#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 3.43 1.69 1.64 1.02 -1.26 -5.01 119.74 121.26 1f43 s LYS -2 Ca 0.00 -0.65 0.00 0.00 0.02 0.00 0.00 55.97 55.34 1f43 s LYS -2 Cb 0.00 -3.49 0.00 0.00 -0.52 0.00 0.00 37.83 33.82 1f43 s LYS -2 CO 0.00 -0.34 0.00 0.39 -0.92 0.00 0.00 175.35 174.48 1f43 n GLU -1 N 4.96 -0.36 0.10 1.68 4.71 -1.26 -4.32 120.64 126.15 1f43 n GLU -1 Ca -0.15 0.24 -0.22 0.00 -0.01 0.00 0.00 57.16 57.02 1f43 n GLU -1 Cb 0.50 -0.44 -0.14 0.00 -1.01 0.00 0.00 31.44 30.34 1f43 n GLU -1 CO 0.00 0.00 0.00 0.87 0.09 0.00 0.00 177.13 178.09 1f43 h LYS 0 N 0.00 0.52 0.00 3.49 1.57 -2.07 -3.48 116.57 116.60 1f43 h LYS 0 Ca 0.00 -0.78 0.00 0.00 -1.87 0.00 0.00 60.65 58.00 1f43 h LYS 0 Cb 0.17 0.27 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1f43 h LYS 0 CO 0.00 1.36 0.00 -1.13 -0.57 0.00 0.00 179.45 179.11 1f43 n SER 1 N -3.87 -0.42 -4.64 0.86 3.41 -1.26 -5.13 113.62 102.57 1f43 n SER 1 Ca -0.15 0.40 -0.55 0.00 -0.26 0.00 0.00 58.87 58.31 1f43 n SER 1 Cb 0.97 0.72 -0.07 0.00 -0.26 0.00 0.00 64.21 65.57 1f43 n SER 1 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 1f43 n PRO 2 N -2.78 1.02 -2.72 4.33 -0.02 -1.26 -4.91 135.00 128.66 1f43 n PRO 2 Ca 0.00 0.37 -0.04 0.00 -2.02 0.00 0.00 63.50 61.81 1f43 n PRO 2 Cb 0.00 -2.01 0.03 0.00 -0.02 0.00 0.00 33.50 31.49 1f43 n PRO 2 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1f43 n LYS 3 N 3.61 0.36 0.00 -0.52 4.76 -1.26 -4.94 118.16 120.17 1f43 n LYS 3 Ca 0.22 -1.45 0.00 0.00 -2.87 0.00 0.00 58.31 54.21 1f43 n LYS 3 Cb 0.15 -0.77 0.00 0.00 -1.84 0.00 0.00 35.03 32.57 1f43 n LYS 3 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1f43 n GLY 4 N 2.64 1.41 2.87 0.72 0.00 -1.26 -5.09 105.19 106.49 1f43 n GLY 4 Ca 0.14 -1.42 -0.22 0.00 0.00 0.00 0.00 46.02 44.52 1f43 n GLY 4 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1f43 s LYS 5 N -4.97 0.92 0.83 1.61 0.00 -1.26 -5.14 119.74 111.73 1f43 s LYS 5 Ca 0.00 -0.09 -0.11 0.00 0.00 0.00 0.00 55.97 55.77 1f43 s LYS 5 Cb 0.00 -1.00 0.09 0.00 0.00 0.00 0.00 37.83 36.92 1f43 s LYS 5 CO 0.00 -0.15 1.10 -1.12 0.00 0.00 0.00 175.35 175.18 1f43 s SER 6 N 1.24 3.95 -0.46 0.03 0.01 -1.26 -5.03 113.70 112.18 1f43 s SER 6 Ca -0.06 1.85 0.03 0.00 1.31 0.00 0.00 55.95 59.09 1f43 s SER 6 Cb -0.14 -2.48 0.16 0.00 0.21 0.00 0.00 66.02 63.78 1f43 s SER 6 CO -0.02 -2.39 0.34 -0.44 0.41 0.00 0.00 173.24 171.14 1f43 s SER 7 N -3.23 2.46 0.22 2.44 0.01 -1.26 -5.10 113.70 109.25 1f43 s SER 7 Ca 0.63 -3.05 -0.21 0.00 1.31 0.00 0.00 55.95 54.62 1f43 s SER 7 Cb -0.19 -0.71 0.04 0.00 0.21 0.00 0.00 66.02 65.38 1f43 s SER 7 CO 0.57 -0.18 0.65 -0.51 0.41 0.00 0.00 173.24 174.18 1f43 s ILE 8 N -0.05 0.00 0.68 1.44 2.07 -1.26 -5.11 121.20 118.97 1f43 s ILE 8 Ca 0.28 -0.57 -0.10 0.00 -1.41 0.00 0.00 60.65 58.85 1f43 s ILE 8 Cb -0.04 -1.55 0.16 0.00 0.13 0.00 0.00 42.46 41.16 1f43 s ILE 8 CO -0.15 -0.01 0.35 -1.20 -1.91 0.00 0.00 174.94 172.03 1f43 n SER 9 N -0.42 -2.67 0.10 4.50 7.64 -1.26 -4.51 113.62 117.01 1f43 n SER 9 Ca -0.10 -0.36 0.20 0.00 1.01 0.00 0.00 58.87 59.62 1f43 n SER 9 Cb 0.62 -0.48 0.69 0.00 -1.01 0.00 0.00 64.21 64.03 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 -0.35 1.43 0.13 -2.03 0.72 132.00 131.90 1f43 h PRO 10 Ca -0.16 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 65.07 1f43 h PRO 10 Cb 0.54 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.66 1f43 h PRO 10 CO 0.10 0.00 0.58 1.96 -0.23 0.00 0.00 178.00 180.41 1f43 h GLN 11 N 0.00 0.00 -0.43 0.86 4.20 -1.96 -1.37 115.11 116.41 1f43 h GLN 11 Ca 0.19 0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.98 1f43 h GLN 11 Cb 1.28 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 28.97 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 1.17 -0.31 0.13 3.87 0.00 -1.08 2.46 119.26 125.50 1f43 h ALA 12 Ca 0.17 0.09 -0.29 0.00 0.00 0.00 0.00 54.91 54.88 1f43 h ALA 12 Cb 1.32 0.83 0.00 0.00 0.00 0.00 0.00 17.79 19.94 1f43 h ALA 12 CO -0.00 -0.80 -1.33 0.07 0.00 0.00 0.00 179.25 177.18 1f43 h ARG 13 N -0.29 0.27 0.39 0.00 0.11 -1.53 -3.12 114.38 110.22 1f43 h ARG 13 Ca 0.16 -0.47 -0.02 0.00 0.10 0.00 0.00 59.98 59.75 1f43 h ARG 13 Cb 0.57 0.17 0.00 0.00 1.11 0.00 0.00 29.97 31.83 1f43 h ARG 13 CO -0.58 1.19 -0.19 0.00 0.10 0.00 0.00 179.97 180.50 1f43 h ALA 14 N 0.54 -0.53 -0.29 0.08 0.00 -0.77 1.18 119.26 119.48 1f43 h ALA 14 Ca -0.17 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 54.62 1f43 h ALA 14 Cb 1.99 0.20 -0.06 0.00 0.00 0.00 0.00 17.79 19.92 1f43 h ALA 14 CO 0.19 -0.66 -0.12 0.27 0.00 0.00 0.00 179.25 178.93 1f43 h PHE 15 N -0.80 -0.29 -0.10 0.00 -5.15 0.41 -0.00 116.94 111.00 1f43 h PHE 15 Ca -0.05 0.03 -0.11 0.00 -0.20 0.00 0.00 57.97 57.64 1f43 h PHE 15 Cb 0.53 0.17 -0.01 0.00 0.22 0.00 0.00 35.95 36.86 1f43 h PHE 15 CO 0.01 -0.19 -0.43 1.25 -2.00 0.00 0.00 178.31 176.95 1f43 h LEU 16 N -0.08 0.23 -0.02 2.10 5.85 -1.54 -1.67 115.31 120.19 1f43 h LEU 16 Ca 0.15 -0.10 0.03 0.00 0.84 0.00 0.00 57.88 58.80 1f43 h LEU 16 Cb 0.30 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.21 1f43 h LEU 16 CO -0.34 0.63 -0.40 -0.33 -0.34 0.00 0.00 178.44 177.66 1f43 h GLU 17 N 0.18 -0.53 -0.18 1.25 5.08 0.33 0.34 114.58 121.06 1f43 h GLU 17 Ca 0.01 0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.29 1f43 h GLU 17 Cb 0.83 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 1f43 h GLU 17 CO 0.07 -0.35 -0.41 -0.56 -1.00 0.00 0.00 179.01 176.75 1f43 h GLN 18 N -0.55 0.42 0.26 2.33 3.07 -1.27 -1.69 115.11 117.68 1f43 h GLN 18 Ca 0.05 -0.21 -0.01 0.00 0.09 0.00 0.00 58.65 58.57 1f43 h GLN 18 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.20 1f43 h GLN 18 CO -0.32 0.76 -0.15 0.28 0.09 0.00 0.00 178.83 179.49 1f43 h VAL 19 N 0.34 0.00 0.00 1.86 2.07 -0.33 0.51 116.25 120.71 1f43 h VAL 19 Ca 0.03 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.55 1f43 h VAL 19 Cb 0.88 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 1f43 h VAL 19 CO 0.07 0.00 0.04 0.15 0.02 0.00 0.00 177.57 177.85 1f43 h PHE 20 N -0.38 0.00 0.06 1.57 3.57 -0.43 -1.24 116.94 120.10 1f43 h PHE 20 Ca -0.04 0.00 -0.27 0.00 3.53 0.00 0.00 57.97 61.19 1f43 h PHE 20 Cb 0.30 0.00 0.02 0.00 2.79 0.00 0.00 35.95 39.06 1f43 h PHE 20 CO 0.08 0.00 -1.10 -0.09 -2.23 0.00 0.00 178.31 174.97 1f43 h ARG 21 N 0.00 0.64 -0.90 1.11 2.43 -0.62 -3.28 114.38 113.75 1f43 h ARG 21 Ca 0.00 -0.77 0.03 0.00 -0.81 0.00 0.00 59.98 58.44 1f43 h ARG 21 Cb 0.08 0.24 -0.05 0.00 -0.42 0.00 0.00 29.97 29.81 1f43 h ARG 21 CO 0.00 1.34 0.59 0.00 -1.51 0.00 0.00 179.97 180.39 1f43 h ARG 22 N 0.28 1.10 0.00 0.20 2.47 0.34 -3.47 114.38 115.30 1f43 h ARG 22 Ca -0.15 -0.07 0.00 0.00 -1.26 0.00 0.00 59.98 58.50 1f43 h ARG 22 Cb 1.77 -0.25 0.00 0.00 -1.65 0.00 0.00 29.97 29.84 1f43 h ARG 22 CO 0.21 0.73 0.00 0.36 0.56 0.00 0.00 179.97 181.83 1f43 n LYS 23 N -4.44 0.00 0.00 0.04 2.85 -1.21 -5.10 118.16 110.30 1f43 n LYS 23 Ca 0.12 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.38 1f43 n LYS 23 Cb 0.10 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.48 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 -3.01 -1.58 1.13 -1.26 -4.61 117.38 108.05 1f43 n GLN 24 Ca 0.00 0.00 -0.44 0.00 -1.94 0.00 0.00 57.00 54.62 1f43 n GLN 24 Cb 0.00 -0.09 0.00 0.00 0.11 0.00 0.00 30.24 30.26 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 -2.19 5.39 -4.67 1.08 2.88 -1.26 -5.00 113.62 109.85 1f43 n SER 25 Ca 0.00 -3.04 -0.43 0.00 -1.33 0.00 0.00 58.87 54.07 1f43 n SER 25 Cb 0.00 -1.48 -0.02 0.00 -0.75 0.00 0.00 64.21 61.96 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 0.17 4.22 0.74 2.46 1.43 -1.26 -5.02 118.68 121.43 1f43 s LEU 26 Ca 0.38 1.80 -0.03 0.00 -1.03 0.00 0.00 54.13 55.25 1f43 s LEU 26 Cb -0.03 -3.54 0.13 0.00 0.03 0.00 0.00 46.19 42.77 1f43 s LEU 26 CO -0.02 -0.74 1.02 0.54 0.23 0.00 0.00 176.35 177.38 1f43 s ASN 27 N 2.01 4.28 0.57 2.29 4.22 -1.26 -4.55 114.94 122.50 1f43 s ASN 27 Ca 0.57 -0.24 0.33 0.00 -2.14 0.00 0.00 52.86 51.39 1f43 s ASN 27 Cb -0.24 -0.14 1.45 0.00 1.28 0.00 0.00 41.25 43.60 1f43 s ASN 27 CO 0.18 -1.91 1.77 0.28 -2.04 0.00 0.00 177.10 175.38 1f43 h SER 28 N -0.62 0.00 0.02 3.54 0.02 -1.97 1.68 113.55 116.22 1f43 h SER 28 Ca -0.38 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.52 1f43 h SER 28 Cb 1.27 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.81 1f43 h SER 28 CO 0.41 0.00 -0.21 0.11 -1.14 0.00 0.00 176.83 176.00 1f43 h LYS 29 N 0.00 0.10 -0.24 3.45 1.79 -1.98 -2.81 116.57 116.87 1f43 h LYS 29 Ca 0.46 -0.14 -0.17 0.00 -2.18 0.00 0.00 60.65 58.62 1f43 h LYS 29 Cb 2.05 0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 32.74 1f43 h LYS 29 CO -0.00 1.00 -0.52 0.93 -1.08 0.00 0.00 179.45 179.77 1f43 h GLU 30 N -0.73 0.70 -0.48 3.15 5.08 -1.06 1.02 114.58 122.26 1f43 h GLU 30 Ca -0.03 -0.43 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 1f43 h GLU 30 Cb 1.09 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.36 1f43 h GLU 30 CO 0.04 1.05 0.30 1.57 -1.00 0.00 0.00 179.01 180.97 1f43 h LYS 31 N 0.55 0.64 0.10 2.33 2.10 0.22 2.09 116.57 124.59 1f43 h LYS 31 Ca 0.02 -0.04 -0.35 0.00 -2.00 0.00 0.00 60.65 58.28 1f43 h LYS 31 Cb 1.09 -0.14 -0.02 0.00 -0.90 0.00 0.00 32.23 32.25 1f43 h LYS 31 CO 0.11 0.44 -1.91 -0.85 -2.00 0.00 0.00 179.45 175.23 1f43 n GLU 32 N -4.45 0.73 0.04 0.07 0.28 -1.06 -2.27 120.64 113.99 1f43 n GLU 32 Ca 0.04 0.27 -0.10 0.00 -0.16 0.00 0.00 57.16 57.21 1f43 n GLU 32 Cb 0.07 -1.74 0.02 0.00 1.43 0.00 0.00 31.44 31.22 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 0.44 0.20 3.44 4.39 0.14 -2.56 114.58 120.68 1f43 h GLU 33 Ca -0.39 -0.36 -0.31 0.00 0.34 0.00 0.00 59.36 58.65 1f43 h GLU 33 Cb 2.03 0.07 0.02 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 0.30 1.37 -0.15 3.13 2.07 0.32 -2.72 116.25 120.58 1f43 h VAL 34 Ca -0.03 -2.86 -0.05 0.00 0.82 0.00 0.00 66.70 64.58 1f43 h VAL 34 Cb 1.31 3.00 -0.01 0.00 -1.52 0.00 0.00 31.29 34.07 1f43 h VAL 34 CO 0.13 0.85 -0.14 0.00 0.02 0.00 0.00 177.57 178.42 1f43 h ALA 35 N 0.34 1.49 0.00 1.67 0.00 -1.48 0.94 119.26 122.22 1f43 h ALA 35 Ca -0.21 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1f43 h ALA 35 Cb 2.09 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.79 1f43 h ALA 35 CO 0.25 0.36 -0.74 1.57 0.00 0.00 0.00 179.25 180.68 1f43 h LYS 36 N 0.22 0.00 0.00 0.00 2.10 -1.52 1.17 116.57 118.54 1f43 h LYS 36 Ca 0.04 0.00 -0.24 0.00 -2.00 0.00 0.00 60.65 58.46 1f43 h LYS 36 Cb 0.39 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.68 1f43 h LYS 36 CO 0.02 0.00 -2.12 0.36 -2.00 0.00 0.00 179.45 175.71 1f43 n LYS 37 N -2.69 0.98 -0.06 0.07 -0.00 -1.00 -4.54 118.16 110.91 1f43 n LYS 37 Ca 0.01 -0.05 -0.07 0.00 -0.00 0.00 0.00 58.31 58.20 1f43 n LYS 37 Cb 0.53 -1.45 -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 1.88 0.00 0.00 0.00 -0.88 -4.75 105.19 103.07 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 -0.36 0.00 -3.84 -0.61 5.41 0.40 -4.99 119.36 115.37 1f43 n ILE 40 Ca 0.00 0.00 -0.11 0.00 1.00 0.00 0.00 62.75 63.64 1f43 n ILE 40 Cb 0.00 -0.48 -0.09 0.00 -0.71 0.00 0.00 39.64 38.36 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 0.65 0.09 0.56 1.39 2.01 -1.26 -4.11 115.64 114.97 1f43 s THR 41 Ca 0.00 -0.73 0.37 0.00 0.31 0.00 0.00 61.69 61.63 1f43 s THR 41 Cb 0.00 -0.65 0.55 0.00 0.01 0.00 0.00 72.50 72.41 1f43 s THR 41 CO 0.00 -0.40 1.74 1.55 -0.69 0.00 0.00 174.62 176.82 1f43 h PRO 42 N 3.89 0.00 0.00 4.92 0.13 -1.92 1.18 132.00 140.20 1f43 h PRO 42 Ca -0.31 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.61 1f43 h PRO 42 Cb 1.19 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 1f43 h PRO 42 CO 0.43 0.00 -1.10 1.25 -0.23 0.00 0.00 178.00 178.35 1f43 h LEU 43 N 0.00 0.00 0.00 1.56 5.85 -1.95 -3.33 115.31 117.44 1f43 h LEU 43 Ca 0.57 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 59.28 1f43 h LEU 43 Cb 2.39 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 43.42 1f43 h LEU 43 CO -0.01 0.93 -0.08 1.56 -0.34 0.00 0.00 178.44 180.50 1f43 h GLN 44 N 0.00 0.00 -1.32 1.25 1.08 0.76 -3.16 115.11 113.72 1f43 h GLN 44 Ca -0.07 0.00 0.42 0.00 -1.45 0.00 0.00 58.65 57.55 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 0.11 0.11 0.90 1.33 -0.95 0.00 0.00 178.83 180.33 1f43 n VAL 45 N -4.74 -0.11 -0.06 -0.54 0.24 0.14 0.30 118.33 113.55 1f43 n VAL 45 Ca -0.02 1.33 -0.07 0.00 -2.04 0.00 0.00 64.34 63.55 1f43 n VAL 45 Cb 0.09 -2.20 -0.05 0.00 -1.47 0.00 0.00 33.84 30.21 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 -0.26 7.34 0.11 -1.68 -2.72 114.38 117.17 1f43 h ARG 46 Ca 0.73 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 60.70 1f43 h ARG 46 Cb 2.61 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 33.69 1f43 h ARG 46 CO -0.21 0.36 -0.26 -0.39 0.10 0.00 0.00 179.97 179.57 1f43 h VAL 47 N -1.00 1.31 0.34 0.08 -1.51 -0.50 -1.49 116.25 113.48 1f43 h VAL 47 Ca -0.03 -1.43 -0.02 0.00 -1.23 0.00 0.00 66.70 63.99 1f43 h VAL 47 Cb 0.47 1.65 0.00 0.00 -2.13 0.00 0.00 31.29 31.28 1f43 h VAL 47 CO -0.02 0.45 -0.16 -0.25 -1.23 0.00 0.00 177.57 176.36 1f43 h TRP 48 N 0.35 -0.42 0.00 5.19 7.01 0.43 -2.52 115.95 125.98 1f43 h TRP 48 Ca 0.04 -0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.03 1f43 h TRP 48 Cb 0.83 0.14 -0.00 0.00 -2.10 0.00 0.00 29.16 28.03 1f43 h TRP 48 CO 0.07 -0.19 -0.02 0.74 -2.79 0.00 0.00 178.44 176.26 1f43 h PHE 49 N -0.57 0.00 1.00 2.65 0.04 -1.53 -1.50 116.94 117.03 1f43 h PHE 49 Ca -0.05 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.67 1f43 h PHE 49 Cb 0.42 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.58 1f43 h PHE 49 CO -0.02 0.02 -0.49 0.82 -0.60 0.00 0.00 178.31 178.03 1f43 h ILE 50 N 0.00 0.00 -0.13 -0.55 1.08 -0.81 1.89 117.51 118.98 1f43 h ILE 50 Ca -0.00 0.00 -0.15 0.00 -0.39 0.00 0.00 64.86 64.32 1f43 h ILE 50 Cb 0.34 0.00 0.01 0.00 -3.07 0.00 0.00 36.82 34.10 1f43 h ILE 50 CO 0.00 0.00 -0.50 -0.55 -0.69 0.00 0.00 178.15 176.41 1f43 h ASN 51 N -1.36 0.67 0.25 1.72 7.08 -1.48 0.90 115.58 123.35 1f43 h ASN 51 Ca -0.14 -0.62 -0.14 0.00 -3.08 0.00 0.00 56.30 52.32 1f43 h ASN 51 Cb 1.04 -0.20 -0.01 0.00 -2.08 0.00 0.00 38.32 37.08 1f43 h ASN 51 CO 0.22 1.17 -0.55 0.11 -2.08 0.00 0.00 177.43 176.30 1f43 h LYS 52 N 0.20 0.33 -0.32 4.14 1.79 -1.31 -3.26 116.57 118.14 1f43 h LYS 52 Ca -0.03 -0.20 -0.25 0.00 -2.18 0.00 0.00 60.65 57.99 1f43 h LYS 52 Cb 1.13 0.02 -0.23 0.00 -1.58 0.00 0.00 32.23 31.58 1f43 h LYS 52 CO 0.11 0.79 -0.71 -2.13 -1.08 0.00 0.00 179.45 176.42 1f43 n ARG 53 N -3.92 2.25 -1.52 3.15 0.00 0.64 -5.00 116.66 112.26 1f43 n ARG 53 Ca -0.02 -3.55 -0.13 0.00 -0.00 0.00 0.00 57.85 54.15 1f43 n ARG 53 Cb 0.59 -1.74 -0.10 0.00 0.00 0.00 0.00 32.46 31.21 1f43 n ARG 53 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.63 177.51 1f43 n MET 54 N -0.79 0.20 -0.24 -0.14 1.56 0.31 -4.69 117.12 113.34 1f43 n MET 54 Ca 0.27 -1.24 -0.08 0.00 -0.27 0.00 0.00 57.70 56.37 1f43 n MET 54 Cb 0.85 -3.48 0.04 0.00 2.15 0.00 0.00 33.22 32.78 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 11.68 1.12 -6.18 2.12 2.47 -1.86 -3.44 114.38 120.28 1f43 h ARG 55 Ca 0.00 -0.29 -0.56 0.00 -1.26 0.00 0.00 59.98 57.87 1f43 h ARG 55 Cb 1.01 -0.13 -0.09 0.00 -1.65 0.00 0.00 29.97 29.10 1f43 h ARG 55 CO 1.03 1.02 -0.63 0.45 0.56 0.00 0.00 179.97 182.40 1f43 s SER 56 N -6.48 4.56 0.00 7.04 0.15 -1.26 -5.27 113.70 112.44 1f43 s SER 56 Ca -0.12 -0.67 0.00 0.00 0.70 0.00 0.00 55.95 55.86 1f43 s SER 56 Cb 0.14 -0.83 0.00 0.00 -1.71 0.00 0.00 66.02 63.63 1f43 s SER 56 CO 0.85 -0.05 0.49 1.17 1.20 0.00 0.00 173.24 176.91