#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 1.43 9.09 -2.03 -0.56 114.58 122.50 1lr1 h GLU 2 Ca 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.39 1lr1 h GLU 2 Cb 0.00 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.10 1lr1 h GLU 2 CO 0.00 0.57 -0.08 0.00 0.05 0.00 0.00 179.01 179.55 1lr1 h ALA 3 N 1.43 0.96 0.11 1.06 0.00 -2.01 0.58 119.26 121.39 1lr1 h ALA 3 Ca -0.01 -0.08 -0.26 0.00 0.00 0.00 0.00 54.91 54.57 1lr1 h ALA 3 Cb 1.08 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1lr1 h ALA 3 CO 0.07 0.10 -1.33 -0.07 0.00 0.00 0.00 179.25 178.03 1lr1 h LEU 4 N 0.00 0.36 0.00 0.00 -0.00 -1.93 -3.36 115.31 110.38 1lr1 h LEU 4 Ca -0.00 -0.85 0.00 0.00 -0.00 0.00 0.00 57.88 57.03 1lr1 h LEU 4 Cb 0.88 -0.12 0.00 0.00 -0.00 0.00 0.00 40.66 41.42 1lr1 h LEU 4 CO 0.01 1.58 -0.33 0.07 -0.00 0.00 0.00 178.44 179.77 1lr1 h LYS 5 N -0.35 0.00 0.38 1.13 5.09 -1.09 0.87 116.57 122.60 1lr1 h LYS 5 Ca -0.29 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.45 1lr1 h LYS 5 Cb 1.72 0.00 -0.03 0.00 0.10 0.00 0.00 32.23 34.02 1lr1 h LYS 5 CO 0.05 0.00 -0.50 0.97 -2.09 0.00 0.00 179.45 177.88 1lr1 h ILE 6 N 0.00 0.03 0.00 0.07 -0.00 0.03 -0.17 117.51 117.47 1lr1 h ILE 6 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.86 1lr1 h ILE 6 Cb 1.00 0.03 0.00 0.00 -0.00 0.00 0.00 36.82 37.85 1lr1 h ILE 6 CO 0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 178.15 177.88 1lr1 n LEU 7 N -5.54 0.28 -2.87 2.19 -0.00 -1.25 -4.88 117.00 104.93 1lr1 n LEU 7 Ca -0.11 0.24 -0.20 0.00 -0.00 0.00 0.00 56.01 55.95 1lr1 n LEU 7 Cb 0.44 -0.36 0.05 0.00 -0.00 0.00 0.00 43.42 43.55 1lr1 n LEU 7 CO 0.24 0.06 0.10 -3.20 -0.00 0.00 0.00 177.39 174.59 1lr1 n ASN 8 N -1.52 -5.64 -2.01 1.45 2.85 -0.08 -4.56 115.26 105.76 1lr1 n ASN 8 Ca 0.06 -0.35 0.00 0.00 -0.11 0.00 0.00 54.58 54.18 1lr1 n ASN 8 Cb 0.34 -4.37 0.00 0.00 1.24 0.00 0.00 39.78 36.99 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 -2.13 -9.46 -0.08 1.20 5.03 0.29 -3.75 115.26 106.35 1lr1 n ASN 9 Ca -0.05 1.40 0.08 0.00 0.87 0.00 0.00 54.58 56.88 1lr1 n ASN 9 Cb 0.58 -5.22 0.44 0.00 -1.02 0.00 0.00 39.78 34.56 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 3.73 1.00 0.10 2.41 -2.65 -1.89 0.92 117.51 121.13 1lr1 h ILE 10 Ca 0.00 -0.19 0.01 0.00 1.03 0.00 0.00 64.86 65.72 1lr1 h ILE 10 Cb 0.00 0.41 -0.02 0.00 -2.05 0.00 0.00 36.82 35.16 1lr1 h ILE 10 CO 0.00 0.10 -0.17 0.08 0.03 0.00 0.00 178.15 178.19 1lr1 h ARG 11 N 0.54 -0.33 -0.12 0.16 0.11 -1.96 0.79 114.38 113.58 1lr1 h ARG 11 Ca 0.24 0.02 -0.22 0.00 0.10 0.00 0.00 59.98 60.13 1lr1 h ARG 11 Cb 0.27 0.07 0.01 0.00 1.11 0.00 0.00 29.97 31.43 1lr1 h ARG 11 CO -0.07 -0.22 -0.79 1.15 0.10 0.00 0.00 179.97 180.15 1lr1 h THR 12 N -0.34 1.31 0.51 0.08 2.02 -1.64 -3.32 112.91 111.53 1lr1 h THR 12 Ca 0.02 -2.05 -0.02 0.00 0.77 0.00 0.00 66.41 65.14 1lr1 h THR 12 Cb 0.35 2.05 -0.01 0.00 -1.74 0.00 0.00 68.15 68.81 1lr1 h THR 12 CO -0.09 0.64 -0.33 0.25 0.37 0.00 0.00 175.52 176.36 1lr1 h LEU 13 N 0.45 -0.83 -1.76 2.58 6.46 -0.65 -1.19 115.31 120.37 1lr1 h LEU 13 Ca -0.05 0.05 0.43 0.00 -0.12 0.00 0.00 57.88 58.19 1lr1 h LEU 13 Cb 1.40 0.25 -0.08 0.00 -0.73 0.00 0.00 40.66 41.50 1lr1 h LEU 13 CO 0.15 -0.51 1.00 0.03 -0.62 0.00 0.00 178.44 178.49 1lr1 h ARG 14 N -0.81 0.07 0.03 1.25 3.08 -0.94 0.82 114.38 117.88 1lr1 h ARG 14 Ca -0.06 -0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.89 1lr1 h ARG 14 Cb 0.66 -0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.71 1lr1 h ARG 14 CO 0.05 0.04 -0.42 0.00 -1.07 0.00 0.00 179.97 178.58 1lr1 h ALA 15 N 1.37 0.01 -0.59 0.04 0.00 -1.47 0.88 119.26 119.49 1lr1 h ALA 15 Ca 0.75 -0.54 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 1lr1 h ALA 15 Cb 2.70 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 20.50 1lr1 h ALA 15 CO -0.16 0.19 0.18 1.96 0.00 0.00 0.00 179.25 181.43 1lr1 h GLN 16 N -0.46 0.89 0.00 0.00 4.20 0.12 -1.99 115.11 117.87 1lr1 h GLN 16 Ca -0.06 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.48 1lr1 h GLN 16 Cb 1.21 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.85 1lr1 h GLN 16 CO 0.08 0.77 -0.61 0.00 -0.67 0.00 0.00 178.83 178.40 1lr1 h ALA 17 N 1.33 0.67 -1.67 3.87 0.00 0.30 -3.34 119.26 120.42 1lr1 h ALA 17 Ca 0.19 0.00 0.50 0.00 0.00 0.00 0.00 54.91 55.60 1lr1 h ALA 17 Cb 0.26 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.97 1lr1 h ALA 17 CO -0.01 0.00 1.18 -0.09 0.00 0.00 0.00 179.25 180.33 1lr1 h ARG 18 N 0.00 0.02 -1.19 0.00 2.43 0.16 1.81 114.38 117.60 1lr1 h ARG 18 Ca 0.00 -0.00 -0.68 0.00 -0.81 0.00 0.00 59.98 58.49 1lr1 h ARG 18 Cb 0.94 -0.00 -0.31 0.00 -0.42 0.00 0.00 29.97 30.18 1lr1 h ARG 18 CO 0.00 0.01 0.60 -0.85 -1.51 0.00 0.00 179.97 178.23 1lr1 n GLU 19 N -4.16 2.87 -3.74 0.20 0.28 -1.26 -4.96 120.64 109.87 1lr1 n GLU 19 Ca 0.39 -3.52 0.00 0.00 -0.16 0.00 0.00 57.16 53.87 1lr1 n GLU 19 Cb 1.73 -2.28 -0.00 0.00 1.43 0.00 0.00 31.44 32.32 1lr1 n GLU 19 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1lr1 s SER 20 N -2.01 -0.06 0.73 -1.84 0.15 0.62 -5.15 113.70 106.14 1lr1 s SER 20 Ca 0.60 -0.28 -0.11 0.00 0.70 0.00 0.00 55.95 56.86 1lr1 s SER 20 Cb 0.48 0.27 0.03 0.00 -1.71 0.00 0.00 66.02 65.09 1lr1 s SER 20 CO -0.10 -0.52 1.07 -0.89 1.20 0.00 0.00 173.24 174.01 1lr1 s THR 21 N -2.51 3.71 -0.32 6.45 2.01 -1.26 -4.90 115.64 118.82 1lr1 s THR 21 Ca 0.17 0.55 0.15 0.00 0.31 0.00 0.00 61.69 62.88 1lr1 s THR 21 Cb 0.02 -3.32 0.15 0.00 0.01 0.00 0.00 72.50 69.36 1lr1 s THR 21 CO -0.01 -0.73 1.43 0.00 -0.69 0.00 0.00 174.62 174.63 1lr1 n LEU 22 N -3.21 0.39 -0.27 4.42 -0.00 -1.26 -2.74 117.00 114.33 1lr1 n LEU 22 Ca 0.07 0.65 0.31 0.00 -0.00 0.00 0.00 56.01 57.04 1lr1 n LEU 22 Cb 0.55 -0.69 0.47 0.00 -0.00 0.00 0.00 43.42 43.75 1lr1 n LEU 22 CO 0.56 -0.79 1.27 1.21 -0.00 0.00 0.00 177.39 179.65 1lr1 n GLU 23 N -2.03 0.01 -0.26 1.47 2.13 -1.26 0.14 120.64 120.84 1lr1 n GLU 23 Ca -0.01 1.02 0.06 0.00 0.66 0.00 0.00 57.16 58.89 1lr1 n GLU 23 Cb 0.09 -2.52 0.19 0.00 0.27 0.00 0.00 31.44 29.48 1lr1 n GLU 23 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 1lr1 h THR 24 N 0.00 0.66 -0.42 6.31 2.02 -1.90 0.16 112.91 119.73 1lr1 h THR 24 Ca 0.54 -0.16 -0.07 0.00 0.77 0.00 0.00 66.41 67.49 1lr1 h THR 24 Cb 3.01 0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 69.56 1lr1 h THR 24 CO -0.01 0.08 0.00 0.17 0.37 0.00 0.00 175.52 176.14 1lr1 h LEU 25 N 0.46 0.72 -2.03 2.58 8.10 0.98 0.47 115.31 126.58 1lr1 h LEU 25 Ca 0.42 -0.31 0.13 0.00 0.11 0.00 0.00 57.88 58.24 1lr1 h LEU 25 Cb 0.65 -0.19 -0.02 0.00 -0.44 0.00 0.00 40.66 40.66 1lr1 h LEU 25 CO -0.41 0.85 0.39 -0.08 -4.11 0.00 0.00 178.44 175.08 1lr1 h GLU 26 N 0.57 0.00 0.00 0.17 4.22 -0.84 3.79 114.58 122.49 1lr1 h GLU 26 Ca 0.12 0.00 -0.05 0.00 0.08 0.00 0.00 59.36 59.50 1lr1 h GLU 26 Cb 0.48 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1lr1 h GLU 26 CO 0.02 0.00 -0.36 1.49 -2.18 0.00 0.00 179.01 177.98 1lr1 h GLU 27 N 0.00 0.00 0.06 1.92 4.57 0.44 -3.30 114.58 118.27 1lr1 h GLU 27 Ca 0.21 0.00 -0.26 0.00 -1.18 0.00 0.00 59.36 58.13 1lr1 h GLU 27 Cb 0.99 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.56 1lr1 h GLU 27 CO -0.00 0.64 -1.42 0.52 -1.18 0.00 0.00 179.01 177.57 1lr1 h MET 28 N -1.00 0.13 -0.04 1.92 2.86 0.78 -3.32 114.93 116.26 1lr1 h MET 28 Ca -0.08 -0.22 0.01 0.00 -2.06 0.00 0.00 59.70 57.35 1lr1 h MET 28 Cb 0.78 0.08 -0.00 0.00 0.06 0.00 0.00 31.60 32.52 1lr1 h MET 28 CO -0.05 1.11 0.04 1.25 1.06 0.00 0.00 176.91 180.32 1lr1 h LEU 29 N -0.56 0.00 -0.29 1.22 5.85 0.70 0.40 115.31 122.63 1lr1 h LEU 29 Ca -0.34 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.20 1lr1 h LEU 29 Cb 1.59 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.60 1lr1 h LEU 29 CO -0.06 0.00 -0.86 -0.08 -0.34 0.00 0.00 178.44 177.10 1lr1 h GLU 30 N 0.00 0.07 0.03 1.25 4.57 -1.39 -2.50 114.58 116.61 1lr1 h GLU 30 Ca 0.02 -0.08 -0.28 0.00 -1.18 0.00 0.00 59.36 57.84 1lr1 h GLU 30 Cb 0.10 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.69 1lr1 h GLU 30 CO -0.00 0.89 -1.49 0.87 -1.18 0.00 0.00 179.01 178.09 1lr1 h LYS 31 N 0.04 0.07 0.00 1.92 1.79 -1.16 -2.87 116.57 116.35 1lr1 h LYS 31 Ca -0.02 -0.11 -0.04 0.00 -2.18 0.00 0.00 60.65 58.29 1lr1 h LYS 31 Cb 1.51 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 32.19 1lr1 h LYS 31 CO 0.12 0.80 -0.20 1.25 -1.08 0.00 0.00 179.45 180.34 1lr1 h LEU 32 N 0.02 0.00 0.16 2.94 5.85 -0.33 0.18 115.31 124.12 1lr1 h LEU 32 Ca -0.21 0.00 -0.34 0.00 0.84 0.00 0.00 57.88 58.18 1lr1 h LEU 32 Cb 1.95 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.98 1lr1 h LEU 32 CO 0.11 0.20 -1.69 1.05 -0.34 0.00 0.00 178.44 177.77 1lr1 h GLU 33 N 0.00 0.33 -0.18 1.25 -0.00 -1.49 -3.23 114.58 111.26 1lr1 h GLU 33 Ca -0.00 -0.56 -0.16 0.00 -0.00 0.00 0.00 59.36 58.63 1lr1 h GLU 33 Cb 0.62 0.21 -0.01 0.00 -0.00 0.00 0.00 28.75 29.58 1lr1 h GLU 33 CO 0.03 1.22 -0.56 -0.39 -0.00 0.00 0.00 179.01 179.31 1lr1 h VAL 34 N 0.09 1.33 -0.28 -1.06 -1.51 -1.29 0.89 116.25 114.41 1lr1 h VAL 34 Ca -0.31 -1.82 0.04 0.00 -1.23 0.00 0.00 66.70 63.38 1lr1 h VAL 34 Cb 2.07 1.80 -0.04 0.00 -2.13 0.00 0.00 31.29 32.98 1lr1 h VAL 34 CO 0.17 0.56 0.03 1.62 -1.23 0.00 0.00 177.57 178.72 1lr1 h VAL 35 N 0.41 0.83 0.00 7.19 3.04 -0.77 -1.21 116.25 125.74 1lr1 h VAL 35 Ca 0.01 -0.04 -0.16 0.00 -1.01 0.00 0.00 66.70 65.49 1lr1 h VAL 35 Cb 1.10 0.70 -0.02 0.00 -2.01 0.00 0.00 31.29 31.06 1lr1 h VAL 35 CO 0.10 0.02 -0.76 1.62 -1.01 0.00 0.00 177.57 177.54 1lr1 h VAL 36 N 0.13 1.34 -0.93 1.51 3.04 -1.55 -3.21 116.25 116.58 1lr1 h VAL 36 Ca 0.13 -2.82 0.27 0.00 -1.01 0.00 0.00 66.70 63.28 1lr1 h VAL 36 Cb 0.16 2.61 -0.15 0.00 -2.01 0.00 0.00 31.29 31.90 1lr1 h VAL 36 CO -0.20 0.75 0.28 -1.13 -1.01 0.00 0.00 177.57 176.26 1lr1 h ASN 37 N 0.00 0.02 -0.56 3.17 -0.73 0.20 3.89 115.58 121.58 1lr1 h ASN 37 Ca -0.01 0.22 -0.10 0.00 1.87 0.00 0.00 56.30 58.28 1lr1 h ASN 37 Cb 1.55 0.29 -0.02 0.00 0.27 0.00 0.00 38.32 40.41 1lr1 h ASN 37 CO 0.10 -0.22 -0.03 -0.33 -0.37 0.00 0.00 177.43 176.59 1lr1 h GLU 38 N 0.17 1.00 0.35 6.67 5.08 -1.43 -2.06 114.58 124.36 1lr1 h GLU 38 Ca 0.61 -0.33 -0.02 0.00 -1.00 0.00 0.00 59.36 58.63 1lr1 h GLU 38 Cb 1.32 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1lr1 h GLU 38 CO -0.71 1.01 -0.17 0.00 -1.00 0.00 0.00 179.01 178.15 1lr1 h ARG 39 N 0.88 -0.45 -1.21 2.33 -0.00 0.29 0.00 114.38 116.22 1lr1 h ARG 39 Ca 0.15 0.03 0.37 0.00 -0.50 0.00 0.00 59.98 60.03 1lr1 h ARG 39 Cb 0.58 0.10 -0.11 0.00 0.00 0.00 0.00 29.97 30.54 1lr1 h ARG 39 CO 0.03 -0.14 0.78 0.00 0.00 0.00 0.00 179.97 180.64 1lr1 h ARG 40 N -0.97 0.19 0.00 0.04 2.47 0.65 1.76 114.38 118.52 1lr1 h ARG 40 Ca -0.05 -0.01 -0.10 0.00 -1.26 0.00 0.00 59.98 58.56 1lr1 h ARG 40 Cb 0.52 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.78 1lr1 h ARG 40 CO 0.08 0.13 -0.66 1.49 0.56 0.00 0.00 179.97 181.56 1lr1 h GLU 41 N 0.20 0.00 0.16 0.04 4.81 -1.35 -3.34 114.58 115.11 1lr1 h GLU 41 Ca 0.73 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 59.62 1lr1 h GLU 41 Cb 2.16 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.55 1lr1 h GLU 41 CO -0.36 0.65 -1.72 0.93 -0.73 0.00 0.00 179.01 177.78 1lr1 h GLU 42 N -1.00 0.35 -0.26 1.92 3.07 -0.46 -3.30 114.58 114.90 1lr1 h GLU 42 Ca -0.15 -0.59 0.01 0.00 -0.50 0.00 0.00 59.36 58.12 1lr1 h GLU 42 Cb 0.90 0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 29.01 1lr1 h GLU 42 CO -0.09 1.28 0.16 1.49 -1.40 0.00 0.00 179.01 180.45 1lr1 h GLU 43 N 0.02 0.32 -0.73 2.33 4.57 0.26 0.21 114.58 121.55 1lr1 h GLU 43 Ca -0.35 -0.02 0.14 0.00 -1.18 0.00 0.00 59.36 57.95 1lr1 h GLU 43 Cb 2.02 -0.07 -0.05 0.00 -0.16 0.00 0.00 28.75 30.49 1lr1 h GLU 43 CO 0.14 0.21 0.49 0.77 -1.18 0.00 0.00 179.01 179.44 1lr1 h SER 44 N 0.33 0.40 -0.43 1.04 0.02 -1.57 0.38 113.55 113.73 1lr1 h SER 44 Ca 0.10 0.02 -0.11 0.00 -0.84 0.00 0.00 61.79 60.96 1lr1 h SER 44 Cb -0.02 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 1lr1 h SER 44 CO -0.03 0.22 -0.16 0.00 -1.14 0.00 0.00 176.83 175.72 1lr1 h ALA 45 N 1.65 0.60 -0.75 3.77 0.00 -1.14 -2.37 119.26 121.01 1lr1 h ALA 45 Ca 0.35 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1lr1 h ALA 45 Cb 0.77 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 1lr1 h ALA 45 CO -0.11 0.53 0.25 0.00 0.00 0.00 0.00 179.25 179.92 1lr1 h ALA 46 N 0.84 1.02 -0.42 0.00 0.00 0.26 0.33 119.26 121.30 1lr1 h ALA 46 Ca 0.10 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1lr1 h ALA 46 Cb 0.71 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1lr1 h ALA 46 CO 0.05 0.67 0.21 0.00 0.00 0.00 0.00 179.25 180.18 1lr1 h ALA 47 N 1.15 0.53 -0.07 0.00 0.00 -0.64 -0.88 119.26 119.35 1lr1 h ALA 47 Ca 0.25 -0.10 -0.16 0.00 0.00 0.00 0.00 54.91 54.89 1lr1 h ALA 47 Cb 0.29 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1lr1 h ALA 47 CO -0.01 0.09 -0.67 0.00 0.00 0.00 0.00 179.25 178.66 1lr1 h ALA 48 N 1.06 0.73 -0.25 0.00 0.00 -1.20 -2.98 119.26 116.61 1lr1 h ALA 48 Ca 0.14 -0.58 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 1lr1 h ALA 48 Cb 0.10 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1lr1 h ALA 48 CO -0.02 0.76 0.11 1.49 0.00 0.00 0.00 179.25 181.59 1lr1 h GLU 49 N 0.22 0.38 -0.26 0.00 4.81 -0.00 -3.16 114.58 116.56 1lr1 h GLU 49 Ca -0.02 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.12 1lr1 h GLU 49 Cb 1.21 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.52 1lr1 h GLU 49 CO 0.11 0.40 0.06 -0.24 -0.73 0.00 0.00 179.01 178.61 1lr1 h VAL 50 N 0.26 1.22 -3.51 0.32 3.04 -1.20 -3.43 116.25 112.96 1lr1 h VAL 50 Ca 0.09 -0.72 -0.52 0.00 -1.01 0.00 0.00 66.70 64.54 1lr1 h VAL 50 Cb 0.16 1.19 0.01 0.00 -2.01 0.00 0.00 31.29 30.64 1lr1 h VAL 50 CO -0.01 0.23 0.54 -1.83 -1.01 0.00 0.00 177.57 175.49 1lr1 s GLU 51 N -5.27 4.52 0.08 4.17 -1.05 -1.13 -4.71 118.70 115.32 1lr1 s GLU 51 Ca -0.14 1.84 0.00 0.00 -0.15 0.00 0.00 54.97 56.52 1lr1 s GLU 51 Cb 0.08 -3.25 0.00 0.00 -0.44 0.00 0.00 34.13 30.52 1lr1 s GLU 51 CO 0.74 -0.05 0.00 -1.91 0.95 0.00 0.00 175.26 174.99 1lr1 n GLU 52 N 2.47 0.00 -2.66 -4.83 0.00 -1.26 -4.85 120.64 109.51 1lr1 n GLU 52 Ca 0.04 0.00 -0.03 0.00 0.00 0.00 0.00 57.16 57.17 1lr1 n GLU 52 Cb 0.45 0.00 0.02 0.00 0.00 0.00 0.00 31.44 31.91 1lr1 n GLU 52 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 1lr1 n ARG 53 N -2.65 0.11 -1.90 5.31 0.63 -1.26 -5.13 116.66 111.77 1lr1 n ARG 53 Ca 0.00 -0.62 0.00 0.00 -0.92 0.00 0.00 57.85 56.31 1lr1 n ARG 53 Cb 0.00 -0.03 0.00 0.00 0.45 0.00 0.00 32.46 32.88 1lr1 n ARG 53 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1lr1 n THR 54 N -0.20 -5.85 0.00 5.15 -2.24 -1.26 -5.01 114.28 104.86 1lr1 n THR 54 Ca -0.22 2.71 0.00 0.00 -2.27 0.00 0.00 64.05 64.27 1lr1 n THR 54 Cb 0.67 -3.55 0.00 0.00 -2.10 0.00 0.00 70.33 65.35 1lr1 n THR 54 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1lr1 n ARG 55 N 0.21 3.40 -1.99 -0.78 1.74 -1.26 -4.90 116.66 113.08 1lr1 n ARG 55 Ca 0.00 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.67 1lr1 n ARG 55 Cb 0.00 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.42 1lr1 n ARG 55 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1lr1 s LYS 56 N 0.00 4.25 0.00 5.56 1.02 -1.26 -5.22 119.74 124.09 1lr1 s LYS 56 Ca 0.00 2.33 0.00 0.00 0.02 0.00 0.00 55.97 58.32 1lr1 s LYS 56 Cb 0.00 -3.10 0.00 0.00 -0.52 0.00 0.00 37.83 34.21 1lr1 s LYS 56 CO 0.00 -0.44 0.00 1.28 -0.92 0.00 0.00 175.35 175.27