#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 4.33 4.81 -2.04 -1.45 114.58 120.23 1lr1 h GLU 2 Ca 0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1lr1 h GLU 2 Cb 0.00 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 1lr1 h GLU 2 CO 0.00 0.62 -0.07 0.00 -0.73 0.00 0.00 179.01 178.83 1lr1 h ALA 3 N 1.38 0.97 0.08 2.92 0.00 -1.99 0.47 119.26 123.09 1lr1 h ALA 3 Ca -0.01 -0.06 -0.20 0.00 0.00 0.00 0.00 54.91 54.64 1lr1 h ALA 3 Cb 1.18 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 1lr1 h ALA 3 CO 0.08 0.09 -1.02 -0.07 0.00 0.00 0.00 179.25 178.33 1lr1 h LEU 4 N 0.00 0.25 0.00 0.00 4.07 -1.93 -3.36 115.31 114.33 1lr1 h LEU 4 Ca -0.00 -0.83 -0.09 0.00 0.08 0.00 0.00 57.88 57.04 1lr1 h LEU 4 Cb 0.83 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 42.47 1lr1 h LEU 4 CO 0.01 1.44 -0.53 0.50 -1.08 0.00 0.00 178.44 178.78 1lr1 h LYS 5 N -0.58 0.00 -0.58 1.13 1.63 -1.26 0.43 116.57 117.35 1lr1 h LYS 5 Ca -0.23 0.00 0.09 0.00 -0.85 0.00 0.00 60.65 59.66 1lr1 h LYS 5 Cb 1.51 0.00 -0.07 0.00 -0.60 0.00 0.00 32.23 33.08 1lr1 h LYS 5 CO 0.01 0.39 0.21 0.97 -3.45 0.00 0.00 179.45 177.58 1lr1 h ILE 6 N 0.00 0.79 -0.00 2.00 2.10 -0.20 -2.06 117.51 120.14 1lr1 h ILE 6 Ca -0.02 -0.14 0.00 0.00 1.08 0.00 0.00 64.86 65.78 1lr1 h ILE 6 Cb 1.33 0.36 0.00 0.00 -1.09 0.00 0.00 36.82 37.42 1lr1 h ILE 6 CO 0.05 0.07 -0.73 0.00 -1.08 0.00 0.00 178.15 176.47 1lr1 n LEU 7 N -4.99 0.79 -2.78 2.19 -0.00 -1.24 -4.84 117.00 106.12 1lr1 n LEU 7 Ca 0.08 -0.51 -0.20 0.00 -0.00 0.00 0.00 56.01 55.37 1lr1 n LEU 7 Cb 0.25 0.00 0.03 0.00 -0.00 0.00 0.00 43.42 43.70 1lr1 n LEU 7 CO 0.23 0.19 0.01 -3.20 -0.00 0.00 0.00 177.39 174.62 1lr1 n ASN 8 N -1.32 -5.76 -1.99 1.45 2.85 0.12 -4.52 115.26 106.10 1lr1 n ASN 8 Ca 0.03 -0.27 0.00 0.00 -0.11 0.00 0.00 54.58 54.23 1lr1 n ASN 8 Cb 0.25 -4.58 0.00 0.00 1.24 0.00 0.00 39.78 36.70 1lr1 n ASN 8 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1lr1 n ASN 9 N -2.15 -9.41 0.19 1.20 5.03 0.43 -3.94 115.26 106.61 1lr1 n ASN 9 Ca -0.10 1.41 0.18 0.00 0.87 0.00 0.00 54.58 56.94 1lr1 n ASN 9 Cb 0.61 -5.21 0.77 0.00 -1.02 0.00 0.00 39.78 34.93 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 3.51 0.24 0.11 2.41 3.07 -1.91 -0.98 117.51 123.96 1lr1 h ILE 10 Ca 0.00 0.00 -0.01 0.00 1.55 0.00 0.00 64.86 66.40 1lr1 h ILE 10 Cb 0.00 0.66 0.00 0.00 -0.27 0.00 0.00 36.82 37.21 1lr1 h ILE 10 CO 0.00 0.00 -0.05 0.08 -1.05 0.00 0.00 178.15 177.13 1lr1 h ARG 11 N 0.00 -0.14 -0.11 0.16 0.11 -1.94 0.37 114.38 112.82 1lr1 h ARG 11 Ca 0.12 0.01 -0.22 0.00 0.10 0.00 0.00 59.98 59.99 1lr1 h ARG 11 Cb 0.91 0.03 0.01 0.00 1.11 0.00 0.00 29.97 32.03 1lr1 h ARG 11 CO -0.00 0.07 -0.81 1.15 0.10 0.00 0.00 179.97 180.48 1lr1 h THR 12 N -0.34 1.31 0.02 0.08 2.02 -1.40 -3.29 112.91 111.31 1lr1 h THR 12 Ca -0.02 -2.07 -0.00 0.00 0.77 0.00 0.00 66.41 65.10 1lr1 h THR 12 Cb 0.28 2.08 0.00 0.00 -1.74 0.00 0.00 68.15 68.76 1lr1 h THR 12 CO 0.02 0.64 -0.01 0.25 0.37 0.00 0.00 175.52 176.80 1lr1 h LEU 13 N 0.45 -0.03 -1.50 2.58 6.46 -1.20 -1.46 115.31 120.62 1lr1 h LEU 13 Ca -0.06 -0.16 0.39 0.00 -0.12 0.00 0.00 57.88 57.93 1lr1 h LEU 13 Cb 1.42 0.01 -0.11 0.00 -0.73 0.00 0.00 40.66 41.25 1lr1 h LEU 13 CO 0.16 0.15 0.85 -0.09 -0.62 0.00 0.00 178.44 178.88 1lr1 h ARG 14 N -0.20 0.14 0.05 1.25 9.65 -0.33 0.87 114.38 125.81 1lr1 h ARG 14 Ca -0.00 -0.01 -0.17 0.00 -1.10 0.00 0.00 59.98 58.70 1lr1 h ARG 14 Cb 0.19 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 28.73 1lr1 h ARG 14 CO 0.01 0.10 -0.87 0.00 2.80 0.00 0.00 179.97 182.00 1lr1 h ALA 15 N 1.54 0.12 -0.36 2.80 0.00 -1.57 -0.55 119.26 121.24 1lr1 h ALA 15 Ca 0.75 -0.90 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 1lr1 h ALA 15 Cb 2.36 0.37 -0.02 0.00 0.00 0.00 0.00 17.79 20.50 1lr1 h ALA 15 CO -0.32 0.49 0.02 -0.56 0.00 0.00 0.00 179.25 178.88 1lr1 h GLN 16 N -0.73 0.56 0.00 0.00 3.07 -0.01 -1.88 115.11 116.11 1lr1 h GLN 16 Ca -0.21 -0.12 -0.04 0.00 0.09 0.00 0.00 58.65 58.38 1lr1 h GLN 16 Cb 1.38 -0.08 -0.01 0.00 0.08 0.00 0.00 27.48 28.85 1lr1 h GLN 16 CO -0.03 0.57 -0.75 0.00 0.09 0.00 0.00 178.83 178.71 1lr1 h ALA 17 N 1.49 0.67 -1.44 0.06 0.00 0.54 -3.33 119.26 117.26 1lr1 h ALA 17 Ca 0.12 -0.17 0.42 0.00 0.00 0.00 0.00 54.91 55.28 1lr1 h ALA 17 Cb 0.32 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.08 1lr1 h ALA 17 CO 0.01 0.20 1.03 -0.09 0.00 0.00 0.00 179.25 180.39 1lr1 h ARG 18 N 0.00 0.02 -1.11 0.00 9.65 -0.22 1.15 114.38 123.86 1lr1 h ARG 18 Ca -0.02 -0.00 -0.29 0.00 -1.10 0.00 0.00 59.98 58.57 1lr1 h ARG 18 Cb 1.12 -0.01 -0.16 0.00 -1.39 0.00 0.00 29.97 29.54 1lr1 h ARG 18 CO 0.01 0.01 0.37 -0.85 2.80 0.00 0.00 179.97 182.31 1lr1 n GLU 19 N -4.15 1.70 0.00 0.20 0.28 -1.25 -4.90 120.64 112.52 1lr1 n GLU 19 Ca 0.32 -1.58 0.00 0.00 -0.16 0.00 0.00 57.16 55.74 1lr1 n GLU 19 Cb 1.48 -1.62 0.00 0.00 1.43 0.00 0.00 31.44 32.73 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 -0.21 0.00 -3.28 -1.84 3.41 0.39 -5.16 113.62 106.93 1lr1 n SER 20 Ca 0.31 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.83 1lr1 n SER 20 Cb 0.98 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.96 1lr1 n SER 20 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1lr1 n THR 21 N 0.00 0.00 0.42 6.66 -2.24 -1.26 -4.99 114.28 112.87 1lr1 n THR 21 Ca 0.00 -0.86 0.12 0.00 -2.27 0.00 0.00 64.05 61.04 1lr1 n THR 21 Cb 0.00 -0.72 0.48 0.00 -2.10 0.00 0.00 70.33 67.99 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 0.67 -0.49 3.22 -0.00 -1.26 -3.38 117.00 115.76 1lr1 n LEU 22 Ca 0.06 0.66 0.42 0.00 -0.00 0.00 0.00 56.01 57.15 1lr1 n LEU 22 Cb 0.26 -0.55 0.66 0.00 -0.00 0.00 0.00 43.42 43.80 1lr1 n LEU 22 CO 0.17 -0.52 1.39 1.05 -0.00 0.00 0.00 177.39 179.48 1lr1 h GLU 23 N 0.00 0.00 -0.84 1.47 -0.00 -1.99 1.15 114.58 114.36 1lr1 h GLU 23 Ca 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 59.36 59.45 1lr1 h GLU 23 Cb 0.39 0.00 -0.07 0.00 -0.00 0.00 0.00 28.75 29.07 1lr1 h GLU 23 CO 0.00 0.00 0.50 0.00 -0.00 0.00 0.00 179.01 179.51 1lr1 h THR 24 N 0.00 0.94 -0.42 -1.06 1.03 -1.97 -1.07 112.91 110.36 1lr1 h THR 24 Ca 0.74 -0.29 -0.09 0.00 -0.01 0.00 0.00 66.41 66.76 1lr1 h THR 24 Cb 3.38 0.02 -0.01 0.00 -1.07 0.00 0.00 68.15 70.47 1lr1 h THR 24 CO -0.01 0.15 -0.09 0.17 -0.01 0.00 0.00 175.52 175.74 1lr1 h LEU 25 N 0.85 0.81 -2.06 0.00 8.10 0.11 0.37 115.31 123.48 1lr1 h LEU 25 Ca 0.40 -0.36 0.10 0.00 0.11 0.00 0.00 57.88 58.14 1lr1 h LEU 25 Cb 0.33 -0.22 -0.01 0.00 -0.44 0.00 0.00 40.66 40.31 1lr1 h LEU 25 CO -0.23 0.98 0.35 -0.08 -4.11 0.00 0.00 178.44 175.35 1lr1 h GLU 26 N 0.63 0.00 0.00 0.17 4.81 -1.23 4.26 114.58 123.23 1lr1 h GLU 26 Ca 0.11 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.26 1lr1 h GLU 26 Cb 0.62 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.98 1lr1 h GLU 26 CO 0.04 0.00 -0.45 1.49 -0.73 0.00 0.00 179.01 179.36 1lr1 h GLU 27 N 0.00 0.00 0.03 1.92 4.81 -0.15 -3.28 114.58 117.91 1lr1 h GLU 27 Ca 0.17 -0.00 -0.25 0.00 -0.13 0.00 0.00 59.36 59.15 1lr1 h GLU 27 Cb 0.87 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.23 1lr1 h GLU 27 CO -0.00 1.00 -1.35 0.52 -0.73 0.00 0.00 179.01 178.45 1lr1 h MET 28 N -1.00 0.06 -0.94 1.92 2.86 0.11 -3.33 114.93 114.62 1lr1 h MET 28 Ca -0.13 -0.11 0.09 0.00 -2.06 0.00 0.00 59.70 57.49 1lr1 h MET 28 Cb 1.11 0.04 -0.07 0.00 0.06 0.00 0.00 31.60 32.74 1lr1 h MET 28 CO -0.08 1.05 0.61 1.25 1.06 0.00 0.00 176.91 180.80 1lr1 h LEU 29 N -0.77 0.90 -1.05 1.22 5.85 0.81 0.69 115.31 122.97 1lr1 h LEU 29 Ca -0.35 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.32 1lr1 h LEU 29 Cb 1.45 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.30 1lr1 h LEU 29 CO -0.13 0.55 -0.11 -0.08 -0.34 0.00 0.00 178.44 178.33 1lr1 h GLU 30 N 1.01 0.55 0.00 1.25 4.81 -1.42 -1.46 114.58 119.32 1lr1 h GLU 30 Ca 0.43 -0.16 -0.18 0.00 -0.13 0.00 0.00 59.36 59.32 1lr1 h GLU 30 Cb 0.32 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.61 1lr1 h GLU 30 CO -0.18 0.66 -1.21 0.87 -0.73 0.00 0.00 179.01 178.42 1lr1 h LYS 31 N 0.51 0.00 0.00 1.92 1.79 -1.33 -2.92 116.57 116.54 1lr1 h LYS 31 Ca 0.09 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.50 1lr1 h LYS 31 Cb 0.49 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.14 1lr1 h LYS 31 CO 0.03 0.45 -0.32 1.25 -1.08 0.00 0.00 179.45 179.78 1lr1 h LEU 32 N 0.00 0.00 0.09 2.94 5.85 0.60 0.20 115.31 124.99 1lr1 h LEU 32 Ca -0.13 0.00 -0.29 0.00 0.84 0.00 0.00 57.88 58.30 1lr1 h LEU 32 Cb 1.63 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.65 1lr1 h LEU 32 CO 0.07 0.32 -1.49 1.05 -0.34 0.00 0.00 178.44 178.05 1lr1 h GLU 33 N 0.00 0.19 -0.17 1.25 4.11 -1.31 -3.22 114.58 115.42 1lr1 h GLU 33 Ca -0.00 -0.32 -0.21 0.00 0.07 0.00 0.00 59.36 58.90 1lr1 h GLU 33 Cb 0.77 0.12 0.01 0.00 0.50 0.00 0.00 28.75 30.15 1lr1 h GLU 33 CO 0.04 1.02 -0.72 -0.39 0.07 0.00 0.00 179.01 179.03 1lr1 h VAL 34 N 0.05 1.29 -0.55 -1.06 -1.51 -1.28 1.67 116.25 114.86 1lr1 h VAL 34 Ca -0.22 -1.95 0.08 0.00 -1.23 0.00 0.00 66.70 63.38 1lr1 h VAL 34 Cb 1.98 1.93 -0.07 0.00 -2.13 0.00 0.00 31.29 33.01 1lr1 h VAL 34 CO 0.15 0.62 0.18 -0.37 -1.23 0.00 0.00 177.57 176.92 1lr1 h VAL 35 N 0.52 0.77 0.00 7.19 -1.51 -0.72 -0.27 116.25 122.23 1lr1 h VAL 35 Ca -0.04 -0.12 0.00 0.00 -1.23 0.00 0.00 66.70 65.31 1lr1 h VAL 35 Cb 1.34 0.39 0.00 0.00 -2.13 0.00 0.00 31.29 30.89 1lr1 h VAL 35 CO 0.15 0.06 -0.61 1.62 -1.23 0.00 0.00 177.57 177.57 1lr1 h VAL 36 N 0.35 0.00 -0.78 7.19 3.04 -1.55 -3.24 116.25 121.27 1lr1 h VAL 36 Ca 0.28 -0.88 0.09 0.00 -1.01 0.00 0.00 66.70 65.17 1lr1 h VAL 36 Cb 0.33 1.55 -0.07 0.00 -2.01 0.00 0.00 31.29 31.10 1lr1 h VAL 36 CO -0.29 0.00 0.44 -1.13 -1.01 0.00 0.00 177.57 175.58 1lr1 h ASN 37 N 0.00 0.63 -0.06 3.17 -0.73 0.43 3.33 115.58 122.35 1lr1 h ASN 37 Ca 0.00 0.04 -0.23 0.00 1.87 0.00 0.00 56.30 57.99 1lr1 h ASN 37 Cb 0.94 -0.08 0.01 0.00 0.27 0.00 0.00 38.32 39.46 1lr1 h ASN 37 CO 0.00 0.37 -0.82 1.05 -0.37 0.00 0.00 177.43 177.66 1lr1 h GLU 38 N 0.76 0.72 0.25 6.67 4.11 -1.53 -2.90 114.58 122.66 1lr1 h GLU 38 Ca 0.37 -0.62 -0.01 0.00 0.07 0.00 0.00 59.36 59.17 1lr1 h GLU 38 Cb 0.32 0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1lr1 h GLU 38 CO -0.23 1.23 -0.12 0.00 0.07 0.00 0.00 179.01 179.95 1lr1 h ARG 39 N 0.48 -0.33 -0.99 1.06 -0.00 -1.25 0.56 114.38 113.91 1lr1 h ARG 39 Ca -0.06 0.02 0.34 0.00 -0.50 0.00 0.00 59.98 59.78 1lr1 h ARG 39 Cb 1.45 0.07 -0.16 0.00 0.00 0.00 0.00 29.97 31.33 1lr1 h ARG 39 CO 0.16 0.04 0.53 0.00 0.00 0.00 0.00 179.97 180.70 1lr1 h ARG 40 N -0.82 0.22 0.06 0.04 2.47 0.60 2.18 114.38 119.13 1lr1 h ARG 40 Ca -0.03 -0.01 -0.16 0.00 -1.26 0.00 0.00 59.98 58.51 1lr1 h ARG 40 Cb 0.51 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.78 1lr1 h ARG 40 CO 0.06 0.15 -0.84 1.49 0.56 0.00 0.00 179.97 181.39 1lr1 h GLU 41 N 0.23 0.12 0.18 0.04 4.57 -1.47 -3.30 114.58 114.94 1lr1 h GLU 41 Ca 0.75 -0.21 -0.29 0.00 -1.18 0.00 0.00 59.36 58.43 1lr1 h GLU 41 Cb 1.77 0.08 0.02 0.00 -0.16 0.00 0.00 28.75 30.46 1lr1 h GLU 41 CO -0.66 1.10 -1.37 0.93 -1.18 0.00 0.00 179.01 177.83 1lr1 h GLU 42 N -0.69 0.38 -0.32 1.92 5.08 0.07 -3.28 114.58 117.74 1lr1 h GLU 42 Ca -0.19 -0.64 0.05 0.00 -1.00 0.00 0.00 59.36 57.57 1lr1 h GLU 42 Cb 1.40 0.24 -0.04 0.00 0.50 0.00 0.00 28.75 30.85 1lr1 h GLU 42 CO -0.00 1.31 0.06 1.49 -1.00 0.00 0.00 179.01 180.86 1lr1 h GLU 43 N -0.10 0.16 -0.76 2.33 4.57 0.34 0.41 114.58 121.54 1lr1 h GLU 43 Ca -0.26 -0.01 0.12 0.00 -1.18 0.00 0.00 59.36 58.02 1lr1 h GLU 43 Cb 1.93 -0.04 -0.05 0.00 -0.16 0.00 0.00 28.75 30.43 1lr1 h GLU 43 CO 0.17 0.11 0.50 1.03 -1.18 0.00 0.00 179.01 179.64 1lr1 h SER 44 N 0.17 0.53 -0.46 1.04 0.87 -1.63 0.24 113.55 114.31 1lr1 h SER 44 Ca 0.15 0.02 -0.11 0.00 -1.23 0.00 0.00 61.79 60.62 1lr1 h SER 44 Cb 0.17 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.03 1lr1 h SER 44 CO -0.21 0.30 -0.16 0.00 -0.53 0.00 0.00 176.83 176.24 1lr1 h ALA 45 N 1.63 0.64 -0.77 6.23 0.00 -0.87 -1.20 119.26 124.91 1lr1 h ALA 45 Ca 0.36 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1lr1 h ALA 45 Cb 0.60 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 1lr1 h ALA 45 CO -0.13 0.58 0.41 0.00 0.00 0.00 0.00 179.25 180.11 1lr1 h ALA 46 N 0.86 0.99 -0.19 0.00 0.00 0.29 0.17 119.26 121.38 1lr1 h ALA 46 Ca 0.11 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 1lr1 h ALA 46 Cb 0.72 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1lr1 h ALA 46 CO 0.06 0.52 -0.25 0.00 0.00 0.00 0.00 179.25 179.58 1lr1 h ALA 47 N 1.21 0.29 -0.34 0.00 0.00 -0.91 -2.57 119.26 116.95 1lr1 h ALA 47 Ca 0.27 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 1lr1 h ALA 47 Cb 0.05 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1lr1 h ALA 47 CO -0.04 0.26 0.07 0.00 0.00 0.00 0.00 179.25 179.54 1lr1 h ALA 48 N 0.62 0.45 -0.58 0.00 0.00 -1.06 0.25 119.26 118.94 1lr1 h ALA 48 Ca 0.02 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 1lr1 h ALA 48 Cb 0.81 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 1lr1 h ALA 48 CO 0.06 0.12 0.15 1.05 0.00 0.00 0.00 179.25 180.63 1lr1 h GLU 49 N 0.39 0.88 -2.04 0.00 4.11 -1.03 -3.36 114.58 113.54 1lr1 h GLU 49 Ca 0.10 -0.18 -0.54 0.00 0.07 0.00 0.00 59.36 58.82 1lr1 h GLU 49 Cb 0.32 -0.13 -0.36 0.00 0.50 0.00 0.00 28.75 29.07 1lr1 h GLU 49 CO 0.00 0.79 -0.98 0.28 0.07 0.00 0.00 179.01 179.17 1lr1 n VAL 50 N -4.27 -0.90 0.21 -1.06 0.31 -0.97 -4.80 118.33 106.85 1lr1 n VAL 50 Ca 0.04 -3.40 -0.15 0.00 -0.01 0.00 0.00 64.34 60.82 1lr1 n VAL 50 Cb 0.23 -1.46 -0.08 0.00 -0.91 0.00 0.00 33.84 31.62 1lr1 n VAL 50 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1lr1 h GLU 51 N 4.92 -0.44 0.00 5.55 5.08 -1.11 -3.43 114.58 125.15 1lr1 h GLU 51 Ca 0.16 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1lr1 h GLU 51 Cb 0.92 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.27 1lr1 h GLU 51 CO 0.38 -0.29 0.00 -1.91 -1.00 0.00 0.00 179.01 176.19 1lr1 n GLU 52 N -5.28 0.00 0.03 2.33 0.00 -1.26 -4.99 120.64 111.47 1lr1 n GLU 52 Ca -0.10 0.00 -0.19 0.00 0.00 0.00 0.00 57.16 56.87 1lr1 n GLU 52 Cb 0.20 0.00 -0.13 0.00 0.00 0.00 0.00 31.44 31.51 1lr1 n GLU 52 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 1lr1 h ARG 53 N 0.00 0.32 -6.90 5.31 2.43 -2.00 -3.46 114.38 110.08 1lr1 h ARG 53 Ca 0.00 -0.45 -0.55 0.00 -0.81 0.00 0.00 59.98 58.17 1lr1 h ARG 53 Cb 0.00 0.15 0.12 0.00 -0.42 0.00 0.00 29.97 29.82 1lr1 h ARG 53 CO 0.00 1.17 0.65 -2.37 -1.51 0.00 0.00 179.97 177.92 1lr1 n THR 54 N -4.19 2.32 0.00 0.20 5.66 -1.26 -4.96 114.28 112.05 1lr1 n THR 54 Ca -0.12 -0.50 0.00 0.00 -3.05 0.00 0.00 64.05 60.38 1lr1 n THR 54 Cb 0.74 -1.79 0.00 0.00 -1.55 0.00 0.00 70.33 67.73 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 0.21 0.00 0.02 1.09 1.74 -1.26 -4.69 116.66 113.78 1lr1 n ARG 55 Ca 0.04 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 57.00 1lr1 n ARG 55 Cb 0.39 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 31.75 1lr1 n ARG 55 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1lr1 h LYS 56 N 0.00 0.01 0.00 5.56 1.57 -1.98 -3.51 116.57 118.21 1lr1 h LYS 56 Ca 0.00 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1lr1 h LYS 56 Cb 0.00 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1lr1 h LYS 56 CO 0.00 0.15 0.00 -0.11 -0.57 0.00 0.00 179.45 178.92