1 h VAL 34 N 0.05 1.32 -0.25 -1.06 -1.51 -1.31 1.52 116.25 115.02 1lr1 h VAL 34 Ca -0.22 -1.86 0.04 0.00 -1.23 0.00 0.00 66.70 63.43 1lr1 h VAL 34 Cb 1.99 1.82 -0.04 0.00 -2.13 0.00 0.00 31.29 32.93 1lr1 h VAL 34 CO 0.15 0.58 -0.01 -0.37 -1.23 0.00 0.00 177.57 176.69 1lr1 h VAL 35 N 0.45 0.82 0.00 7.19 -1.51 -0.65 -0.88 116.25 121.67 1lr1 h VAL 35 Ca -0.00 -0.02 0.00 0.00 -1.23 0.00 0.00 66.70 65.44 1lr1 h VAL 35 Cb 1.17 0.74 0.00 0.00 -2.13 0.00 0.00 31.29 31.07 1lr1 h VAL 35 CO 0.12 0.01 -0.16 1.62 -1.23 0.00 0.00 177.57 177.93 1lr1 h VAL 36 N 0.07 0.00 -0.84 7.19 3.04 -1.51 -3.09 116.25 121.11 1lr1 h VAL 36 Ca 0.12 -0.82 0.02 0.00 -1.01 0.00 0.00 66.70 65.01 1lr1 h VAL 36 Cb 0.15 1.74 -0.05 0.00 -2.01 0.00 0.00 31.29 31.12 1lr1 h VAL 36 CO -0.20 0.00 0.54 -1.13 -1.01 0.00 0.00 177.57 175.77 1lr1 h ASN 37 N 0.00 0.92 -0.10 3.17 -1.24 0.36 3.55 115.58 122.24 1lr1 h ASN 37 Ca 0.00 -0.01 -0.17 0.00 0.71 0.00 0.00 56.30 56.83 1lr1 h ASN 37 Cb 0.91 -0.21 0.01 0.00 0.73 0.00 0.00 38.32 39.76 1lr1 h ASN 37 CO 0.00 0.64 -0.60 -0.33 -1.29 0.00 0.00 177.43 175.86 1lr1 h GLU 38 N 1.08 0.58 -0.10 6.67 5.08 -1.44 -2.91 114.58 123.54 1lr1 h GLU 38 Ca 0.33 -0.49 -0.10 0.00 -1.00 0.00 0.00 59.36 58.09 1lr1 h GLU 38 Cb -0.04 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1lr1 h GLU 38 CO -0.10 1.12 -0.40 0.00 -1.00 0.00 0.00 179.01 178.62 1lr1 h ARG 39 N 0.21 0.22 -0.37 2.33 -0.00 -1.30 0.31 114.38 115.78 1lr1 h ARG 39 Ca -0.05 -0.10 -0.04 0.00 -0.50 0.00 0.00 59.98 59.30 1lr1 h ARG 39 Cb 1.24 -0.00 -0.02 0.00 0.00 0.00 0.00 29.97 31.19 1lr1 h ARG 39 CO 0.12 0.59 0.09 0.00 0.00 0.00 0.00 179.97 180.78 1lr1 h ARG 40 N 0.19 0.59 0.00 0.04 2.47 0.67 0.42 114.38 118.76 1lr1 h ARG 40 Ca 0.02 -0.14 -0.20 0.00 -1.26 0.00 0.00 59.98 58.40 1lr1 h ARG 40 Cb 0.80 -0.08 -0.03 0.00 -1.65 0.00 0.00 29.97 29.01 1lr1 h ARG 40 CO 0.06 0.62 -1.19 0.93 0.56 0.00 0.00 179.97 180.95 1lr1 h GLU 41 N 0.45 0.00 0.22 0.04 5.08 -1.43 -3.29 114.58 115.65 1lr1 h GLU 41 Ca 0.12 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.13 1lr1 h GLU 41 Cb 0.30 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.57 1lr1 h GLU 41 CO 0.00 0.56 -1.59 1.49 -1.00 0.00 0.00 179.01 178.47 1lr1 h GLU 42 N 0.00 0.47 -0.14 2.33 4.57 -0.32 -3.17 114.58 118.31 1lr1 h GLU 42 Ca -0.12 -0.80 0.00 0.00 -1.18 0.00 0.00 59.36 57.26 1lr1 h GLU 42 Cb 1.69 0.30 -0.01 0.00 -0.16 0.00 0.00 28.75 30.58 1lr1 h GLU 42 CO 0.08 1.38 0.09 0.93 -1.18 0.00 0.00 179.01 180.31 1lr1 h GLU 43 N 0.13 0.19 -0.58 1.92 4.39 -0.31 0.64 114.58 120.96 1lr1 h GLU 43 Ca -0.29 -0.01 0.10 0.00 0.34 0.00 0.00 59.36 59.50 1lr1 h GLU 43 Cb 2.14 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 30.71 1lr1 h GLU 43 CO 0.23 0.13 0.39 0.66 -1.16 0.00 0.00 179.01 179.26 1lr1 h SER 44 N 0.19 0.33 -0.26 1.42 4.64 -1.70 0.21 113.55 118.38 1lr1 h SER 44 Ca 0.05 0.01 -0.19 0.00 -0.47 0.00 0.00 61.79 61.19 1lr1 h SER 44 Cb -0.02 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 1lr1 h SER 44 CO -0.01 0.20 -0.59 0.00 -0.87 0.00 0.00 176.83 175.55 1lr1 h ALA 45 N 1.71 0.44 -0.76 5.18 0.00 -1.07 -2.92 119.26 121.83 1lr1 h ALA 45 Ca 0.27 -0.53 -0.05 0.00 0.00 0.00 0.00 54.91 54.60 1lr1 h ALA 45 Cb 0.56 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1lr1 h ALA 45 CO -0.07 0.68 0.29 0.00 0.00 0.00 0.00 179.25 180.15 1lr1 h ALA 46 N 0.66 1.07 -0.75 0.00 0.00 0.32 0.18 119.26 120.74 1lr1 h ALA 46 Ca 0.00 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 1lr1 h ALA 46 Cb 1.21 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 1lr1 h ALA 46 CO 0.13 0.65 0.25 0.00 0.00 0.00 0.00 179.25 180.28 1lr1 h ALA 47 N 1.20 0.98 0.06 0.00 0.00 -0.92 -0.31 119.26 120.26 1lr1 h ALA 47 Ca 0.25 -0.22 -0.25 0.00 0.00 0.00 0.00 54.91 54.69 1lr1 h ALA 47 Cb 0.23 -0.29 0.02 0.00 0.00 0.00 0.00 17.79 17.76 1lr1 h ALA 47 CO -0.02 0.65 -1.01 0.00 0.00 0.00 0.00 179.25 178.87 1lr1 h ALA 48 N 1.13 0.05 -0.40 0.00 0.00 -1.29 -3.28 119.26 115.45 1lr1 h ALA 48 Ca 0.24 -0.70 -0.05 0.00 0.00 0.00 0.00 54.91 54.40 1lr1 h ALA 48 Cb 0.29 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1lr1 h ALA 48 CO -0.01 0.59 0.04 1.49 0.00 0.00 0.00 179.25 181.36 1lr1 h GLU 49 N 0.19 0.69 -0.53 0.00 4.57 -0.58 -3.17 114.58 115.75 1lr1 h GLU 49 Ca -0.14 -0.20 0.07 0.00 -1.18 0.00 0.00 59.36 57.90 1lr1 h GLU 49 Cb 1.70 -0.07 -0.06 0.00 -0.16 0.00 0.00 28.75 30.16 1lr1 h GLU 49 CO 0.20 0.75 0.21 -0.24 -1.18 0.00 0.00 179.01 178.75 1lr1 h VAL 50 N 0.53 0.86 -2.42 0.32 3.04 -1.17 -3.43 116.25 113.98 1lr1 h VAL 50 Ca 0.12 -0.14 -0.07 0.00 -1.01 0.00 0.00 66.70 65.60 1lr1 h VAL 50 Cb 0.42 0.41 -0.24 0.00 -2.01 0.00 0.00 31.29 29.86 1lr1 h VAL 50 CO 0.01 0.08 -0.16 -1.61 -1.01 0.00 0.00 177.57 174.88 1lr1 s GLU 51 N -6.12 0.53 -0.05 4.17 0.41 -1.20 -5.00 118.70 111.44 1lr1 s GLU 51 Ca -0.13 0.91 -0.20 0.00 -0.41 0.00 0.00 54.97 55.14 1lr1 s GLU 51 Cb 0.15 0.09 -0.31 0.00 -1.78 0.00 0.00 34.13 32.28 1lr1 s GLU 51 CO 0.73 -0.14 0.85 0.93 -0.49 0.00 0.00 175.26 177.15 1lr1 h GLU 52 N 6.71 0.32 0.00 1.61 5.08 -1.84 -3.41 114.58 123.05 1lr1 h GLU 52 Ca -0.33 -0.54 0.00 0.00 -1.00 0.00 0.00 59.36 57.49 1lr1 h GLU 52 Cb 1.20 0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.65 1lr1 h GLU 52 CO 0.23 1.26 0.00 -2.13 -1.00 0.00 0.00 179.01 177.37 1lr1 n ARG 53 N -4.05 0.00 -3.11 2.33 3.00 -1.26 -5.08 116.66 108.49 1lr1 n ARG 53 Ca -0.16 0.00 -0.39 0.00 -0.00 0.00 0.00 57.85 57.30 1lr1 n ARG 53 Cb 0.87 0.00 -0.05 0.00 0.00 0.00 0.00 32.46 33.28 1lr1 n ARG 53 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.63 177.55 1lr1 s THR 54 N -1.53 4.94 0.25 5.15 -1.32 -1.26 -5.04 115.64 116.83 1lr1 s THR 54 Ca 0.00 1.37 -0.30 0.00 -1.21 0.00 0.00 61.69 61.55 1lr1 s THR 54 Cb 0.00 -4.00 -0.09 0.00 -1.51 0.00 0.00 72.50 66.90 1lr1 s THR 54 CO 0.00 0.34 1.26 0.00 -2.21 0.00 0.00 174.62 174.01 1lr1 s ARG 55 N 0.23 4.44 0.10 7.08 3.03 -1.26 -4.95 118.95 127.63 1lr1 s ARG 55 Ca 0.34 2.03 -0.19 0.00 2.03 0.00 0.00 55.73 59.95 1lr1 s ARG 55 Cb -0.18 -3.17 -0.06 0.00 -1.03 0.00 0.00 34.95 30.51 1lr1 s ARG 55 CO 0.18 -0.13 1.63 0.87 -1.13 0.00 0.00 175.30 176.72 1lr1 h LYS 56 N 4.55 0.40 0.00 3.89 1.57 -1.96 -3.53 116.57 121.49 1lr1 h LYS 56 Ca -0.46 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.24 1lr1 h LYS 56 Cb 1.22 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.47 1lr1 h LYS 56 CO 0.72 0.45 0.00 -0.11 -0.57 0.00 0.00 179.45 179.94