#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f43 s LYS -2 N 0.00 4.19 0.00 -1.58 1.02 -1.26 -4.95 119.74 117.16 1f43 s LYS -2 Ca 0.00 0.29 0.18 0.00 0.02 0.00 0.00 55.97 56.46 1f43 s LYS -2 Cb 0.00 -3.54 0.65 0.00 -0.52 0.00 0.00 37.83 34.43 1f43 s LYS -2 CO 0.00 -0.06 1.48 0.39 -0.92 0.00 0.00 175.35 176.24 1f43 n GLU -1 N 4.52 1.70 -1.55 1.68 1.02 -1.26 -5.03 120.64 121.73 1f43 n GLU -1 Ca -0.07 -1.06 0.00 0.00 -0.02 0.00 0.00 57.16 56.01 1f43 n GLU -1 Cb 0.51 -1.35 0.00 0.00 -0.02 0.00 0.00 31.44 30.57 1f43 n GLU -1 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1f43 n LYS 0 N 0.30 -4.39 0.45 3.49 5.02 -1.26 -4.84 118.16 116.93 1f43 n LYS 0 Ca 0.15 3.22 -0.18 0.00 -2.02 0.00 0.00 58.31 59.48 1f43 n LYS 0 Cb 0.30 -3.59 -0.08 0.00 -0.02 0.00 0.00 35.03 31.64 1f43 n LYS 0 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1f43 h SER 1 N 2.05 -0.98 -3.85 4.39 0.87 -2.03 -3.43 113.55 110.58 1f43 h SER 1 Ca 0.00 0.03 -0.52 0.00 -1.23 0.00 0.00 61.79 60.08 1f43 h SER 1 Cb 0.00 0.25 0.05 0.00 -0.44 0.00 0.00 62.40 62.26 1f43 h SER 1 CO 0.00 -0.67 0.58 -2.16 -0.53 0.00 0.00 176.83 174.05 1f43 s PRO 2 N -5.41 4.46 0.00 2.24 0.04 -1.26 -4.78 135.00 130.28 1f43 s PRO 2 Ca -0.17 2.07 0.00 0.00 0.04 0.00 0.00 61.00 62.94 1f43 s PRO 2 Cb 0.02 -3.12 0.00 0.00 0.04 0.00 0.00 34.50 31.44 1f43 s PRO 2 CO 0.51 -0.05 0.00 1.17 0.04 0.00 0.00 177.00 178.67 1f43 n LYS 3 N 0.97 0.00 -4.03 4.56 4.81 -1.26 -5.14 118.16 118.07 1f43 n LYS 3 Ca -0.00 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.33 1f43 n LYS 3 Cb 0.43 0.00 -0.11 0.00 0.02 0.00 0.00 35.03 35.37 1f43 n LYS 3 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 1f43 s GLY 4 N -1.54 0.40 0.50 3.14 0.00 -1.26 -5.17 107.32 103.39 1f43 s GLY 4 Ca 0.00 -0.73 0.05 0.00 0.00 0.00 0.00 44.72 44.04 1f43 s GLY 4 CO 0.00 -0.80 0.46 0.58 0.00 0.00 0.00 173.10 173.34 1f43 n LYS 5 N 1.39 0.74 -2.60 2.90 2.85 -1.26 -4.94 118.16 117.24 1f43 n LYS 5 Ca -0.22 -2.99 -0.02 0.00 -1.05 0.00 0.00 58.31 54.02 1f43 n LYS 5 Cb 0.55 0.19 -0.02 0.00 -0.65 0.00 0.00 35.03 35.10 1f43 n LYS 5 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1f43 n SER 6 N -1.99 -4.89 -1.16 -5.58 2.88 -1.26 -4.85 113.62 96.76 1f43 n SER 6 Ca 0.02 1.32 0.10 0.00 -1.33 0.00 0.00 58.87 58.98 1f43 n SER 6 Cb 0.55 -5.06 -0.02 0.00 -0.75 0.00 0.00 64.21 58.93 1f43 n SER 6 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1f43 n SER 7 N 1.02 -6.93 -4.29 -3.46 2.88 -1.26 -4.97 113.62 96.62 1f43 n SER 7 Ca -0.15 0.77 -0.15 0.00 -1.33 0.00 0.00 58.87 58.01 1f43 n SER 7 Cb 0.24 -2.19 -0.10 0.00 -0.75 0.00 0.00 64.21 61.41 1f43 n SER 7 CO 0.00 0.00 0.00 -0.51 -1.23 0.00 0.00 175.04 173.30 1f43 s ILE 8 N -1.13 0.59 0.87 2.46 2.07 -1.26 -5.02 121.20 119.78 1f43 s ILE 8 Ca 0.00 -1.99 -0.13 0.00 -1.41 0.00 0.00 60.65 57.12 1f43 s ILE 8 Cb 0.00 -2.44 0.20 0.00 0.13 0.00 0.00 42.46 40.35 1f43 s ILE 8 CO 0.00 -0.18 0.45 -1.20 -1.91 0.00 0.00 174.94 172.10 1f43 n SER 9 N -0.38 -3.00 0.10 4.50 7.64 -1.26 -4.53 113.62 116.70 1f43 n SER 9 Ca -0.02 -0.46 0.20 0.00 1.01 0.00 0.00 58.87 59.60 1f43 n SER 9 Cb 0.65 -0.61 0.68 0.00 -1.01 0.00 0.00 64.21 63.92 1f43 n SER 9 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1f43 h PRO 10 N 0.00 0.00 -0.66 1.43 0.13 -2.03 0.71 132.00 131.58 1f43 h PRO 10 Ca -0.21 0.00 0.19 0.00 -0.87 0.00 0.00 66.00 65.12 1f43 h PRO 10 Cb 0.70 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.80 1f43 h PRO 10 CO 0.12 0.00 0.72 1.96 -0.23 0.00 0.00 178.00 180.58 1f43 h GLN 11 N 0.00 0.00 -0.64 0.86 4.20 -1.96 -1.08 115.11 116.49 1f43 h GLN 11 Ca 0.19 0.00 0.10 0.00 0.06 0.00 0.00 58.65 59.01 1f43 h GLN 11 Cb 1.32 0.00 -0.12 0.00 0.30 0.00 0.00 27.48 28.98 1f43 h GLN 11 CO -0.00 0.00 -0.39 0.00 -0.67 0.00 0.00 178.83 177.77 1f43 h ALA 12 N 1.18 -0.15 0.17 3.87 0.00 -1.08 2.52 119.26 125.76 1f43 h ALA 12 Ca 0.31 0.15 -0.31 0.00 0.00 0.00 0.00 54.91 55.07 1f43 h ALA 12 Cb 1.75 0.90 0.01 0.00 0.00 0.00 0.00 17.79 20.45 1f43 h ALA 12 CO -0.00 -0.74 -1.46 0.07 0.00 0.00 0.00 179.25 177.12 1f43 h ARG 13 N -0.17 0.35 0.39 0.00 0.11 -1.47 -3.10 114.38 110.49 1f43 h ARG 13 Ca 0.22 -0.60 -0.02 0.00 0.10 0.00 0.00 59.98 59.68 1f43 h ARG 13 Cb 0.56 0.22 0.00 0.00 1.11 0.00 0.00 29.97 31.87 1f43 h ARG 13 CO -0.73 1.26 -0.19 0.00 0.10 0.00 0.00 179.97 180.42 1f43 h ALA 14 N 0.39 -0.53 -0.09 0.08 0.00 -0.75 1.06 119.26 119.41 1f43 h ALA 14 Ca -0.22 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.55 1f43 h ALA 14 Cb 2.06 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 20.01 1f43 h ALA 14 CO 0.21 -0.68 -0.14 0.27 0.00 0.00 0.00 179.25 178.91 1f43 h PHE 15 N -0.77 -0.37 -0.22 0.00 -5.15 0.42 -0.82 116.94 110.03 1f43 h PHE 15 Ca -0.05 0.02 -0.08 0.00 -0.20 0.00 0.00 57.97 57.66 1f43 h PHE 15 Cb 0.52 0.18 -0.01 0.00 0.22 0.00 0.00 35.95 36.86 1f43 h PHE 15 CO 0.00 -0.21 -0.19 1.25 -2.00 0.00 0.00 178.31 177.16 1f43 h LEU 16 N -0.20 0.38 0.08 2.10 5.85 -1.55 -1.51 115.31 120.46 1f43 h LEU 16 Ca 0.08 -0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.70 1f43 h LEU 16 Cb 0.31 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 1f43 h LEU 16 CO -0.20 0.59 -0.29 -0.33 -0.34 0.00 0.00 178.44 177.86 1f43 h GLU 17 N 0.36 -0.41 -0.59 1.25 4.39 0.25 0.58 114.58 120.41 1f43 h GLU 17 Ca 0.06 0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.78 1f43 h GLU 17 Cb 0.54 0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 29.25 1f43 h GLU 17 CO 0.04 -0.27 0.31 -0.56 -1.16 0.00 0.00 179.01 177.36 1f43 h GLN 18 N -0.43 0.82 0.27 2.33 3.07 -1.28 0.13 115.11 120.03 1f43 h GLN 18 Ca -0.01 -0.09 -0.01 0.00 0.09 0.00 0.00 58.65 58.63 1f43 h GLN 18 Cb 0.43 -0.16 0.00 0.00 0.08 0.00 0.00 27.48 27.82 1f43 h GLN 18 CO -0.15 0.61 -0.16 0.28 0.09 0.00 0.00 178.83 179.50 1f43 h VAL 19 N 0.82 0.00 0.00 1.86 2.07 -0.56 0.63 116.25 121.07 1f43 h VAL 19 Ca 0.21 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.73 1f43 h VAL 19 Cb 0.04 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.81 1f43 h VAL 19 CO -0.03 0.00 0.02 0.15 0.02 0.00 0.00 177.57 177.73 1f43 h PHE 20 N -0.40 0.00 -0.03 1.57 3.04 0.21 -1.16 116.94 120.17 1f43 h PHE 20 Ca -0.04 0.00 -0.26 0.00 3.98 0.00 0.00 57.97 61.66 1f43 h PHE 20 Cb 0.32 0.00 0.02 0.00 2.56 0.00 0.00 35.95 38.84 1f43 h PHE 20 CO 0.07 0.00 -0.99 -0.09 -2.02 0.00 0.00 178.31 175.29 1f43 h ARG 21 N 0.00 0.72 -1.01 1.11 9.65 -0.09 -3.25 114.38 121.51 1f43 h ARG 21 Ca 0.00 -0.73 0.02 0.00 -1.10 0.00 0.00 59.98 58.17 1f43 h ARG 21 Cb 0.04 0.20 -0.05 0.00 -1.39 0.00 0.00 29.97 28.77 1f43 h ARG 21 CO 0.00 1.31 0.67 0.00 2.80 0.00 0.00 179.97 184.74 1f43 h ARG 22 N 0.42 1.30 0.00 0.20 3.08 0.42 -3.48 114.38 116.32 1f43 h ARG 22 Ca -0.11 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 59.86 1f43 h ARG 22 Cb 1.64 -0.29 0.00 0.00 0.08 0.00 0.00 29.97 31.39 1f43 h ARG 22 CO 0.20 0.86 0.00 0.36 -1.07 0.00 0.00 179.97 180.31 1f43 n LYS 23 N -4.40 0.00 0.00 0.04 2.85 -1.19 -5.10 118.16 110.35 1f43 n LYS 23 Ca 0.13 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.39 1f43 n LYS 23 Cb 0.04 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.42 1f43 n LYS 23 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 1f43 n GLN 24 N 0.00 0.00 -2.41 -1.58 1.13 -1.26 -4.50 117.38 108.76 1f43 n GLN 24 Ca 0.00 0.00 -0.43 0.00 -1.94 0.00 0.00 57.00 54.63 1f43 n GLN 24 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.35 1f43 n GLN 24 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1f43 n SER 25 N -2.53 4.84 -4.71 1.08 2.88 -1.26 -4.98 113.62 108.94 1f43 n SER 25 Ca 0.00 -2.99 -0.42 0.00 -1.33 0.00 0.00 58.87 54.13 1f43 n SER 25 Cb 0.00 -1.59 -0.03 0.00 -0.75 0.00 0.00 64.21 61.84 1f43 n SER 25 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1f43 s LEU 26 N 1.56 4.36 0.00 2.46 1.43 -1.26 -5.03 118.68 122.21 1f43 s LEU 26 Ca 0.45 2.09 0.04 0.00 -1.03 0.00 0.00 54.13 55.67 1f43 s LEU 26 Cb 0.06 -3.58 0.12 0.00 0.03 0.00 0.00 46.19 42.83 1f43 s LEU 26 CO -0.00 -0.54 0.92 0.59 0.23 0.00 0.00 176.35 177.55 1f43 n ASN 27 N 4.10 1.65 0.02 2.29 3.02 -1.26 -4.62 115.26 120.46 1f43 n ASN 27 Ca 0.10 -2.29 0.22 0.00 -0.03 0.00 0.00 54.58 52.58 1f43 n ASN 27 Cb 0.45 -0.56 0.73 0.00 -0.61 0.00 0.00 39.78 39.79 1f43 n ASN 27 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1f43 h SER 28 N -0.32 0.00 0.00 6.41 0.02 -1.97 1.80 113.55 119.50 1f43 h SER 28 Ca -0.31 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.64 1f43 h SER 28 Cb 1.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.77 1f43 h SER 28 CO 0.37 0.00 -0.00 0.11 -1.14 0.00 0.00 176.83 176.17 1f43 h LYS 29 N 0.00 -0.00 -0.31 3.45 6.56 -1.98 -2.78 116.57 121.50 1f43 h LYS 29 Ca 0.26 0.00 -0.17 0.00 -1.06 0.00 0.00 60.65 59.67 1f43 h LYS 29 Cb 1.27 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.93 1f43 h LYS 29 CO -0.00 0.88 -0.49 0.93 -2.06 0.00 0.00 179.45 178.72 1f43 h GLU 30 N -0.91 0.86 -0.54 3.15 5.08 -1.39 1.06 114.58 121.89 1f43 h GLU 30 Ca -0.00 -0.50 0.03 0.00 -1.00 0.00 0.00 59.36 57.88 1f43 h GLU 30 Cb 0.89 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.15 1f43 h GLU 30 CO 0.00 1.14 0.36 1.57 -1.00 0.00 0.00 179.01 181.08 1f43 h LYS 31 N 0.67 0.62 0.10 2.33 2.10 0.26 2.27 116.57 124.92 1f43 h LYS 31 Ca 0.03 -0.04 -0.35 0.00 -2.00 0.00 0.00 60.65 58.29 1f43 h LYS 31 Cb 1.08 -0.14 -0.02 0.00 -0.90 0.00 0.00 32.23 32.25 1f43 h LYS 31 CO 0.11 0.41 -1.94 -0.85 -2.00 0.00 0.00 179.45 175.18 1f43 n GLU 32 N -4.47 0.73 0.04 0.07 0.28 -1.05 -2.29 120.64 113.95 1f43 n GLU 32 Ca 0.06 0.27 -0.10 0.00 -0.16 0.00 0.00 57.16 57.23 1f43 n GLU 32 Cb 0.13 -1.73 0.02 0.00 1.43 0.00 0.00 31.44 31.30 1f43 n GLU 32 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 1f43 h GLU 33 N 0.06 0.46 0.20 3.44 4.39 0.15 -2.52 114.58 120.76 1f43 h GLU 33 Ca -0.40 -0.36 -0.31 0.00 0.34 0.00 0.00 59.36 58.63 1f43 h GLU 33 Cb 2.03 0.07 0.03 0.00 -0.10 0.00 0.00 28.75 30.78 1f43 h GLU 33 CO 0.09 0.99 -1.38 0.28 -1.16 0.00 0.00 179.01 177.83 1f43 h VAL 34 N 0.32 1.34 -0.27 3.13 2.07 0.36 -2.45 116.25 120.76 1f43 h VAL 34 Ca -0.03 -2.77 -0.04 0.00 0.82 0.00 0.00 66.70 64.69 1f43 h VAL 34 Cb 1.28 2.96 -0.02 0.00 -1.52 0.00 0.00 31.29 34.00 1f43 h VAL 34 CO 0.13 0.82 -0.00 0.00 0.02 0.00 0.00 177.57 178.54 1f43 h ALA 35 N 0.30 1.49 0.00 1.67 0.00 -1.48 1.10 119.26 122.35 1f43 h ALA 35 Ca -0.21 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1f43 h ALA 35 Cb 2.08 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.74 1f43 h ALA 35 CO 0.25 0.37 -0.82 1.57 0.00 0.00 0.00 179.25 180.62 1f43 h LYS 36 N 0.40 0.00 0.00 0.00 2.10 -1.51 1.48 116.57 119.05 1f43 h LYS 36 Ca 0.09 0.00 -0.30 0.00 -2.00 0.00 0.00 60.65 58.44 1f43 h LYS 36 Cb 0.27 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 31.55 1f43 h LYS 36 CO 0.01 0.00 -2.22 0.36 -2.00 0.00 0.00 179.45 175.60 1f43 n LYS 37 N -2.75 0.96 -0.06 0.07 -0.00 -0.92 -4.54 118.16 110.92 1f43 n LYS 37 Ca 0.01 -0.03 -0.08 0.00 -0.00 0.00 0.00 58.31 58.21 1f43 n LYS 37 Cb 0.55 -1.47 -0.15 0.00 -0.00 0.00 0.00 35.03 33.96 1f43 n LYS 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1f43 n GLY 39 N 1.64 1.95 0.00 0.00 0.00 -0.93 -4.77 105.19 103.08 1f43 n GLY 39 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1f43 n GLY 39 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1f43 n ILE 40 N -0.20 0.00 -3.75 -0.61 5.41 0.50 -4.98 119.36 115.73 1f43 n ILE 40 Ca 0.00 0.00 -0.13 0.00 1.00 0.00 0.00 62.75 63.62 1f43 n ILE 40 Cb 0.00 -0.34 -0.08 0.00 -0.71 0.00 0.00 39.64 38.50 1f43 n ILE 40 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 1f43 s THR 41 N 1.03 0.06 0.58 1.39 2.01 -1.26 -4.10 115.64 115.35 1f43 s THR 41 Ca 0.00 -0.51 0.33 0.00 0.31 0.00 0.00 61.69 61.82 1f43 s THR 41 Cb 0.00 -0.71 0.47 0.00 0.01 0.00 0.00 72.50 72.27 1f43 s THR 41 CO 0.00 -0.28 1.70 1.55 -0.69 0.00 0.00 174.62 176.90 1f43 h PRO 42 N 3.67 0.00 0.00 4.92 0.13 -1.92 1.20 132.00 140.01 1f43 h PRO 42 Ca -0.30 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.61 1f43 h PRO 42 Cb 1.18 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.28 1f43 h PRO 42 CO 0.41 0.00 -1.23 1.25 -0.23 0.00 0.00 178.00 178.21 1f43 h LEU 43 N 0.00 0.00 0.00 1.56 5.85 -1.95 -3.35 115.31 117.42 1f43 h LEU 43 Ca 0.45 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 59.17 1f43 h LEU 43 Cb 2.16 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 43.19 1f43 h LEU 43 CO -0.00 0.87 -0.11 1.56 -0.34 0.00 0.00 178.44 180.42 1f43 h GLN 44 N 0.00 0.00 -1.36 1.25 1.08 0.82 -3.15 115.11 113.74 1f43 h GLN 44 Ca -0.12 0.00 0.43 0.00 -1.45 0.00 0.00 58.65 57.51 1f43 h GLN 44 Cb 1.77 0.00 -0.09 0.00 -0.05 0.00 0.00 27.48 29.11 1f43 h GLN 44 CO 0.09 0.19 0.94 1.33 -0.95 0.00 0.00 178.83 180.43 1f43 n VAL 45 N -4.72 -0.11 -0.07 -0.54 0.24 0.14 0.29 118.33 113.57 1f43 n VAL 45 Ca -0.04 1.35 -0.08 0.00 -2.04 0.00 0.00 64.34 63.54 1f43 n VAL 45 Cb 0.13 -2.23 -0.05 0.00 -1.47 0.00 0.00 33.84 30.22 1f43 n VAL 45 CO 0.00 0.00 0.00 0.08 -2.14 0.00 0.00 176.83 174.77 1f43 h ARG 46 N 0.00 0.00 -0.19 7.34 0.11 -1.69 -2.86 114.38 117.08 1f43 h ARG 46 Ca 0.74 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 60.72 1f43 h ARG 46 Cb 2.69 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 33.77 1f43 h ARG 46 CO -0.20 0.41 -0.30 -0.39 0.10 0.00 0.00 179.97 179.60 1f43 h VAL 47 N -1.00 1.34 0.29 0.08 -1.51 -0.55 -1.53 116.25 113.37 1f43 h VAL 47 Ca -0.05 -1.51 -0.01 0.00 -1.23 0.00 0.00 66.70 63.90 1f43 h VAL 47 Cb 0.55 1.85 0.00 0.00 -2.13 0.00 0.00 31.29 31.56 1f43 h VAL 47 CO -0.03 0.46 -0.14 -0.25 -1.23 0.00 0.00 177.57 176.38 1f43 h TRP 48 N 0.21 -0.37 0.00 5.19 7.01 0.42 -2.67 115.95 125.74 1f43 h TRP 48 Ca 0.02 -0.01 -0.04 0.00 2.11 0.00 0.00 58.89 60.97 1f43 h TRP 48 Cb 0.88 0.12 -0.01 0.00 -2.10 0.00 0.00 29.16 28.05 1f43 h TRP 48 CO 0.09 -0.16 -0.20 0.74 -2.79 0.00 0.00 178.44 176.12 1f43 h PHE 49 N -0.50 0.00 0.11 2.65 0.04 -1.54 -0.60 116.94 117.10 1f43 h PHE 49 Ca -0.04 0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.75 1f43 h PHE 49 Cb 0.38 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.49 1f43 h PHE 49 CO -0.03 0.20 -0.30 0.82 -0.60 0.00 0.00 178.31 178.40 1f43 h ILE 50 N 0.00 0.35 0.00 -0.55 1.08 -0.92 1.74 117.51 119.20 1f43 h ILE 50 Ca -0.00 0.00 -0.20 0.00 -0.39 0.00 0.00 64.86 64.26 1f43 h ILE 50 Cb 0.43 0.35 -0.03 0.00 -3.07 0.00 0.00 36.82 34.50 1f43 h ILE 50 CO 0.03 0.00 -0.97 0.78 -0.69 0.00 0.00 178.15 177.29 1f43 h ASN 51 N -0.52 0.00 -0.38 1.72 2.35 -1.43 0.68 115.58 118.01 1f43 h ASN 51 Ca 0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 1f43 h ASN 51 Cb 0.55 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.92 1f43 h ASN 51 CO -0.18 0.97 0.00 0.29 -1.65 0.00 0.00 177.43 176.86 1f43 n LYS 52 N -3.38 1.95 -1.04 0.81 4.76 -0.24 -4.18 118.16 116.83 1f43 n LYS 52 Ca -0.00 -1.39 -0.03 0.00 -2.87 0.00 0.00 58.31 54.02 1f43 n LYS 52 Cb 0.92 -1.33 -0.01 0.00 -1.84 0.00 0.00 35.03 32.77 1f43 n LYS 52 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 1f43 n ARG 53 N 0.61 0.15 -1.45 1.97 0.63 0.59 -4.90 116.66 114.25 1f43 n ARG 53 Ca 0.13 -0.50 -0.13 0.00 -0.92 0.00 0.00 57.85 56.42 1f43 n ARG 53 Cb 0.34 0.43 -0.11 0.00 0.45 0.00 0.00 32.46 33.58 1f43 n ARG 53 CO 0.00 0.00 0.00 -0.12 -2.51 0.00 0.00 177.63 175.00 1f43 n MET 54 N -0.17 0.21 0.07 -0.14 1.56 0.24 -4.65 117.12 114.23 1f43 n MET 54 Ca -0.12 -0.71 -0.14 0.00 -0.27 0.00 0.00 57.70 56.46 1f43 n MET 54 Cb 0.52 -2.64 -0.06 0.00 2.15 0.00 0.00 33.22 33.19 1f43 n MET 54 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1f43 h ARG 55 N 11.39 0.41 -0.61 2.12 2.47 -1.89 -3.32 114.38 124.95 1f43 h ARG 55 Ca 0.01 -0.47 0.10 0.00 -1.26 0.00 0.00 59.98 58.37 1f43 h ARG 55 Cb 1.03 0.14 -0.11 0.00 -1.65 0.00 0.00 29.97 29.38 1f43 h ARG 55 CO 1.15 1.13 -0.37 1.03 0.56 0.00 0.00 179.97 183.47 1f43 h SER 56 N 0.22 -1.28 0.00 7.04 0.87 -1.95 -3.56 113.55 114.89 1f43 h SER 56 Ca -0.09 0.24 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 1f43 h SER 56 Cb 1.63 0.62 0.00 0.00 -0.44 0.00 0.00 62.40 64.21 1f43 h SER 56 CO 0.17 -0.31 0.00 1.17 -0.53 0.00 0.00 176.83 177.33