#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 0.02 0.00 1.43 4.57 -2.04 -1.00 114.58 117.56 1lr1 h GLU 2 Ca 0.00 -0.03 -0.13 0.00 -1.18 0.00 0.00 59.36 58.02 1lr1 h GLU 2 Cb 0.00 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.58 1lr1 h GLU 2 CO 0.00 0.96 -0.61 0.00 -1.18 0.00 0.00 179.01 178.17 1lr1 h ALA 3 N 0.97 0.65 0.19 2.92 0.00 -2.01 0.04 119.26 122.02 1lr1 h ALA 3 Ca -0.05 -0.56 -0.33 0.00 0.00 0.00 0.00 54.91 53.97 1lr1 h ALA 3 Cb 1.81 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 19.51 1lr1 h ALA 3 CO 0.13 0.77 -1.64 -0.07 0.00 0.00 0.00 179.25 178.44 1lr1 h LEU 4 N 0.00 0.62 -0.13 0.00 -0.00 -1.98 -3.26 115.31 110.56 1lr1 h LEU 4 Ca -0.01 -0.93 -0.24 0.00 -0.00 0.00 0.00 57.88 56.71 1lr1 h LEU 4 Cb 1.40 -0.20 0.01 0.00 -0.00 0.00 0.00 40.66 41.87 1lr1 h LEU 4 CO 0.08 1.74 -0.98 0.50 -0.00 0.00 0.00 178.44 179.78 1lr1 h LYS 5 N 0.04 0.44 0.00 1.13 1.63 -1.23 0.62 116.57 119.21 1lr1 h LYS 5 Ca -0.32 -0.49 0.03 0.00 -0.85 0.00 0.00 60.65 59.02 1lr1 h LYS 5 Cb 2.05 0.14 -0.04 0.00 -0.60 0.00 0.00 32.23 33.78 1lr1 h LYS 5 CO 0.17 1.15 -0.22 0.97 -3.45 0.00 0.00 179.45 178.07 1lr1 h ILE 6 N 0.24 0.49 0.00 2.00 -0.00 -1.13 -0.55 117.51 118.56 1lr1 h ILE 6 Ca -0.09 0.00 -0.11 0.00 -0.00 0.00 0.00 64.86 64.66 1lr1 h ILE 6 Cb 1.62 0.49 -0.02 0.00 -0.00 0.00 0.00 36.82 38.92 1lr1 h ILE 6 CO 0.17 0.00 -0.54 0.25 -0.00 0.00 0.00 178.15 178.04 1lr1 h LEU 7 N -0.35 0.00 0.00 2.19 6.46 -1.61 -3.46 115.31 118.54 1lr1 h LEU 7 Ca 0.06 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.82 1lr1 h LEU 7 Cb 0.43 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.36 1lr1 h LEU 7 CO -0.20 0.54 0.00 0.59 -0.62 0.00 0.00 178.44 178.75 1lr1 n ASN 8 N -3.48 -3.14 -1.34 1.25 4.13 0.21 -4.34 115.26 108.55 1lr1 n ASN 8 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1lr1 n ASN 8 Cb 0.64 -2.25 0.00 0.00 -1.54 0.00 0.00 39.78 36.63 1lr1 n ASN 8 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1lr1 n ASN 9 N -0.43 -6.52 -0.07 6.41 3.02 -0.67 -4.39 115.26 112.61 1lr1 n ASN 9 Ca 0.00 0.86 0.26 0.00 -0.03 0.00 0.00 54.58 55.66 1lr1 n ASN 9 Cb 0.21 -3.21 0.70 0.00 -0.61 0.00 0.00 39.78 36.87 1lr1 n ASN 9 CO 0.00 0.00 0.00 0.16 -2.62 0.00 0.00 177.26 174.80 1lr1 h ILE 10 N 2.35 0.36 -0.14 2.41 -2.65 -1.93 -1.38 117.51 116.53 1lr1 h ILE 10 Ca 0.00 0.00 0.05 0.00 1.03 0.00 0.00 64.86 65.94 1lr1 h ILE 10 Cb 0.00 0.50 -0.05 0.00 -2.05 0.00 0.00 36.82 35.22 1lr1 h ILE 10 CO 0.00 0.00 -0.18 0.08 0.03 0.00 0.00 178.15 178.08 1lr1 h ARG 11 N 0.00 -0.22 0.00 0.16 0.11 -1.94 0.09 114.38 112.58 1lr1 h ARG 11 Ca 0.34 0.01 -0.26 0.00 0.10 0.00 0.00 59.98 60.18 1lr1 h ARG 11 Cb 1.65 0.05 -0.04 0.00 1.11 0.00 0.00 29.97 32.74 1lr1 h ARG 11 CO -0.00 -0.15 -1.47 0.00 0.10 0.00 0.00 179.97 178.45 1lr1 h THR 12 N -0.23 1.10 0.90 0.08 1.03 -1.57 -3.38 112.91 110.84 1lr1 h THR 12 Ca 0.10 -2.89 -0.04 0.00 -0.01 0.00 0.00 66.41 63.57 1lr1 h THR 12 Cb 0.38 2.53 0.01 0.00 -1.07 0.00 0.00 68.15 70.00 1lr1 h THR 12 CO -0.28 0.62 -0.43 0.25 -0.01 0.00 0.00 175.52 175.68 1lr1 h LEU 13 N 0.00 -1.03 -1.81 0.00 6.46 -1.07 0.17 115.31 118.02 1lr1 h LEU 13 Ca -0.19 0.04 0.42 0.00 -0.12 0.00 0.00 57.88 58.02 1lr1 h LEU 13 Cb 1.92 0.27 -0.08 0.00 -0.73 0.00 0.00 40.66 42.04 1lr1 h LEU 13 CO 0.09 -0.69 0.99 0.03 -0.62 0.00 0.00 178.44 178.24 1lr1 h ARG 14 N -1.30 0.06 0.04 1.25 3.08 -1.17 0.69 114.38 117.03 1lr1 h ARG 14 Ca -0.12 -0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.87 1lr1 h ARG 14 Cb 0.93 -0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.97 1lr1 h ARG 14 CO 0.20 0.04 -0.23 0.00 -1.07 0.00 0.00 179.97 178.92 1lr1 h ALA 15 N 1.36 -0.02 -0.45 0.04 0.00 -1.66 0.40 119.26 118.92 1lr1 h ALA 15 Ca 0.72 -0.55 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 1lr1 h ALA 15 Cb 2.66 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 20.45 1lr1 h ALA 15 CO -0.12 0.10 0.08 -0.56 0.00 0.00 0.00 179.25 178.75 1lr1 h GLN 16 N -0.80 0.69 0.00 0.00 3.07 0.14 -1.98 115.11 116.23 1lr1 h GLN 16 Ca -0.04 -0.14 -0.02 0.00 0.09 0.00 0.00 58.65 58.54 1lr1 h GLN 16 Cb 1.17 -0.10 -0.00 0.00 0.08 0.00 0.00 27.48 28.62 1lr1 h GLN 16 CO 0.04 0.65 -0.71 0.00 0.09 0.00 0.00 178.83 178.91 1lr1 h ALA 17 N 1.42 0.67 -1.41 0.06 0.00 0.12 -3.34 119.26 116.79 1lr1 h ALA 17 Ca 0.15 -0.11 0.42 0.00 0.00 0.00 0.00 54.91 55.36 1lr1 h ALA 17 Cb 0.30 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.03 1lr1 h ALA 17 CO 0.00 0.13 0.98 -0.09 0.00 0.00 0.00 179.25 180.28 1lr1 h ARG 18 N 0.00 0.07 -1.08 0.00 2.43 0.62 1.25 114.38 117.67 1lr1 h ARG 18 Ca -0.02 -0.00 -0.32 0.00 -0.81 0.00 0.00 59.98 58.83 1lr1 h ARG 18 Cb 1.08 -0.01 -0.18 0.00 -0.42 0.00 0.00 29.97 30.44 1lr1 h ARG 18 CO 0.01 0.04 0.41 -0.85 -1.51 0.00 0.00 179.97 178.07 1lr1 n GLU 19 N -4.28 1.78 -0.35 0.20 0.28 -1.25 -4.91 120.64 112.11 1lr1 n GLU 19 Ca 0.33 -1.78 0.00 0.00 -0.16 0.00 0.00 57.16 55.55 1lr1 n GLU 19 Cb 1.45 -1.70 0.00 0.00 1.43 0.00 0.00 31.44 32.62 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 -0.35 0.00 -4.93 -1.84 7.64 0.43 -5.16 113.62 109.40 1lr1 n SER 20 Ca 0.35 -0.28 -0.25 0.00 1.01 0.00 0.00 58.87 59.70 1lr1 n SER 20 Cb 1.07 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 64.27 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 -2.77 4.86 -0.33 0.44 2.01 -1.26 -4.95 115.64 113.65 1lr1 s THR 21 Ca 0.00 -0.27 0.18 0.00 0.31 0.00 0.00 61.69 61.90 1lr1 s THR 21 Cb 0.00 -3.80 0.18 0.00 0.01 0.00 0.00 72.50 68.88 1lr1 s THR 21 CO 0.00 -0.61 1.53 0.00 -0.69 0.00 0.00 174.62 174.86 1lr1 n LEU 22 N -1.98 0.46 -0.28 4.42 -0.00 -1.26 -2.84 117.00 115.53 1lr1 n LEU 22 Ca -0.02 0.71 0.31 0.00 -0.00 0.00 0.00 56.01 57.01 1lr1 n LEU 22 Cb 0.56 -0.77 0.48 0.00 -0.00 0.00 0.00 43.42 43.69 1lr1 n LEU 22 CO 0.50 -0.87 1.28 -1.84 -0.00 0.00 0.00 177.39 176.46 1lr1 n GLU 23 N -2.12 0.01 -0.31 1.47 -0.00 -1.26 0.15 120.64 118.59 1lr1 n GLU 23 Ca -0.01 1.03 0.10 0.00 -0.00 0.00 0.00 57.16 58.27 1lr1 n GLU 23 Cb 0.04 -2.53 0.26 0.00 -0.00 0.00 0.00 31.44 29.21 1lr1 n GLU 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1lr1 h THR 24 N 0.00 0.66 -0.37 3.84 1.03 -1.93 0.29 112.91 116.43 1lr1 h THR 24 Ca 0.55 -0.20 -0.12 0.00 -0.01 0.00 0.00 66.41 66.63 1lr1 h THR 24 Cb 3.04 0.02 -0.01 0.00 -1.07 0.00 0.00 68.15 70.13 1lr1 h THR 24 CO -0.01 0.11 -0.23 0.17 -0.01 0.00 0.00 175.52 175.55 1lr1 h LEU 25 N 0.59 0.84 -2.20 0.00 8.10 0.11 0.25 115.31 122.99 1lr1 h LEU 25 Ca 0.50 -0.42 0.05 0.00 0.11 0.00 0.00 57.88 58.12 1lr1 h LEU 25 Cb 0.79 -0.23 -0.01 0.00 -0.44 0.00 0.00 40.66 40.77 1lr1 h LEU 25 CO -0.41 1.08 0.25 -0.08 -4.11 0.00 0.00 178.44 175.18 1lr1 h GLU 26 N 0.60 0.00 0.00 0.17 4.81 -0.59 3.92 114.58 123.49 1lr1 h GLU 26 Ca 0.08 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.24 1lr1 h GLU 26 Cb 0.79 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.16 1lr1 h GLU 26 CO 0.06 0.00 -0.43 1.49 -0.73 0.00 0.00 179.01 179.41 1lr1 h GLU 27 N 0.00 0.00 0.05 1.92 4.81 0.26 -3.30 114.58 118.32 1lr1 h GLU 27 Ca 0.09 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 59.06 1lr1 h GLU 27 Cb 0.59 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.95 1lr1 h GLU 27 CO -0.00 0.64 -1.42 0.52 -0.73 0.00 0.00 179.01 178.02 1lr1 h MET 28 N -1.00 0.10 0.00 1.92 2.86 0.42 -3.32 114.93 115.92 1lr1 h MET 28 Ca -0.10 -0.18 -0.00 0.00 -2.06 0.00 0.00 59.70 57.36 1lr1 h MET 28 Cb 0.80 0.07 -0.00 0.00 0.06 0.00 0.00 31.60 32.52 1lr1 h MET 28 CO -0.06 1.08 -0.01 1.25 1.06 0.00 0.00 176.91 180.24 1lr1 h LEU 29 N -0.63 0.00 -0.12 1.22 5.85 0.73 0.51 115.31 122.87 1lr1 h LEU 29 Ca -0.35 0.00 -0.22 0.00 0.84 0.00 0.00 57.88 58.16 1lr1 h LEU 29 Cb 1.54 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.56 1lr1 h LEU 29 CO -0.09 0.01 -0.99 -0.08 -0.34 0.00 0.00 178.44 176.95 1lr1 h GLU 30 N 0.00 0.15 0.06 1.25 4.81 -1.33 -2.92 114.58 116.61 1lr1 h GLU 30 Ca -0.00 -0.21 -0.30 0.00 -0.13 0.00 0.00 59.36 58.72 1lr1 h GLU 30 Cb 0.04 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 1lr1 h GLU 30 CO 0.00 1.02 -1.59 0.87 -0.73 0.00 0.00 179.01 178.58 1lr1 h LYS 31 N 0.07 0.13 0.00 1.92 1.79 -1.19 -2.97 116.57 116.32 1lr1 h LYS 31 Ca -0.05 -0.23 -0.03 0.00 -2.18 0.00 0.00 60.65 58.16 1lr1 h LYS 31 Cb 1.68 0.08 -0.00 0.00 -1.58 0.00 0.00 32.23 32.41 1lr1 h LYS 31 CO 0.15 0.90 -0.13 1.25 -1.08 0.00 0.00 179.45 180.54 1lr1 h LEU 32 N 0.04 0.00 0.12 2.94 5.85 -0.14 0.21 115.31 124.32 1lr1 h LEU 32 Ca -0.25 0.00 -0.26 0.00 0.84 0.00 0.00 57.88 58.21 1lr1 h LEU 32 Cb 1.99 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.02 1lr1 h LEU 32 CO 0.12 0.13 -1.31 1.05 -0.34 0.00 0.00 178.44 178.08 1lr1 h GLU 33 N 0.00 0.25 -0.13 1.25 4.11 -1.58 -3.31 114.58 115.18 1lr1 h GLU 33 Ca -0.00 -0.43 -0.05 0.00 0.07 0.00 0.00 59.36 58.94 1lr1 h GLU 33 Cb 0.33 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1lr1 h GLU 33 CO 0.02 1.21 -0.16 -0.39 0.07 0.00 0.00 179.01 179.75 1lr1 h VAL 34 N -0.32 1.18 -0.58 -1.06 -1.51 -1.31 0.55 116.25 113.21 1lr1 h VAL 34 Ca -0.28 -0.83 0.06 0.00 -1.23 0.00 0.00 66.70 64.42 1lr1 h VAL 34 Cb 1.74 1.27 -0.05 0.00 -2.13 0.00 0.00 31.29 32.12 1lr1 h VAL 34 CO 0.07 0.25 0.29 -0.37 -1.23 0.00 0.00 177.57 176.59 1lr1 h VAL 35 N 0.19 0.92 0.01 7.19 -1.51 -0.70 -0.97 116.25 121.38 1lr1 h VAL 35 Ca 0.04 -0.19 -0.22 0.00 -1.23 0.00 0.00 66.70 65.10 1lr1 h VAL 35 Cb 0.41 0.33 0.00 0.00 -2.13 0.00 0.00 31.29 29.90 1lr1 h VAL 35 CO 0.03 0.10 -0.96 0.58 -1.23 0.00 0.00 177.57 176.09 1lr1 h VAL 36 N 0.55 1.43 -1.04 7.19 2.07 -1.44 -2.92 116.25 122.09 1lr1 h VAL 36 Ca 0.27 -2.53 0.37 0.00 0.82 0.00 0.00 66.70 65.62 1lr1 h VAL 36 Cb 0.20 2.47 -0.16 0.00 -1.52 0.00 0.00 31.29 32.28 1lr1 h VAL 36 CO -0.19 0.75 0.59 -1.13 0.02 0.00 0.00 177.57 177.61 1lr1 h ASN 37 N 0.19 0.42 -0.01 0.57 -1.24 0.14 4.36 115.58 120.01 1lr1 h ASN 37 Ca -0.08 0.21 -0.10 0.00 0.71 0.00 0.00 56.30 57.04 1lr1 h ASN 37 Cb 1.60 0.18 0.01 0.00 0.73 0.00 0.00 38.32 40.84 1lr1 h ASN 37 CO 0.16 -0.25 -0.40 -0.33 -1.29 0.00 0.00 177.43 175.32 1lr1 h GLU 38 N 0.18 0.29 0.08 6.67 5.08 -1.29 -3.17 114.58 122.43 1lr1 h GLU 38 Ca 0.78 -0.30 -0.00 0.00 -1.00 0.00 0.00 59.36 58.84 1lr1 h GLU 38 Cb 1.97 0.08 0.00 0.00 0.50 0.00 0.00 28.75 31.31 1lr1 h GLU 38 CO -0.64 0.99 -0.04 0.00 -1.00 0.00 0.00 179.01 178.32 1lr1 h ARG 39 N -0.30 -0.11 -1.09 2.33 -0.00 0.87 0.17 114.38 116.26 1lr1 h ARG 39 Ca -0.05 0.01 0.37 0.00 -0.50 0.00 0.00 59.98 59.81 1lr1 h ARG 39 Cb 1.13 0.02 -0.15 0.00 0.00 0.00 0.00 29.97 30.97 1lr1 h ARG 39 CO 0.08 0.43 0.64 0.00 0.00 0.00 0.00 179.97 181.12 1lr1 h ARG 40 N -0.77 0.18 0.09 0.04 2.47 0.79 3.03 114.38 120.21 1lr1 h ARG 40 Ca -0.01 -0.01 -0.23 0.00 -1.26 0.00 0.00 59.98 58.46 1lr1 h ARG 40 Cb 0.59 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.86 1lr1 h ARG 40 CO 0.02 0.12 -1.20 0.93 0.56 0.00 0.00 179.97 180.40 1lr1 h GLU 41 N 0.19 0.19 0.12 0.04 4.39 -1.55 -3.30 114.58 114.65 1lr1 h GLU 41 Ca 0.78 -0.32 -0.26 0.00 0.34 0.00 0.00 59.36 59.90 1lr1 h GLU 41 Cb 2.04 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 30.81 1lr1 h GLU 41 CO -0.58 1.15 -1.29 0.93 -1.16 0.00 0.00 179.01 178.06 1lr1 h GLU 42 N -0.48 0.26 -0.38 2.33 4.39 0.65 -3.28 114.58 118.07 1lr1 h GLU 42 Ca -0.27 -0.44 0.05 0.00 0.34 0.00 0.00 59.36 59.05 1lr1 h GLU 42 Cb 1.60 0.16 -0.05 0.00 -0.10 0.00 0.00 28.75 30.37 1lr1 h GLU 42 CO 0.02 1.21 0.10 1.49 -1.16 0.00 0.00 179.01 180.67 1lr1 h GLU 43 N -0.32 0.23 -0.78 2.33 4.22 0.53 0.29 114.58 121.08 1lr1 h GLU 43 Ca -0.27 -0.01 0.10 0.00 0.08 0.00 0.00 59.36 59.26 1lr1 h GLU 43 Cb 1.74 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 30.88 1lr1 h GLU 43 CO 0.08 0.15 0.51 0.66 -2.18 0.00 0.00 179.01 178.23 1lr1 h SER 44 N 0.24 0.61 -0.59 1.04 4.64 -1.62 0.27 113.55 118.13 1lr1 h SER 44 Ca 0.18 0.02 -0.09 0.00 -0.47 0.00 0.00 61.79 61.42 1lr1 h SER 44 Cb 0.19 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.15 1lr1 h SER 44 CO -0.21 0.35 0.01 0.00 -0.87 0.00 0.00 176.83 176.11 1lr1 h ALA 45 N 1.61 0.79 -0.78 5.18 0.00 -0.87 -2.68 119.26 122.52 1lr1 h ALA 45 Ca 0.36 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1lr1 h ALA 45 Cb 0.51 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1lr1 h ALA 45 CO -0.14 0.62 0.29 0.00 0.00 0.00 0.00 179.25 180.01 1lr1 h ALA 46 N 0.98 1.03 -0.99 0.00 0.00 0.27 0.36 119.26 120.92 1lr1 h ALA 46 Ca 0.17 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.90 1lr1 h ALA 46 Cb 0.54 -0.30 -0.06 0.00 0.00 0.00 0.00 17.79 17.97 1lr1 h ALA 46 CO 0.03 0.67 0.65 0.00 0.00 0.00 0.00 179.25 180.60 1lr1 h ALA 47 N 1.16 1.30 0.06 0.00 0.00 -0.67 -0.52 119.26 120.59 1lr1 h ALA 47 Ca 0.26 -0.05 -0.24 0.00 0.00 0.00 0.00 54.91 54.88 1lr1 h ALA 47 Cb 0.25 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1lr1 h ALA 47 CO -0.02 0.57 -1.09 0.00 0.00 0.00 0.00 179.25 178.71 1lr1 h ALA 48 N 1.39 0.26 -0.37 0.00 0.00 -1.12 -3.28 119.26 116.13 1lr1 h ALA 48 Ca 0.39 -0.88 -0.05 0.00 0.00 0.00 0.00 54.91 54.37 1lr1 h ALA 48 Cb -0.04 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1lr1 h ALA 48 CO -0.11 1.08 0.02 1.49 0.00 0.00 0.00 179.25 181.73 1lr1 h GLU 49 N 0.05 0.57 -3.08 0.00 4.81 0.43 -3.29 114.58 114.07 1lr1 h GLU 49 Ca -0.07 -0.12 -0.39 0.00 -0.13 0.00 0.00 59.36 58.66 1lr1 h GLU 49 Cb 1.83 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 31.13 1lr1 h GLU 49 CO 0.16 0.58 2.26 1.33 -0.73 0.00 0.00 179.01 182.61 1lr1 n VAL 50 N -4.28 2.77 -1.66 0.32 0.24 -0.27 -4.93 118.33 110.52 1lr1 n VAL 50 Ca 0.02 -1.61 -0.40 0.00 -2.04 0.00 0.00 64.34 60.31 1lr1 n VAL 50 Cb 0.24 -2.17 0.02 0.00 -1.47 0.00 0.00 33.84 30.46 1lr1 n VAL 50 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 1lr1 n GLU 51 N 3.70 1.51 0.00 7.34 0.28 -1.24 -4.91 120.64 127.31 1lr1 n GLU 51 Ca 0.49 0.55 0.00 0.00 -0.16 0.00 0.00 57.16 58.03 1lr1 n GLU 51 Cb 0.27 -2.25 0.00 0.00 1.43 0.00 0.00 31.44 30.89 1lr1 n GLU 51 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1lr1 n GLU 52 N -0.26 0.00 -0.13 3.44 -0.58 -1.26 -4.87 120.64 116.97 1lr1 n GLU 52 Ca 0.09 0.00 -0.07 0.00 -0.42 0.00 0.00 57.16 56.77 1lr1 n GLU 52 Cb 0.42 -0.52 0.02 0.00 -0.57 0.00 0.00 31.44 30.78 1lr1 n GLU 52 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 1lr1 h ARG 53 N 0.00 0.48 -6.63 3.49 1.12 -2.03 -3.42 114.38 107.39 1lr1 h ARG 53 Ca 0.00 -0.03 -0.52 0.00 -1.11 0.00 0.00 59.98 58.32 1lr1 h ARG 53 Cb 0.18 -0.11 0.05 0.00 -0.01 0.00 0.00 29.97 30.08 1lr1 h ARG 53 CO 0.00 0.32 1.00 0.95 -3.11 0.00 0.00 179.97 179.13 1lr1 s THR 54 N -6.15 2.17 0.32 0.20 -4.23 -1.26 -4.94 115.64 101.75 1lr1 s THR 54 Ca -0.13 0.09 -0.29 0.00 -1.18 0.00 0.00 61.69 60.18 1lr1 s THR 54 Cb 0.12 -3.06 -0.10 0.00 1.34 0.00 0.00 72.50 70.80 1lr1 s THR 54 CO 0.72 0.01 1.34 0.00 -0.54 0.00 0.00 174.62 176.15 1lr1 s ARG 55 N 1.35 4.32 -0.36 3.99 3.03 -1.26 -4.93 118.95 125.08 1lr1 s ARG 55 Ca 0.75 2.26 0.05 0.00 2.03 0.00 0.00 55.73 60.81 1lr1 s ARG 55 Cb -0.48 -3.07 0.25 0.00 -1.03 0.00 0.00 34.95 30.62 1lr1 s ARG 55 CO 0.32 -0.25 1.23 1.17 -1.13 0.00 0.00 175.30 176.65 1lr1 n LYS 56 N 0.96 0.51 0.00 3.89 0.00 -1.26 -5.16 118.16 117.10 1lr1 n LYS 56 Ca 0.01 -1.13 0.01 0.00 0.00 0.00 0.00 58.31 57.20 1lr1 n LYS 56 Cb 0.41 -0.24 0.08 0.00 0.00 0.00 0.00 35.03 35.29 1lr1 n LYS 56 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68