#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lr1 n GLU 2 N 0.00 0.20 0.21 -1.46 0.28 -1.26 -2.07 120.64 116.53 1lr1 n GLU 2 Ca 0.00 0.40 0.08 0.00 -0.16 0.00 0.00 57.16 57.49 1lr1 n GLU 2 Cb 0.00 -1.86 0.37 0.00 1.43 0.00 0.00 31.44 31.38 1lr1 n GLU 2 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1lr1 h ALA 3 N 2.29 0.97 0.15 -1.84 0.00 -2.00 0.81 119.26 119.64 1lr1 h ALA 3 Ca 0.00 -0.26 -0.26 0.00 0.00 0.00 0.00 54.91 54.39 1lr1 h ALA 3 Cb 0.39 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.15 1lr1 h ALA 3 CO 0.00 0.35 -1.26 -0.07 0.00 0.00 0.00 179.25 178.27 1lr1 h LEU 4 N 0.00 0.50 0.00 0.00 4.07 -1.86 -3.36 115.31 114.66 1lr1 h LEU 4 Ca -0.00 -0.90 -0.10 0.00 0.08 0.00 0.00 57.88 56.95 1lr1 h LEU 4 Cb 0.86 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 42.43 1lr1 h LEU 4 CO 0.04 1.58 -0.76 0.50 -1.08 0.00 0.00 178.44 178.71 1lr1 h LYS 5 N -0.22 0.00 -0.12 1.13 3.11 -1.48 0.04 116.57 119.02 1lr1 h LYS 5 Ca -0.25 0.00 0.05 0.00 -2.81 0.00 0.00 60.65 57.64 1lr1 h LYS 5 Cb 1.81 0.00 -0.05 0.00 -1.00 0.00 0.00 32.23 32.99 1lr1 h LYS 5 CO 0.13 0.33 -0.21 0.97 -2.81 0.00 0.00 179.45 177.85 1lr1 h ILE 6 N 0.00 0.47 0.00 2.00 -0.00 0.51 -0.59 117.51 119.90 1lr1 h ILE 6 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.81 1lr1 h ILE 6 Cb 1.35 0.47 0.00 0.00 -0.00 0.00 0.00 36.82 38.64 1lr1 h ILE 6 CO 0.04 0.00 -0.66 0.00 -0.00 0.00 0.00 178.15 177.53 1lr1 n LEU 7 N -5.35 0.60 -2.91 2.19 -0.00 -1.26 -4.93 117.00 105.35 1lr1 n LEU 7 Ca -0.03 -0.02 -0.21 0.00 -0.00 0.00 0.00 56.01 55.75 1lr1 n LEU 7 Cb 0.26 -0.19 0.04 0.00 -0.00 0.00 0.00 43.42 43.54 1lr1 n LEU 7 CO 0.19 0.10 0.03 -3.20 -0.00 0.00 0.00 177.39 174.51 1lr1 n ASN 8 N -1.67 -5.91 -2.00 1.45 4.05 -0.23 -4.54 115.26 106.41 1lr1 n ASN 8 Ca 0.04 -0.30 0.00 0.00 0.45 0.00 0.00 54.58 54.78 1lr1 n ASN 8 Cb 0.37 -4.71 0.00 0.00 1.23 0.00 0.00 39.78 36.67 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 -2.31 -9.62 0.04 1.20 5.03 -0.14 -3.86 115.26 105.60 1lr1 n ASN 9 Ca -0.09 1.42 0.19 0.00 0.87 0.00 0.00 54.58 56.96 1lr1 n ASN 9 Cb 0.61 -5.29 0.70 0.00 -1.02 0.00 0.00 39.78 34.77 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 3.55 0.73 -0.06 2.41 -2.65 -1.91 -0.01 117.51 119.57 1lr1 h ILE 10 Ca 0.00 0.00 0.00 0.00 1.03 0.00 0.00 64.86 65.89 1lr1 h ILE 10 Cb 0.00 0.76 -0.00 0.00 -2.05 0.00 0.00 36.82 35.53 1lr1 h ILE 10 CO 0.00 0.00 0.04 0.08 0.03 0.00 0.00 178.15 178.30 1lr1 h ARG 11 N 0.00 0.08 -0.03 0.16 0.11 -1.95 0.19 114.38 112.94 1lr1 h ARG 11 Ca 0.22 -0.01 -0.25 0.00 0.10 0.00 0.00 59.98 60.05 1lr1 h ARG 11 Cb 0.90 -0.02 0.01 0.00 1.11 0.00 0.00 29.97 31.97 1lr1 h ARG 11 CO -0.00 0.08 -0.96 1.15 0.10 0.00 0.00 179.97 180.34 1lr1 h THR 12 N 0.05 1.31 0.33 0.08 2.02 -1.46 -3.30 112.91 111.94 1lr1 h THR 12 Ca 0.02 -2.24 -0.02 0.00 0.77 0.00 0.00 66.41 64.94 1lr1 h THR 12 Cb 0.02 2.31 0.00 0.00 -1.74 0.00 0.00 68.15 68.74 1lr1 h THR 12 CO -0.00 0.69 -0.16 0.25 0.37 0.00 0.00 175.52 176.67 1lr1 h LEU 13 N 0.38 -0.38 -1.79 2.58 6.46 -0.94 -1.17 115.31 120.45 1lr1 h LEU 13 Ca -0.10 -0.07 0.37 0.00 -0.12 0.00 0.00 57.88 57.96 1lr1 h LEU 13 Cb 1.60 0.10 -0.07 0.00 -0.73 0.00 0.00 40.66 41.56 1lr1 h LEU 13 CO 0.18 -0.16 0.89 -0.09 -0.62 0.00 0.00 178.44 178.65 1lr1 h ARG 14 N -0.58 0.09 0.00 1.25 2.43 -0.72 0.72 114.38 117.57 1lr1 h ARG 14 Ca -0.05 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.03 1lr1 h ARG 14 Cb 0.43 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 1lr1 h ARG 14 CO 0.07 0.06 -0.46 0.00 -1.51 0.00 0.00 179.97 178.13 1lr1 h ALA 15 N 1.42 0.10 -0.15 2.80 0.00 -1.56 -0.12 119.26 121.73 1lr1 h ALA 15 Ca 0.65 -0.76 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1lr1 h ALA 15 Cb 2.35 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 20.40 1lr1 h ALA 15 CO -0.12 0.26 -0.14 -0.56 0.00 0.00 0.00 179.25 178.69 1lr1 h GLN 16 N -0.99 0.25 0.00 0.00 3.07 0.05 -1.82 115.11 115.66 1lr1 h GLN 16 Ca -0.13 -0.06 -0.11 0.00 0.09 0.00 0.00 58.65 58.44 1lr1 h GLN 16 Cb 1.12 -0.03 -0.02 0.00 0.08 0.00 0.00 27.48 28.63 1lr1 h GLN 16 CO -0.07 0.40 -0.94 0.00 0.09 0.00 0.00 178.83 178.30 1lr1 h ALA 17 N 1.63 0.66 -1.61 0.06 0.00 0.26 -3.33 119.26 116.92 1lr1 h ALA 17 Ca 0.05 -0.52 0.48 0.00 0.00 0.00 0.00 54.91 54.91 1lr1 h ALA 17 Cb 0.40 0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.20 1lr1 h ALA 17 CO 0.02 0.62 1.14 -0.09 0.00 0.00 0.00 179.25 180.93 1lr1 h ARG 18 N 0.00 0.03 -0.99 0.00 9.65 -0.10 1.35 114.38 124.32 1lr1 h ARG 18 Ca -0.07 -0.00 -0.07 0.00 -1.10 0.00 0.00 59.98 58.74 1lr1 h ARG 18 Cb 1.39 -0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 29.92 1lr1 h ARG 18 CO 0.04 0.02 0.09 0.39 2.80 0.00 0.00 179.97 183.31 1lr1 n GLU 19 N -4.20 1.22 0.00 0.20 -0.58 -1.25 -4.85 120.64 111.19 1lr1 n GLU 19 Ca 0.38 -0.44 0.00 0.00 -0.42 0.00 0.00 57.16 56.68 1lr1 n GLU 19 Cb 1.67 -1.22 0.00 0.00 -0.57 0.00 0.00 31.44 31.32 1lr1 n GLU 19 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1lr1 n SER 20 N 0.24 0.00 -4.27 1.62 2.88 0.46 -5.17 113.62 109.38 1lr1 n SER 20 Ca 0.08 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.46 1lr1 n SER 20 Cb 0.64 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 64.16 1lr1 n SER 20 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1lr1 n THR 21 N 0.00 0.00 0.38 2.46 -2.24 -1.26 -4.98 114.28 108.64 1lr1 n THR 21 Ca 0.00 -1.48 0.12 0.00 -2.27 0.00 0.00 64.05 60.42 1lr1 n THR 21 Cb 0.00 -0.70 0.50 0.00 -2.10 0.00 0.00 70.33 68.03 1lr1 n THR 21 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1lr1 n LEU 22 N 0.00 0.64 -0.39 3.22 -0.00 -1.26 -3.26 117.00 115.95 1lr1 n LEU 22 Ca 0.13 0.67 0.37 0.00 -0.00 0.00 0.00 56.01 57.18 1lr1 n LEU 22 Cb 0.48 -0.60 0.58 0.00 -0.00 0.00 0.00 43.42 43.88 1lr1 n LEU 22 CO 0.31 -0.59 1.34 1.05 -0.00 0.00 0.00 177.39 179.50 1lr1 h GLU 23 N 0.00 0.00 -0.80 1.47 4.11 -1.98 1.12 114.58 118.49 1lr1 h GLU 23 Ca 0.00 0.00 0.14 0.00 0.07 0.00 0.00 59.36 59.57 1lr1 h GLU 23 Cb 0.33 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.49 1lr1 h GLU 23 CO 0.00 0.00 0.38 0.00 0.07 0.00 0.00 179.01 179.46 1lr1 h THR 24 N 0.00 0.72 -0.25 -1.06 1.03 -1.95 0.43 112.91 111.82 1lr1 h THR 24 Ca 0.65 -0.19 -0.05 0.00 -0.01 0.00 0.00 66.41 66.81 1lr1 h THR 24 Cb 3.22 0.11 -0.01 0.00 -1.07 0.00 0.00 68.15 70.40 1lr1 h THR 24 CO -0.01 0.10 -0.03 0.17 -0.01 0.00 0.00 175.52 175.75 1lr1 h LEU 25 N 0.56 0.46 -1.94 0.00 8.10 0.10 0.28 115.31 122.88 1lr1 h LEU 25 Ca 0.43 -0.34 0.16 0.00 0.11 0.00 0.00 57.88 58.25 1lr1 h LEU 25 Cb 0.61 -0.13 -0.02 0.00 -0.44 0.00 0.00 40.66 40.68 1lr1 h LEU 25 CO -0.36 0.69 0.52 -0.08 -4.11 0.00 0.00 178.44 175.10 1lr1 h GLU 26 N 0.23 0.00 0.00 0.17 4.81 -1.06 3.79 114.58 122.52 1lr1 h GLU 26 Ca 0.07 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.25 1lr1 h GLU 26 Cb 0.47 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 1lr1 h GLU 26 CO 0.02 0.00 -0.32 1.49 -0.73 0.00 0.00 179.01 179.46 1lr1 h GLU 27 N 0.00 0.00 0.08 1.92 4.81 0.12 -3.30 114.58 118.21 1lr1 h GLU 27 Ca 0.26 0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 59.20 1lr1 h GLU 27 Cb 1.31 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.67 1lr1 h GLU 27 CO -0.00 0.61 -1.56 0.52 -0.73 0.00 0.00 179.01 177.85 1lr1 h MET 28 N -1.00 0.18 -0.85 1.92 2.86 0.76 -3.32 114.93 115.48 1lr1 h MET 28 Ca -0.07 -0.30 0.14 0.00 -2.06 0.00 0.00 59.70 57.41 1lr1 h MET 28 Cb 0.74 0.11 -0.06 0.00 0.06 0.00 0.00 31.60 32.45 1lr1 h MET 28 CO -0.04 1.15 0.55 1.25 1.06 0.00 0.00 176.91 180.87 1lr1 h LEU 29 N -0.38 0.58 -1.04 1.22 5.85 0.70 0.65 115.31 122.88 1lr1 h LEU 29 Ca -0.36 0.03 -0.10 0.00 0.84 0.00 0.00 57.88 58.30 1lr1 h LEU 29 Cb 1.72 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.65 1lr1 h LEU 29 CO -0.01 0.30 -0.40 -0.08 -0.34 0.00 0.00 178.44 177.91 1lr1 h GLU 30 N 0.62 0.16 0.12 1.25 4.81 -1.51 -1.17 114.58 118.85 1lr1 h GLU 30 Ca 0.42 -0.07 -0.32 0.00 -0.13 0.00 0.00 59.36 59.26 1lr1 h GLU 30 Cb 0.74 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.11 1lr1 h GLU 30 CO -0.18 0.53 -1.67 0.87 -0.73 0.00 0.00 179.01 177.83 1lr1 h LYS 31 N 0.13 0.25 0.00 1.92 1.79 -0.86 -2.66 116.57 117.15 1lr1 h LYS 31 Ca 0.01 -0.43 -0.02 0.00 -2.18 0.00 0.00 60.65 58.03 1lr1 h LYS 31 Cb 0.76 0.16 -0.00 0.00 -1.58 0.00 0.00 32.23 31.57 1lr1 h LYS 31 CO 0.06 1.10 -0.08 1.25 -1.08 0.00 0.00 179.45 180.70 1lr1 h LEU 32 N 0.07 0.00 0.05 2.94 5.85 0.22 0.30 115.31 124.74 1lr1 h LEU 32 Ca -0.30 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.21 1lr1 h LEU 32 Cb 2.04 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 43.05 1lr1 h LEU 32 CO 0.14 0.08 -1.09 1.05 -0.34 0.00 0.00 178.44 178.29 1lr1 h GLU 33 N 0.00 0.11 -0.45 1.25 4.11 -1.27 -3.29 114.58 115.05 1lr1 h GLU 33 Ca -0.00 -0.19 -0.01 0.00 0.07 0.00 0.00 59.36 59.22 1lr1 h GLU 33 Cb 0.46 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 1lr1 h GLU 33 CO 0.01 1.09 0.22 -0.39 0.07 0.00 0.00 179.01 180.01 1lr1 h VAL 34 N -0.67 1.15 -0.78 -1.06 -1.51 -1.31 0.51 116.25 112.58 1lr1 h VAL 34 Ca -0.26 -0.41 0.07 0.00 -1.23 0.00 0.00 66.70 64.87 1lr1 h VAL 34 Cb 1.46 0.57 -0.06 0.00 -2.13 0.00 0.00 31.29 31.13 1lr1 h VAL 34 CO -0.04 0.17 0.46 1.62 -1.23 0.00 0.00 177.57 178.55 1lr1 h VAL 35 N 0.62 0.98 0.02 7.19 3.04 -1.07 -0.42 116.25 126.61 1lr1 h VAL 35 Ca 0.16 -0.28 -0.24 0.00 -1.01 0.00 0.00 66.70 65.32 1lr1 h VAL 35 Cb 0.06 0.09 0.01 0.00 -2.01 0.00 0.00 31.29 29.43 1lr1 h VAL 35 CO -0.02 0.15 -1.01 0.58 -1.01 0.00 0.00 177.57 176.26 1lr1 h VAL 36 N 0.83 1.37 -1.11 1.51 2.07 -1.28 -3.01 116.25 116.63 1lr1 h VAL 36 Ca 0.35 -2.44 0.39 0.00 0.82 0.00 0.00 66.70 65.82 1lr1 h VAL 36 Cb 0.22 2.46 -0.15 0.00 -1.52 0.00 0.00 31.29 32.31 1lr1 h VAL 36 CO -0.19 0.73 0.66 -1.13 0.02 0.00 0.00 177.57 177.66 1lr1 h ASN 37 N 0.26 0.37 -0.05 0.57 -1.24 0.16 3.78 115.58 119.43 1lr1 h ASN 37 Ca -0.10 0.19 -0.21 0.00 0.71 0.00 0.00 56.30 56.88 1lr1 h ASN 37 Cb 1.65 0.17 0.01 0.00 0.73 0.00 0.00 38.32 40.88 1lr1 h ASN 37 CO 0.18 -0.23 -0.79 -0.33 -1.29 0.00 0.00 177.43 174.97 1lr1 h GLU 38 N 0.16 0.62 0.07 6.67 5.08 -1.28 -3.06 114.58 122.83 1lr1 h GLU 38 Ca 0.79 -0.60 -0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1lr1 h GLU 38 Cb 2.14 0.16 0.00 0.00 0.50 0.00 0.00 28.75 31.54 1lr1 h GLU 38 CO -0.58 1.21 -0.03 0.00 -1.00 0.00 0.00 179.01 178.62 1lr1 h ARG 39 N 0.26 -0.09 -1.07 2.33 -0.00 0.24 0.11 114.38 116.16 1lr1 h ARG 39 Ca -0.08 0.01 0.29 0.00 -0.50 0.00 0.00 59.98 59.69 1lr1 h ARG 39 Cb 1.45 0.02 -0.11 0.00 0.00 0.00 0.00 29.97 31.33 1lr1 h ARG 39 CO 0.16 0.47 0.67 0.00 0.00 0.00 0.00 179.97 181.27 1lr1 h ARG 40 N -0.75 0.37 0.07 0.04 2.47 0.62 2.25 114.38 119.45 1lr1 h ARG 40 Ca -0.01 -0.02 -0.24 0.00 -1.26 0.00 0.00 59.98 58.45 1lr1 h ARG 40 Cb 0.60 -0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 28.83 1lr1 h ARG 40 CO 0.02 0.25 -1.26 0.93 0.56 0.00 0.00 179.97 180.46 1lr1 h GLU 41 N 0.38 0.15 0.09 0.04 5.08 -1.55 -3.30 114.58 115.47 1lr1 h GLU 41 Ca 0.65 -0.26 -0.27 0.00 -1.00 0.00 0.00 59.36 58.48 1lr1 h GLU 41 Cb 1.61 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.94 1lr1 h GLU 41 CO -0.39 1.12 -1.44 0.93 -1.00 0.00 0.00 179.01 178.23 1lr1 h GLU 42 N -0.55 0.18 -0.31 2.33 5.08 -0.05 -3.26 114.58 118.01 1lr1 h GLU 42 Ca -0.29 -0.32 -0.00 0.00 -1.00 0.00 0.00 59.36 57.75 1lr1 h GLU 42 Cb 1.57 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.92 1lr1 h GLU 42 CO -0.02 1.15 0.18 1.49 -1.00 0.00 0.00 179.01 180.81 1lr1 h GLU 43 N -0.41 0.43 -0.63 2.33 4.57 0.36 0.55 114.58 121.78 1lr1 h GLU 43 Ca -0.33 -0.05 0.08 0.00 -1.18 0.00 0.00 59.36 57.89 1lr1 h GLU 43 Cb 1.69 -0.09 -0.04 0.00 -0.16 0.00 0.00 28.75 30.15 1lr1 h GLU 43 CO 0.00 0.35 0.42 1.03 -1.18 0.00 0.00 179.01 179.63 1lr1 h SER 44 N 0.39 0.47 -0.44 1.04 0.87 -1.51 0.92 113.55 115.29 1lr1 h SER 44 Ca 0.11 0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.64 1lr1 h SER 44 Cb 0.04 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 61.89 1lr1 h SER 44 CO -0.02 0.30 0.12 0.00 -0.53 0.00 0.00 176.83 176.69 1lr1 h ALA 45 N 1.67 0.58 -0.97 6.23 0.00 -1.23 -1.41 119.26 124.13 1lr1 h ALA 45 Ca 0.28 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1lr1 h ALA 45 Cb 0.41 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 1lr1 h ALA 45 CO -0.09 0.25 0.64 0.00 0.00 0.00 0.00 179.25 180.06 1lr1 h ALA 46 N 0.97 1.31 -0.44 0.00 0.00 0.13 0.72 119.26 121.96 1lr1 h ALA 46 Ca 0.14 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1lr1 h ALA 46 Cb 0.30 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1lr1 h ALA 46 CO -0.00 0.64 0.06 0.00 0.00 0.00 0.00 179.25 179.95 1lr1 h ALA 47 N 1.40 0.58 -0.51 0.00 0.00 -0.86 -1.76 119.26 118.11 1lr1 h ALA 47 Ca 0.35 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 1lr1 h ALA 47 Cb -0.15 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1lr1 h ALA 47 CO -0.08 0.32 -0.10 0.00 0.00 0.00 0.00 179.25 179.39 1lr1 h ALA 48 N 0.94 0.86 -0.14 0.00 0.00 -0.76 -1.62 119.26 118.54 1lr1 h ALA 48 Ca 0.13 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1lr1 h ALA 48 Cb 0.40 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1lr1 h ALA 48 CO 0.01 0.65 0.06 1.49 0.00 0.00 0.00 179.25 181.46 1lr1 h GLU 49 N 0.84 0.21 -0.54 0.00 4.57 -0.71 -3.02 114.58 115.93 1lr1 h GLU 49 Ca 0.14 -0.03 -0.10 0.00 -1.18 0.00 0.00 59.36 58.19 1lr1 h GLU 49 Cb 0.64 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.17 1lr1 h GLU 49 CO 0.04 0.28 -0.04 -0.39 -1.18 0.00 0.00 179.01 177.72 1lr1 h VAL 50 N 0.09 1.26 0.00 0.32 -1.51 -1.28 -3.41 116.25 111.72 1lr1 h VAL 50 Ca 0.05 -1.16 0.00 0.00 -1.23 0.00 0.00 66.70 64.36 1lr1 h VAL 50 Cb 0.15 0.89 0.00 0.00 -2.13 0.00 0.00 31.29 30.20 1lr1 h VAL 50 CO -0.01 0.41 0.00 1.21 -1.23 0.00 0.00 177.57 177.96 1lr1 n GLU 51 N -4.17 0.00 0.00 5.19 2.13 -0.61 -3.98 120.64 119.20 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 14.00 0.00 -0.28 5.31 2.13 -1.26 -4.93 120.64 135.61 1lr1 n GLU 52 Ca 0.00 0.00 0.21 0.00 0.66 0.00 0.00 57.16 58.03 1lr1 n GLU 52 Cb 0.00 0.00 0.52 0.00 0.27 0.00 0.00 31.44 32.23 1lr1 n GLU 52 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 1lr1 h ARG 53 N 0.00 0.38 0.00 5.31 2.43 -2.02 -3.39 114.38 117.09 1lr1 h ARG 53 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1lr1 h ARG 53 Cb 0.00 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.46 1lr1 h ARG 53 CO 0.00 0.25 0.00 -2.37 -1.51 0.00 0.00 179.97 176.34 1lr1 n THR 54 N -4.54 0.00 -0.94 0.20 5.66 -1.26 -5.17 114.28 108.23 1lr1 n THR 54 Ca 0.22 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.22 1lr1 n THR 54 Cb 0.79 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.57 1lr1 n THR 54 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1lr1 n ARG 55 N -1.03 -2.60 0.00 1.09 1.74 -1.26 -4.69 116.66 109.91 1lr1 n ARG 55 Ca 0.00 1.97 0.00 0.00 -0.77 0.00 0.00 57.85 59.05 1lr1 n ARG 55 Cb 0.00 -2.31 0.00 0.00 -1.02 0.00 0.00 32.46 29.13 1lr1 n ARG 55 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1lr1 n LYS 56 N -1.40 0.00 0.00 5.56 3.00 -1.26 -5.07 118.16 118.99 1lr1 n LYS 56 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1lr1 n LYS 56 Cb 0.11 -0.10 0.00 0.00 0.00 0.00 0.00 35.03 35.04 1lr1 n LYS 56 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29