#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 -2.03 -1.69 114.58 114.21 1lr1 h GLU 2 Ca 0.00 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.10 1lr1 h GLU 2 Cb 0.00 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 1lr1 h GLU 2 CO 0.00 0.67 -0.63 0.00 -0.73 0.00 0.00 179.01 178.31 1lr1 h ALA 3 N 1.33 0.63 0.14 2.92 0.00 -2.01 0.30 119.26 122.57 1lr1 h ALA 3 Ca -0.01 -0.58 -0.33 0.00 0.00 0.00 0.00 54.91 54.00 1lr1 h ALA 3 Cb 1.52 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.21 1lr1 h ALA 3 CO 0.09 0.79 -1.63 -0.07 0.00 0.00 0.00 179.25 178.43 1lr1 h LEU 4 N 0.00 0.48 0.00 0.00 -0.00 -1.99 -3.36 115.31 110.44 1lr1 h LEU 4 Ca -0.01 -0.69 -0.19 0.00 -0.00 0.00 0.00 57.88 56.99 1lr1 h LEU 4 Cb 1.43 -0.16 -0.03 0.00 -0.00 0.00 0.00 40.66 41.91 1lr1 h LEU 4 CO 0.08 1.58 -1.17 0.50 -0.00 0.00 0.00 178.44 179.44 1lr1 h LYS 5 N 0.08 0.00 -0.10 1.13 3.11 -1.34 0.10 116.57 119.55 1lr1 h LYS 5 Ca -0.29 0.00 0.04 0.00 -2.81 0.00 0.00 60.65 57.60 1lr1 h LYS 5 Cb 2.05 0.00 -0.05 0.00 -1.00 0.00 0.00 32.23 33.23 1lr1 h LYS 5 CO 0.17 0.54 -0.22 0.97 -2.81 0.00 0.00 179.45 178.10 1lr1 h ILE 6 N 0.00 0.47 -0.00 2.00 -0.00 -0.54 -1.69 117.51 117.75 1lr1 h ILE 6 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.74 1lr1 h ILE 6 Cb 1.67 0.47 0.00 0.00 -0.00 0.00 0.00 36.82 38.96 1lr1 h ILE 6 CO 0.08 0.00 -0.67 0.00 -0.00 0.00 0.00 178.15 177.56 1lr1 n LEU 7 N -5.35 1.00 -1.98 2.19 -0.00 -1.26 -4.95 117.00 106.66 1lr1 n LEU 7 Ca -0.03 -0.35 -0.18 0.00 -0.00 0.00 0.00 56.01 55.44 1lr1 n LEU 7 Cb 0.26 -0.09 -0.02 0.00 -0.00 0.00 0.00 43.42 43.57 1lr1 n LEU 7 CO 0.20 0.22 -0.22 0.59 -0.00 0.00 0.00 177.39 178.18 1lr1 n ASN 8 N -1.17 -5.26 -1.62 1.45 4.13 -0.16 -4.55 115.26 108.08 1lr1 n ASN 8 Ca 0.06 0.05 0.00 0.00 1.68 0.00 0.00 54.58 56.37 1lr1 n ASN 8 Cb 0.36 -4.34 0.00 0.00 -1.54 0.00 0.00 39.78 34.26 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 -1.39 -8.43 0.33 6.41 5.03 0.17 -4.31 115.26 113.07 1lr1 n ASN 9 Ca -0.21 1.16 0.21 0.00 0.87 0.00 0.00 54.58 56.61 1lr1 n ASN 9 Cb 0.65 -4.23 1.15 0.00 -1.02 0.00 0.00 39.78 36.33 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 2.66 0.11 0.59 2.41 -2.65 -1.91 -2.27 117.51 116.45 1lr1 h ILE 10 Ca 0.00 0.00 -0.03 0.00 1.03 0.00 0.00 64.86 65.86 1lr1 h ILE 10 Cb 0.00 0.98 0.01 0.00 -2.05 0.00 0.00 36.82 35.76 1lr1 h ILE 10 CO 0.00 0.00 -0.28 0.08 0.03 0.00 0.00 178.15 177.98 1lr1 h ARG 11 N 0.00 -0.76 0.04 0.16 0.11 -1.95 0.11 114.38 112.08 1lr1 h ARG 11 Ca 0.00 0.05 -0.22 0.00 0.10 0.00 0.00 59.98 59.91 1lr1 h ARG 11 Cb 0.03 0.17 -0.02 0.00 1.11 0.00 0.00 29.97 31.27 1lr1 h ARG 11 CO -0.00 -0.50 -1.02 0.00 0.10 0.00 0.00 179.97 178.55 1lr1 h THR 12 N -0.80 1.60 -0.36 0.08 1.03 -1.72 -3.29 112.91 109.45 1lr1 h THR 12 Ca -0.08 -3.09 -0.01 0.00 -0.01 0.00 0.00 66.41 63.23 1lr1 h THR 12 Cb 0.61 2.76 -0.02 0.00 -1.07 0.00 0.00 68.15 70.43 1lr1 h THR 12 CO 0.13 0.89 0.20 0.25 -0.01 0.00 0.00 175.52 176.99 1lr1 h LEU 13 N 0.04 0.45 -1.13 0.00 6.46 -1.38 0.16 115.31 119.92 1lr1 h LEU 13 Ca -0.05 -0.08 0.37 0.00 -0.12 0.00 0.00 57.88 58.00 1lr1 h LEU 13 Cb 1.73 -0.11 -0.15 0.00 -0.73 0.00 0.00 40.66 41.40 1lr1 h LEU 13 CO 0.15 0.40 0.64 -0.09 -0.62 0.00 0.00 178.44 178.92 1lr1 h ARG 14 N 0.46 0.18 0.14 1.25 9.65 -0.85 0.95 114.38 126.17 1lr1 h ARG 14 Ca 0.13 -0.01 -0.33 0.00 -1.10 0.00 0.00 59.98 58.66 1lr1 h ARG 14 Cb 0.04 -0.04 -0.00 0.00 -1.39 0.00 0.00 29.97 28.58 1lr1 h ARG 14 CO -0.02 0.12 -1.72 0.00 2.80 0.00 0.00 179.97 181.15 1lr1 h ALA 15 N 1.81 0.25 -0.85 2.80 0.00 -1.58 -1.29 119.26 120.40 1lr1 h ALA 15 Ca 0.78 -1.21 0.09 0.00 0.00 0.00 0.00 54.91 54.57 1lr1 h ALA 15 Cb 2.04 0.55 -0.07 0.00 0.00 0.00 0.00 17.79 20.31 1lr1 h ALA 15 CO -0.58 1.05 0.50 0.37 0.00 0.00 0.00 179.25 180.59 1lr1 h GLN 16 N -0.05 0.83 0.00 0.00 4.15 0.24 -0.59 115.11 119.69 1lr1 h GLN 16 Ca -0.36 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.01 1lr1 h GLN 16 Cb 1.96 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 29.47 1lr1 h GLN 16 CO 0.10 0.55 -0.83 0.00 -1.93 0.00 0.00 178.83 176.73 1lr1 h ALA 17 N 1.45 0.58 -1.57 3.38 0.00 0.61 -3.35 119.26 120.36 1lr1 h ALA 17 Ca 0.40 0.00 0.45 0.00 0.00 0.00 0.00 54.91 55.76 1lr1 h ALA 17 Cb 0.32 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.05 1lr1 h ALA 17 CO -0.23 0.00 1.13 -0.09 0.00 0.00 0.00 179.25 180.06 1lr1 h ARG 18 N 0.00 0.00 -1.15 0.00 9.65 0.15 1.21 114.38 124.23 1lr1 h ARG 18 Ca 0.00 0.00 -0.42 0.00 -1.10 0.00 0.00 59.98 58.46 1lr1 h ARG 18 Cb 0.98 0.00 -0.21 0.00 -1.39 0.00 0.00 29.97 29.35 1lr1 h ARG 18 CO 0.00 0.00 0.54 -0.85 2.80 0.00 0.00 179.97 182.46 1lr1 n GLU 19 N -4.06 2.04 -0.53 0.20 0.28 -1.24 -4.93 120.64 112.40 1lr1 n GLU 19 Ca 0.35 -2.21 0.00 0.00 -0.16 0.00 0.00 57.16 55.13 1lr1 n GLU 19 Cb 1.62 -1.87 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 -1.13 -0.16 0.00 0.00 177.13 175.84 1lr1 n SER 20 N -0.42 0.00 -4.98 -1.84 3.41 0.42 -5.16 113.62 105.05 1lr1 n SER 20 Ca 0.43 -0.35 -0.20 0.00 -0.26 0.00 0.00 58.87 58.48 1lr1 n SER 20 Cb 0.96 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.92 1lr1 n SER 20 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1lr1 s THR 21 N -2.52 3.80 -0.15 6.66 2.01 -1.26 -4.97 115.64 119.22 1lr1 s THR 21 Ca 0.00 -0.79 0.23 0.00 0.31 0.00 0.00 61.69 61.44 1lr1 s THR 21 Cb 0.00 -3.35 0.23 0.00 0.01 0.00 0.00 72.50 69.38 1lr1 s THR 21 CO 0.00 -0.19 1.69 0.17 -0.69 0.00 0.00 174.62 175.61 1lr1 h LEU 22 N 0.61 0.00 -1.24 4.42 -0.00 -2.01 -2.91 115.31 114.17 1lr1 h LEU 22 Ca -0.45 0.00 0.34 0.00 -0.00 0.00 0.00 57.88 57.77 1lr1 h LEU 22 Cb 1.26 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 41.87 1lr1 h LEU 22 CO 0.54 0.00 1.24 1.05 -0.00 0.00 0.00 178.44 181.26 1lr1 h GLU 23 N 0.00 0.00 -0.87 0.17 -0.00 -1.99 1.17 114.58 113.05 1lr1 h GLU 23 Ca 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 59.36 59.50 1lr1 h GLU 23 Cb 0.01 0.00 -0.09 0.00 -0.00 0.00 0.00 28.75 28.67 1lr1 h GLU 23 CO 0.00 0.00 0.47 0.00 -0.00 0.00 0.00 179.01 179.48 1lr1 h THR 24 N 0.00 0.76 -0.29 -1.06 1.03 -1.93 0.18 112.91 111.60 1lr1 h THR 24 Ca 0.56 -0.23 -0.05 0.00 -0.01 0.00 0.00 66.41 66.67 1lr1 h THR 24 Cb 3.03 0.02 -0.01 0.00 -1.07 0.00 0.00 68.15 70.11 1lr1 h THR 24 CO -0.01 0.12 -0.03 0.17 -0.01 0.00 0.00 175.52 175.77 1lr1 h LEU 25 N 0.68 0.53 -2.06 0.00 8.10 0.11 0.36 115.31 123.04 1lr1 h LEU 25 Ca 0.47 -0.33 0.10 0.00 0.11 0.00 0.00 57.88 58.23 1lr1 h LEU 25 Cb 0.64 -0.14 -0.01 0.00 -0.44 0.00 0.00 40.66 40.70 1lr1 h LEU 25 CO -0.35 0.74 0.36 -0.08 -4.11 0.00 0.00 178.44 175.00 1lr1 h GLU 26 N 0.32 0.00 0.00 0.17 4.81 -1.08 4.04 114.58 122.84 1lr1 h GLU 26 Ca 0.08 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.26 1lr1 h GLU 26 Cb 0.48 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 1lr1 h GLU 26 CO 0.02 0.00 -0.30 0.93 -0.73 0.00 0.00 179.01 178.93 1lr1 h GLU 27 N 0.00 0.00 0.05 1.92 4.39 0.02 -3.31 114.58 117.66 1lr1 h GLU 27 Ca 0.16 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.59 1lr1 h GLU 27 Cb 0.87 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.50 1lr1 h GLU 27 CO -0.00 0.73 -1.43 0.52 -1.16 0.00 0.00 179.01 177.67 1lr1 h MET 28 N -1.00 0.11 -0.88 2.33 2.86 0.88 -3.33 114.93 115.90 1lr1 h MET 28 Ca -0.07 -0.19 0.14 0.00 -2.06 0.00 0.00 59.70 57.52 1lr1 h MET 28 Cb 0.83 0.07 -0.09 0.00 0.06 0.00 0.00 31.60 32.47 1lr1 h MET 28 CO -0.04 1.09 0.48 1.25 1.06 0.00 0.00 176.91 180.74 1lr1 h LEU 29 N -0.61 0.61 -1.48 1.22 5.85 0.76 0.69 115.31 122.35 1lr1 h LEU 29 Ca -0.35 0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.41 1lr1 h LEU 29 Cb 1.56 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.56 1lr1 h LEU 29 CO -0.08 0.27 -0.15 -0.08 -0.34 0.00 0.00 178.44 178.06 1lr1 h GLU 30 N 0.69 0.16 0.13 1.25 4.57 -1.53 0.01 114.58 119.84 1lr1 h GLU 30 Ca 0.47 -0.03 -0.32 0.00 -1.18 0.00 0.00 59.36 58.30 1lr1 h GLU 30 Cb 0.64 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.20 1lr1 h GLU 30 CO -0.34 0.31 -1.61 0.87 -1.18 0.00 0.00 179.01 177.05 1lr1 h LYS 31 N 0.15 0.26 0.00 1.92 1.79 -0.82 -2.08 116.57 117.80 1lr1 h LYS 31 Ca 0.03 -0.45 -0.01 0.00 -2.18 0.00 0.00 60.65 58.04 1lr1 h LYS 31 Cb 0.35 0.17 -0.00 0.00 -1.58 0.00 0.00 32.23 31.17 1lr1 h LYS 31 CO 0.02 1.13 -0.05 1.25 -1.08 0.00 0.00 179.45 180.72 1lr1 h LEU 32 N 0.07 0.00 0.11 2.94 5.85 0.48 0.32 115.31 125.08 1lr1 h LEU 32 Ca -0.28 0.00 -0.27 0.00 0.84 0.00 0.00 57.88 58.18 1lr1 h LEU 32 Cb 2.03 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 43.06 1lr1 h LEU 32 CO 0.16 0.05 -1.37 -0.08 -0.34 0.00 0.00 178.44 176.86 1lr1 h GLU 33 N 0.00 0.23 -0.23 1.25 4.22 -1.01 -3.26 114.58 115.79 1lr1 h GLU 33 Ca -0.00 -0.39 -0.12 0.00 0.08 0.00 0.00 59.36 58.93 1lr1 h GLU 33 Cb 0.37 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1lr1 h GLU 33 CO 0.01 1.19 -0.34 -0.39 -2.18 0.00 0.00 179.01 177.29 1lr1 h VAL 34 N -0.34 1.29 -0.18 0.32 -1.51 -0.97 0.81 116.25 115.67 1lr1 h VAL 34 Ca -0.30 -1.45 0.04 0.00 -1.23 0.00 0.00 66.70 63.76 1lr1 h VAL 34 Cb 1.73 1.49 -0.04 0.00 -2.13 0.00 0.00 31.29 32.34 1lr1 h VAL 34 CO 0.05 0.46 -0.06 1.62 -1.23 0.00 0.00 177.57 178.40 1lr1 h VAL 35 N 0.42 0.77 0.00 7.19 3.04 -0.51 -0.65 116.25 126.51 1lr1 h VAL 35 Ca 0.05 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.74 1lr1 h VAL 35 Cb 0.80 0.77 0.00 0.00 -2.01 0.00 0.00 31.29 30.86 1lr1 h VAL 35 CO 0.07 0.00 -0.06 1.62 -1.01 0.00 0.00 177.57 178.19 1lr1 h VAL 36 N -0.03 0.00 -0.88 1.51 3.04 -1.56 -3.12 116.25 115.22 1lr1 h VAL 36 Ca 0.09 -0.95 0.11 0.00 -1.01 0.00 0.00 66.70 64.94 1lr1 h VAL 36 Cb 0.17 1.92 -0.08 0.00 -2.01 0.00 0.00 31.29 31.29 1lr1 h VAL 36 CO -0.20 0.00 0.51 -1.13 -1.01 0.00 0.00 177.57 175.74 1lr1 h ASN 37 N 0.00 0.72 -0.12 3.17 -1.24 0.22 3.10 115.58 121.44 1lr1 h ASN 37 Ca 0.00 0.05 -0.17 0.00 0.71 0.00 0.00 56.30 56.89 1lr1 h ASN 37 Cb 0.97 -0.08 0.01 0.00 0.73 0.00 0.00 38.32 39.95 1lr1 h ASN 37 CO 0.00 0.39 -0.59 -0.33 -1.29 0.00 0.00 177.43 175.61 1lr1 h GLU 38 N 0.82 0.61 -0.09 6.67 5.08 -1.38 -3.06 114.58 123.24 1lr1 h GLU 38 Ca 0.43 -0.50 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 1lr1 h GLU 38 Cb 0.44 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 1lr1 h GLU 38 CO -0.27 1.12 -0.03 0.00 -1.00 0.00 0.00 179.01 178.83 1lr1 h ARG 39 N 0.26 0.18 -0.82 2.33 -0.00 -1.12 0.10 114.38 115.31 1lr1 h ARG 39 Ca -0.04 -0.07 0.19 0.00 -0.50 0.00 0.00 59.98 59.56 1lr1 h ARG 39 Cb 1.23 -0.01 -0.12 0.00 0.00 0.00 0.00 29.97 31.08 1lr1 h ARG 39 CO 0.12 0.51 0.26 0.00 0.00 0.00 0.00 179.97 180.87 1lr1 h ARG 40 N -0.17 0.30 0.11 0.04 2.47 0.55 1.16 114.38 118.85 1lr1 h ARG 40 Ca 0.02 -0.02 -0.30 0.00 -1.26 0.00 0.00 59.98 58.42 1lr1 h ARG 40 Cb 0.45 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.69 1lr1 h ARG 40 CO 0.01 0.20 -1.52 1.05 0.56 0.00 0.00 179.97 180.27 1lr1 h GLU 41 N 0.31 0.23 0.08 0.04 4.11 -1.48 -3.28 114.58 114.59 1lr1 h GLU 41 Ca 0.49 -0.39 -0.29 0.00 0.07 0.00 0.00 59.36 59.24 1lr1 h GLU 41 Cb 0.89 0.14 0.03 0.00 0.50 0.00 0.00 28.75 30.31 1lr1 h GLU 41 CO -0.54 1.08 -1.18 1.49 0.07 0.00 0.00 179.01 179.93 1lr1 h GLU 42 N 0.06 0.63 -0.28 1.06 4.57 0.02 -3.13 114.58 117.51 1lr1 h GLU 42 Ca -0.23 -0.79 0.01 0.00 -1.18 0.00 0.00 59.36 57.16 1lr1 h GLU 42 Cb 2.00 0.25 -0.02 0.00 -0.16 0.00 0.00 28.75 30.83 1lr1 h GLU 42 CO 0.16 1.35 0.17 0.93 -1.18 0.00 0.00 179.01 180.44 1lr1 h GLU 43 N 0.30 0.34 -0.65 1.92 4.39 0.12 0.34 114.58 121.35 1lr1 h GLU 43 Ca -0.17 -0.02 0.08 0.00 0.34 0.00 0.00 59.36 59.60 1lr1 h GLU 43 Cb 1.85 -0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 30.38 1lr1 h GLU 43 CO 0.23 0.23 0.43 1.03 -1.16 0.00 0.00 179.01 179.76 1lr1 h SER 44 N 0.35 0.49 -0.44 1.42 0.87 -1.65 0.13 113.55 114.73 1lr1 h SER 44 Ca 0.11 0.01 -0.11 0.00 -1.23 0.00 0.00 61.79 60.57 1lr1 h SER 44 Cb -0.02 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 61.83 1lr1 h SER 44 CO -0.04 0.31 -0.15 0.00 -0.53 0.00 0.00 176.83 176.42 1lr1 h ALA 45 N 1.66 0.61 -0.90 6.23 0.00 -1.02 -1.45 119.26 124.39 1lr1 h ALA 45 Ca 0.29 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1lr1 h ALA 45 Cb 0.42 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1lr1 h ALA 45 CO -0.09 0.53 0.49 0.00 0.00 0.00 0.00 179.25 180.18 1lr1 h ALA 46 N 0.85 1.15 -0.26 0.00 0.00 0.22 0.18 119.26 121.40 1lr1 h ALA 46 Ca 0.10 -0.14 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 1lr1 h ALA 46 Cb 0.70 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1lr1 h ALA 46 CO 0.05 0.66 -0.43 0.00 0.00 0.00 0.00 179.25 179.54 1lr1 h ALA 47 N 1.27 0.41 -0.43 0.00 0.00 -0.98 -2.50 119.26 117.02 1lr1 h ALA 47 Ca 0.32 -0.46 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 1lr1 h ALA 47 Cb 0.04 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1lr1 h ALA 47 CO -0.05 0.53 -0.11 0.00 0.00 0.00 0.00 179.25 179.62 1lr1 h ALA 48 N 0.66 0.59 -0.30 0.00 0.00 -1.02 -2.43 119.26 116.77 1lr1 h ALA 48 Ca 0.02 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.54 1lr1 h ALA 48 Cb 1.03 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1lr1 h ALA 48 CO 0.10 0.49 -0.03 1.05 0.00 0.00 0.00 179.25 180.85 1lr1 h GLU 49 N 0.66 0.56 -0.14 0.00 4.11 -1.00 -3.25 114.58 115.52 1lr1 h GLU 49 Ca 0.11 -0.19 -0.01 0.00 0.07 0.00 0.00 59.36 59.33 1lr1 h GLU 49 Cb 0.65 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 1lr1 h GLU 49 CO 0.04 0.72 0.05 -0.24 0.07 0.00 0.00 179.01 179.66 1lr1 h VAL 50 N 0.34 1.16 -3.37 -1.06 3.04 -1.47 -3.42 116.25 111.47 1lr1 h VAL 50 Ca 0.08 -0.50 -0.55 0.00 -1.01 0.00 0.00 66.70 64.72 1lr1 h VAL 50 Cb 0.49 1.24 -0.04 0.00 -2.01 0.00 0.00 31.29 30.97 1lr1 h VAL 50 CO 0.02 0.15 0.28 -1.61 -1.01 0.00 0.00 177.57 175.40 1lr1 s GLU 51 N -5.48 4.48 0.29 4.17 2.02 -0.92 -4.83 118.70 118.43 1lr1 s GLU 51 Ca -0.14 1.17 0.00 0.00 0.02 0.00 0.00 54.97 56.02 1lr1 s GLU 51 Cb 0.06 -3.47 0.00 0.00 0.10 0.00 0.00 34.13 30.82 1lr1 s GLU 51 CO 0.70 -0.05 0.00 0.39 0.02 0.00 0.00 175.26 176.31 1lr1 n GLU 52 N 4.07 0.00 0.00 1.61 1.02 -1.26 -4.77 120.64 121.30 1lr1 n GLU 52 Ca 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 1lr1 n GLU 52 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.93 1lr1 n GLU 52 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1lr1 n ARG 53 N -3.19 0.00 -2.75 3.49 1.74 -1.26 -5.12 116.66 109.57 1lr1 n ARG 53 Ca 0.00 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.67 1lr1 n ARG 53 Cb 0.00 -0.01 -0.05 0.00 -1.02 0.00 0.00 32.46 31.38 1lr1 n ARG 53 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1lr1 s THR 54 N -1.63 4.48 0.28 0.55 -4.23 -1.26 -4.95 115.64 108.87 1lr1 s THR 54 Ca 0.00 2.04 -0.01 0.00 -1.18 0.00 0.00 61.69 62.54 1lr1 s THR 54 Cb 0.00 -4.31 0.15 0.00 1.34 0.00 0.00 72.50 69.68 1lr1 s THR 54 CO 0.00 0.34 1.81 0.03 -0.54 0.00 0.00 174.62 176.26 1lr1 h ARG 55 N 5.45 0.82 -5.18 3.99 2.47 -1.99 -3.47 114.38 116.46 1lr1 h ARG 55 Ca -0.43 -0.18 -0.30 0.00 -1.26 0.00 0.00 59.98 57.81 1lr1 h ARG 55 Cb 1.21 -0.12 0.14 0.00 -1.65 0.00 0.00 29.97 29.55 1lr1 h ARG 55 CO 0.71 0.76 -0.65 1.17 0.56 0.00 0.00 179.97 182.52 1lr1 n LYS 56 N -4.26 -6.10 0.00 0.04 3.00 -1.26 -5.10 118.16 104.49 1lr1 n LYS 56 Ca 0.04 0.73 0.02 0.00 -0.00 0.00 0.00 58.31 59.10 1lr1 n LYS 56 Cb 0.24 -5.43 0.12 0.00 0.00 0.00 0.00 35.03 29.96 1lr1 n LYS 56 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.40 178.87