#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 0.21 0.00 4.33 4.57 -2.03 -1.84 114.58 119.82 1lr1 h GLU 2 Ca 0.00 -0.35 -0.08 0.00 -1.18 0.00 0.00 59.36 57.74 1lr1 h GLU 2 Cb 0.00 0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.71 1lr1 h GLU 2 CO 0.00 1.08 -0.39 0.00 -1.18 0.00 0.00 179.01 178.52 1lr1 h ALA 3 N 0.61 0.75 0.18 2.92 0.00 -2.01 0.11 119.26 121.81 1lr1 h ALA 3 Ca -0.20 -0.35 -0.34 0.00 0.00 0.00 0.00 54.91 54.02 1lr1 h ALA 3 Cb 1.98 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 19.71 1lr1 h ALA 3 CO 0.16 0.49 -1.71 -0.07 0.00 0.00 0.00 179.25 178.12 1lr1 h LEU 4 N 0.00 0.58 0.00 0.00 -0.00 -2.00 -3.35 115.31 110.54 1lr1 h LEU 4 Ca -0.00 -0.86 -0.19 0.00 -0.00 0.00 0.00 57.88 56.83 1lr1 h LEU 4 Cb 1.29 -0.19 -0.03 0.00 -0.00 0.00 0.00 40.66 41.73 1lr1 h LEU 4 CO 0.05 1.72 -1.15 0.50 -0.00 0.00 0.00 178.44 179.56 1lr1 h LYS 5 N 0.10 0.00 -0.13 1.13 3.11 -1.38 0.33 116.57 119.72 1lr1 h LYS 5 Ca -0.32 0.00 0.05 0.00 -2.81 0.00 0.00 60.65 57.56 1lr1 h LYS 5 Cb 2.09 0.00 -0.05 0.00 -1.00 0.00 0.00 32.23 33.27 1lr1 h LYS 5 CO 0.18 0.56 -0.19 0.97 -2.81 0.00 0.00 179.45 178.15 1lr1 h ILE 6 N 0.00 0.51 -0.00 2.00 -0.00 -0.92 -1.38 117.51 117.71 1lr1 h ILE 6 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.75 1lr1 h ILE 6 Cb 1.67 0.51 0.00 0.00 -0.00 0.00 0.00 36.82 39.00 1lr1 h ILE 6 CO 0.08 0.00 -0.63 0.00 -0.00 0.00 0.00 178.15 177.60 1lr1 n LEU 7 N -5.33 1.02 -2.62 2.19 -0.00 -1.26 -4.89 117.00 106.12 1lr1 n LEU 7 Ca -0.03 -0.35 -0.20 0.00 -0.00 0.00 0.00 56.01 55.44 1lr1 n LEU 7 Cb 0.25 -0.10 0.02 0.00 -0.00 0.00 0.00 43.42 43.59 1lr1 n LEU 7 CO 0.20 0.22 -0.05 0.59 -0.00 0.00 0.00 177.39 178.36 1lr1 n ASN 8 N -1.11 -5.65 -1.96 1.45 4.13 -0.07 -4.52 115.26 107.54 1lr1 n ASN 8 Ca 0.07 -0.21 0.00 0.00 1.68 0.00 0.00 54.58 56.11 1lr1 n ASN 8 Cb 0.36 -4.52 0.00 0.00 -1.54 0.00 0.00 39.78 34.08 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 -1.99 -9.39 -0.19 6.41 5.03 0.95 -3.72 115.26 112.36 1lr1 n ASN 9 Ca -0.13 1.37 0.23 0.00 0.87 0.00 0.00 54.58 56.93 1lr1 n ASN 9 Cb 0.62 -5.13 0.62 0.00 -1.02 0.00 0.00 39.78 34.88 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 3.53 0.63 0.03 2.41 -2.65 -1.90 0.31 117.51 119.87 1lr1 h ILE 10 Ca 0.00 -0.07 0.00 0.00 1.03 0.00 0.00 64.86 65.83 1lr1 h ILE 10 Cb 0.00 0.42 -0.00 0.00 -2.05 0.00 0.00 36.82 35.19 1lr1 h ILE 10 CO 0.00 0.04 -0.03 0.08 0.03 0.00 0.00 178.15 178.26 1lr1 h ARG 11 N 0.19 -0.07 -0.08 0.16 0.11 -1.95 -0.50 114.38 112.25 1lr1 h ARG 11 Ca 0.43 0.00 -0.22 0.00 0.10 0.00 0.00 59.98 60.30 1lr1 h ARG 11 Cb 1.38 0.02 0.00 0.00 1.11 0.00 0.00 29.97 32.49 1lr1 h ARG 11 CO -0.09 -0.05 -0.83 1.15 0.10 0.00 0.00 179.97 180.25 1lr1 h THR 12 N -0.07 1.34 0.73 0.08 2.02 -1.35 -3.29 112.91 112.37 1lr1 h THR 12 Ca 0.00 -2.16 -0.04 0.00 0.77 0.00 0.00 66.41 64.98 1lr1 h THR 12 Cb 0.07 2.17 0.01 0.00 -1.74 0.00 0.00 68.15 68.65 1lr1 h THR 12 CO -0.01 0.66 -0.35 0.25 0.37 0.00 0.00 175.52 176.44 1lr1 h LEU 13 N 0.37 -0.84 -1.84 2.58 6.46 -0.87 -1.30 115.31 119.88 1lr1 h LEU 13 Ca -0.06 0.02 0.36 0.00 -0.12 0.00 0.00 57.88 58.08 1lr1 h LEU 13 Cb 1.45 0.22 -0.07 0.00 -0.73 0.00 0.00 40.66 41.53 1lr1 h LEU 13 CO 0.15 -0.58 0.88 0.03 -0.62 0.00 0.00 178.44 178.30 1lr1 h ARG 14 N -1.02 0.08 0.01 1.25 3.08 -1.20 0.84 114.38 117.41 1lr1 h ARG 14 Ca -0.10 -0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.88 1lr1 h ARG 14 Cb 0.76 -0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.80 1lr1 h ARG 14 CO 0.17 0.05 -0.26 0.00 -1.07 0.00 0.00 179.97 178.86 1lr1 h ALA 15 N 1.42 0.02 -0.06 0.04 0.00 -1.52 0.54 119.26 119.71 1lr1 h ALA 15 Ca 0.63 -0.48 -0.13 0.00 0.00 0.00 0.00 54.91 54.93 1lr1 h ALA 15 Cb 2.30 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 20.10 1lr1 h ALA 15 CO -0.09 0.09 -0.54 -0.56 0.00 0.00 0.00 179.25 178.15 1lr1 h GLN 16 N -0.54 0.16 0.00 0.00 3.07 0.31 -2.91 115.11 115.21 1lr1 h GLN 16 Ca -0.03 -0.10 -0.02 0.00 0.09 0.00 0.00 58.65 58.59 1lr1 h GLN 16 Cb 1.04 0.01 -0.00 0.00 0.08 0.00 0.00 27.48 28.60 1lr1 h GLN 16 CO 0.05 0.66 -0.76 0.00 0.09 0.00 0.00 178.83 178.87 1lr1 h ALA 17 N 1.32 0.65 -1.37 0.06 0.00 0.49 -3.34 119.26 117.07 1lr1 h ALA 17 Ca -0.00 -0.10 0.42 0.00 0.00 0.00 0.00 54.91 55.23 1lr1 h ALA 17 Cb 1.00 0.02 -0.11 0.00 0.00 0.00 0.00 17.79 18.71 1lr1 h ALA 17 CO 0.08 0.12 0.92 0.07 0.00 0.00 0.00 179.25 180.43 1lr1 h ARG 18 N 0.00 0.10 -1.37 0.00 0.11 0.31 1.71 114.38 115.24 1lr1 h ARG 18 Ca -0.02 -0.01 -0.26 0.00 0.10 0.00 0.00 59.98 59.80 1lr1 h ARG 18 Cb 1.08 -0.02 -0.13 0.00 1.11 0.00 0.00 29.97 32.01 1lr1 h ARG 18 CO 0.01 0.07 0.34 -1.91 0.10 0.00 0.00 179.97 178.57 1lr1 n GLU 19 N -4.50 1.65 -3.32 0.08 2.13 -1.25 -4.88 120.64 110.55 1lr1 n GLU 19 Ca 0.35 -1.35 -0.01 0.00 0.66 0.00 0.00 57.16 56.81 1lr1 n GLU 19 Cb 1.42 -1.53 0.01 0.00 0.27 0.00 0.00 31.44 31.62 1lr1 n GLU 19 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1lr1 n SER 20 N 0.23 -1.24 -4.94 4.31 2.88 0.58 -5.16 113.62 110.30 1lr1 n SER 20 Ca 0.26 -1.59 -0.25 0.00 -1.33 0.00 0.00 58.87 55.96 1lr1 n SER 20 Cb 0.73 2.00 0.06 0.00 -0.75 0.00 0.00 64.21 66.24 1lr1 n SER 20 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1lr1 s THR 21 N -2.16 2.41 -0.20 2.46 2.01 -1.26 -4.93 115.64 113.96 1lr1 s THR 21 Ca 0.18 -0.31 0.20 0.00 0.31 0.00 0.00 61.69 62.07 1lr1 s THR 21 Cb -0.02 -3.03 0.20 0.00 0.01 0.00 0.00 72.50 69.66 1lr1 s THR 21 CO 0.03 -0.03 1.59 0.00 -0.69 0.00 0.00 174.62 175.52 1lr1 n LEU 22 N -2.82 0.51 -0.42 4.42 -0.00 -1.26 -2.64 117.00 114.80 1lr1 n LEU 22 Ca 0.08 0.73 0.38 0.00 -0.00 0.00 0.00 56.01 57.20 1lr1 n LEU 22 Cb 0.60 -0.78 0.59 0.00 -0.00 0.00 0.00 43.42 43.84 1lr1 n LEU 22 CO 0.51 -0.90 1.36 -0.08 -0.00 0.00 0.00 177.39 178.28 1lr1 h GLU 23 N 0.00 0.00 -0.83 1.47 4.57 -1.99 1.16 114.58 118.96 1lr1 h GLU 23 Ca 0.00 0.00 0.13 0.00 -1.18 0.00 0.00 59.36 58.31 1lr1 h GLU 23 Cb 0.07 0.00 -0.09 0.00 -0.16 0.00 0.00 28.75 28.58 1lr1 h GLU 23 CO 0.00 0.00 0.42 0.00 -1.18 0.00 0.00 179.01 178.25 1lr1 h THR 24 N 0.00 0.76 -0.16 0.32 1.03 -1.90 -0.56 112.91 112.39 1lr1 h THR 24 Ca 0.68 -0.22 -0.02 0.00 -0.01 0.00 0.00 66.41 66.84 1lr1 h THR 24 Cb 3.29 0.07 -0.01 0.00 -1.07 0.00 0.00 68.15 70.43 1lr1 h THR 24 CO -0.01 0.12 0.01 0.17 -0.01 0.00 0.00 175.52 175.80 1lr1 h LEU 25 N 0.63 0.27 -2.06 0.00 8.10 0.11 0.23 115.31 122.59 1lr1 h LEU 25 Ca 0.44 -0.28 0.09 0.00 0.11 0.00 0.00 57.88 58.24 1lr1 h LEU 25 Cb 0.58 -0.07 -0.01 0.00 -0.44 0.00 0.00 40.66 40.72 1lr1 h LEU 25 CO -0.34 0.48 0.36 -0.08 -4.11 0.00 0.00 178.44 174.75 1lr1 h GLU 26 N 0.04 0.00 0.00 0.17 4.81 -1.29 4.14 114.58 122.45 1lr1 h GLU 26 Ca 0.05 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1lr1 h GLU 26 Cb 0.34 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.72 1lr1 h GLU 26 CO 0.01 0.00 -0.03 1.49 -0.73 0.00 0.00 179.01 179.75 1lr1 h GLU 27 N 0.00 0.00 0.04 1.92 4.81 -0.11 -3.27 114.58 117.97 1lr1 h GLU 27 Ca 0.15 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 59.11 1lr1 h GLU 27 Cb 0.87 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.22 1lr1 h GLU 27 CO -0.00 0.65 -1.47 0.52 -0.73 0.00 0.00 179.01 177.97 1lr1 h MET 28 N -1.00 0.09 -0.76 1.92 2.86 0.65 -3.36 114.93 115.33 1lr1 h MET 28 Ca -0.01 -0.15 0.10 0.00 -2.06 0.00 0.00 59.70 57.59 1lr1 h MET 28 Cb 0.66 0.05 -0.08 0.00 0.06 0.00 0.00 31.60 32.30 1lr1 h MET 28 CO -0.00 1.07 0.39 1.25 1.06 0.00 0.00 176.91 180.67 1lr1 h LEU 29 N -0.67 0.50 -1.89 1.22 5.85 0.78 0.45 115.31 121.56 1lr1 h LEU 29 Ca -0.37 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.41 1lr1 h LEU 29 Cb 1.53 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.54 1lr1 h LEU 29 CO -0.12 0.27 -0.03 -0.08 -0.34 0.00 0.00 178.44 178.15 1lr1 h GLU 30 N 0.64 0.03 0.00 1.25 4.81 -1.44 -0.19 114.58 119.68 1lr1 h GLU 30 Ca 0.38 -0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 59.37 1lr1 h GLU 30 Cb 0.42 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.76 1lr1 h GLU 30 CO -0.29 0.06 -1.38 0.87 -0.73 0.00 0.00 179.01 177.54 1lr1 h LYS 31 N 0.03 0.00 0.00 1.92 1.79 -1.08 -2.89 116.57 116.34 1lr1 h LYS 31 Ca 0.01 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.42 1lr1 h LYS 31 Cb 0.07 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.72 1lr1 h LYS 31 CO 0.00 0.60 -0.27 1.25 -1.08 0.00 0.00 179.45 179.95 1lr1 h LEU 32 N 0.00 0.00 0.13 2.94 5.85 0.85 0.98 115.31 126.06 1lr1 h LEU 32 Ca -0.17 0.00 -0.32 0.00 0.84 0.00 0.00 57.88 58.23 1lr1 h LEU 32 Cb 1.84 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.86 1lr1 h LEU 32 CO 0.09 0.27 -1.60 1.05 -0.34 0.00 0.00 178.44 177.91 1lr1 h GLU 33 N 0.00 0.28 -0.37 1.25 -0.00 -1.12 -3.23 114.58 111.40 1lr1 h GLU 33 Ca -0.00 -0.48 -0.13 0.00 -0.00 0.00 0.00 59.36 58.75 1lr1 h GLU 33 Cb 0.65 0.18 -0.01 0.00 -0.00 0.00 0.00 28.75 29.57 1lr1 h GLU 33 CO 0.04 1.15 -0.28 -0.39 -0.00 0.00 0.00 179.01 179.53 1lr1 h VAL 34 N 0.08 1.28 -0.01 -1.06 -1.51 -1.27 1.33 116.25 115.09 1lr1 h VAL 34 Ca -0.27 -1.42 0.03 0.00 -1.23 0.00 0.00 66.70 63.81 1lr1 h VAL 34 Cb 2.04 1.30 -0.04 0.00 -2.13 0.00 0.00 31.29 32.46 1lr1 h VAL 34 CO 0.16 0.47 -0.19 -0.37 -1.23 0.00 0.00 177.57 176.41 1lr1 h VAL 35 N 0.66 0.54 0.00 7.19 -1.51 -0.92 -0.59 116.25 121.62 1lr1 h VAL 35 Ca 0.08 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.55 1lr1 h VAL 35 Cb 0.81 0.54 0.00 0.00 -2.13 0.00 0.00 31.29 30.51 1lr1 h VAL 35 CO 0.07 0.00 0.00 1.62 -1.23 0.00 0.00 177.57 178.03 1lr1 h VAL 36 N -0.31 0.00 -0.67 7.19 3.04 -1.54 -3.14 116.25 120.82 1lr1 h VAL 36 Ca 0.06 -0.78 0.04 0.00 -1.01 0.00 0.00 66.70 65.01 1lr1 h VAL 36 Cb 0.39 1.77 -0.05 0.00 -2.01 0.00 0.00 31.29 31.39 1lr1 h VAL 36 CO -0.19 0.00 0.41 -1.13 -1.01 0.00 0.00 177.57 175.65 1lr1 h ASN 37 N 0.00 0.66 -0.33 3.17 -1.24 0.33 3.04 115.58 121.21 1lr1 h ASN 37 Ca 0.00 0.01 -0.13 0.00 0.71 0.00 0.00 56.30 56.88 1lr1 h ASN 37 Cb 0.83 -0.13 -0.01 0.00 0.73 0.00 0.00 38.32 39.75 1lr1 h ASN 37 CO 0.00 0.45 -0.32 -0.33 -1.29 0.00 0.00 177.43 175.94 1lr1 h GLU 38 N 0.79 0.79 -0.02 6.67 4.39 -1.29 -2.99 114.58 122.92 1lr1 h GLU 38 Ca 0.28 -0.41 -0.07 0.00 0.34 0.00 0.00 59.36 59.50 1lr1 h GLU 38 Cb 0.06 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 1lr1 h GLU 38 CO -0.13 1.04 -0.25 0.00 -1.16 0.00 0.00 179.01 178.52 1lr1 h ARG 39 N 0.57 0.20 -0.97 2.33 -0.00 -1.34 0.45 114.38 115.62 1lr1 h ARG 39 Ca 0.05 -0.19 0.29 0.00 -0.50 0.00 0.00 59.98 59.64 1lr1 h ARG 39 Cb 0.89 0.05 -0.15 0.00 0.00 0.00 0.00 29.97 30.77 1lr1 h ARG 39 CO 0.08 0.89 0.47 0.00 0.00 0.00 0.00 179.97 181.41 1lr1 h ARG 40 N -0.41 0.29 0.10 0.04 2.47 0.54 2.41 114.38 119.83 1lr1 h ARG 40 Ca -0.03 -0.02 -0.28 0.00 -1.26 0.00 0.00 59.98 58.40 1lr1 h ARG 40 Cb 0.96 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 29.21 1lr1 h ARG 40 CO 0.05 0.19 -1.43 0.93 0.56 0.00 0.00 179.97 180.28 1lr1 h GLU 41 N 0.30 0.22 0.11 0.04 4.39 -1.54 -3.31 114.58 114.78 1lr1 h GLU 41 Ca 0.68 -0.37 -0.27 0.00 0.34 0.00 0.00 59.36 59.74 1lr1 h GLU 41 Cb 1.50 0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 30.28 1lr1 h GLU 41 CO -0.62 1.18 -1.37 0.93 -1.16 0.00 0.00 179.01 177.97 1lr1 h GLU 42 N -0.34 0.22 -0.25 2.33 5.08 0.03 -3.26 114.58 118.39 1lr1 h GLU 42 Ca -0.31 -0.38 0.03 0.00 -1.00 0.00 0.00 59.36 57.69 1lr1 h GLU 42 Cb 1.73 0.14 -0.03 0.00 0.50 0.00 0.00 28.75 31.10 1lr1 h GLU 42 CO 0.04 1.18 0.08 1.49 -1.00 0.00 0.00 179.01 180.80 1lr1 h GLU 43 N -0.35 0.19 -0.56 2.33 4.22 0.39 0.89 114.58 121.69 1lr1 h GLU 43 Ca -0.30 -0.01 0.10 0.00 0.08 0.00 0.00 59.36 59.23 1lr1 h GLU 43 Cb 1.72 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.89 1lr1 h GLU 43 CO 0.04 0.13 0.38 1.03 -2.18 0.00 0.00 179.01 178.41 1lr1 h SER 44 N 0.20 0.30 -0.34 1.04 0.87 -1.59 0.13 113.55 114.16 1lr1 h SER 44 Ca 0.11 0.01 -0.07 0.00 -1.23 0.00 0.00 61.79 60.61 1lr1 h SER 44 Cb 0.08 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 61.98 1lr1 h SER 44 CO -0.12 0.18 -0.05 0.00 -0.53 0.00 0.00 176.83 176.31 1lr1 h ALA 45 N 1.72 0.47 -0.56 6.23 0.00 -1.00 0.23 119.26 126.34 1lr1 h ALA 45 Ca 0.26 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1lr1 h ALA 45 Cb 0.58 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1lr1 h ALA 45 CO -0.06 0.28 0.08 0.00 0.00 0.00 0.00 179.25 179.55 1lr1 h ALA 46 N 0.83 0.75 -0.25 0.00 0.00 0.13 -2.48 119.26 118.24 1lr1 h ALA 46 Ca 0.09 -0.26 -0.16 0.00 0.00 0.00 0.00 54.91 54.58 1lr1 h ALA 46 Cb 0.53 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1lr1 h ALA 46 CO 0.03 0.51 -0.48 0.00 0.00 0.00 0.00 179.25 179.31 1lr1 h ALA 47 N 1.00 0.39 -0.30 0.00 0.00 -0.78 -1.89 119.26 117.68 1lr1 h ALA 47 Ca 0.17 -0.49 0.04 0.00 0.00 0.00 0.00 54.91 54.63 1lr1 h ALA 47 Cb 0.43 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1lr1 h ALA 47 CO 0.01 0.55 0.08 0.00 0.00 0.00 0.00 179.25 179.90 1lr1 h ALA 48 N 0.64 0.32 0.14 0.00 0.00 -0.47 -3.05 119.26 116.84 1lr1 h ALA 48 Ca 0.01 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1lr1 h ALA 48 Cb 1.08 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1lr1 h ALA 48 CO 0.11 -0.33 -0.07 1.05 0.00 0.00 0.00 179.25 180.01 1lr1 h GLU 49 N 0.20 -0.18 -6.28 0.00 4.11 -1.49 -3.46 114.58 107.48 1lr1 h GLU 49 Ca 0.14 0.01 -0.48 0.00 0.07 0.00 0.00 59.36 59.09 1lr1 h GLU 49 Cb 0.12 0.04 -0.29 0.00 0.50 0.00 0.00 28.75 29.13 1lr1 h GLU 49 CO -0.16 0.22 -0.71 1.55 0.07 0.00 0.00 179.01 179.98 1lr1 n VAL 50 N -4.98 -0.08 -1.37 -1.06 3.14 -0.71 -4.22 118.33 109.05 1lr1 n VAL 50 Ca -0.09 -0.04 0.00 0.00 -2.96 0.00 0.00 64.34 61.25 1lr1 n VAL 50 Cb 0.25 -0.42 0.00 0.00 -1.06 0.00 0.00 33.84 32.60 1lr1 n VAL 50 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1lr1 n GLU 51 N -3.30 -3.71 0.00 1.45 -0.58 -1.26 -5.05 120.64 108.19 1lr1 n GLU 51 Ca 0.06 2.84 0.00 0.00 -0.42 0.00 0.00 57.16 59.63 1lr1 n GLU 51 Cb 0.37 -3.41 0.00 0.00 -0.57 0.00 0.00 31.44 27.82 1lr1 n GLU 51 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1lr1 n GLU 52 N -1.90 0.00 0.00 3.49 2.13 -1.26 -5.06 120.64 118.04 1lr1 n GLU 52 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1lr1 n GLU 52 Cb 0.27 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.98 1lr1 n GLU 52 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 1lr1 n ARG 53 N -2.00 0.00 0.00 5.31 0.63 -1.26 -5.13 116.66 114.21 1lr1 n ARG 53 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1lr1 n ARG 53 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 1lr1 n ARG 53 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 1lr1 n THR 54 N -2.06 0.00 -3.87 5.15 -1.04 -1.26 -4.74 114.28 106.46 1lr1 n THR 54 Ca 0.00 0.00 -0.27 0.00 -2.04 0.00 0.00 64.05 61.74 1lr1 n THR 54 Cb 0.00 0.00 0.02 0.00 -1.82 0.00 0.00 70.33 68.53 1lr1 n THR 54 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1lr1 n ARG 55 N 0.00 -4.96 0.00 -2.82 3.00 -1.26 -4.56 116.66 106.07 1lr1 n ARG 55 Ca 0.00 0.57 0.00 0.00 -0.01 0.00 0.00 57.85 58.41 1lr1 n ARG 55 Cb 0.00 -5.27 0.00 0.00 0.00 0.00 0.00 32.46 27.19 1lr1 n ARG 55 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1lr1 n LYS 56 N -4.51 0.00 0.00 5.56 4.81 -1.26 -5.12 118.16 117.64 1lr1 n LYS 56 Ca -0.10 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.34 1lr1 n LYS 56 Cb 0.59 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.64 1lr1 n LYS 56 CO 0.00 0.00 0.00 1.47 1.17 0.00 0.00 177.40 180.04