#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f43 n LYS -2 N 0.00 1.65 -2.91 1.64 2.85 -1.26 -5.04 118.16 115.09 1f43 n LYS -2 Ca 0.00 -2.60 -0.03 0.00 -1.05 0.00 0.00 58.31 54.63 1f43 n LYS -2 Cb 0.00 -1.55 0.00 0.00 -0.65 0.00 0.00 35.03 32.83 1f43 n LYS -2 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 1f43 n GLU -1 N -1.23 -2.41 -3.36 -1.58 2.13 -1.26 -4.96 120.64 107.98 1f43 n GLU -1 Ca 0.17 2.10 -0.38 0.00 0.66 0.00 0.00 57.16 59.70 1f43 n GLU -1 Cb 0.68 -4.03 -0.06 0.00 0.27 0.00 0.00 31.44 28.30 1f43 n GLU -1 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1f43 s LYS 0 N -1.61 4.16 -0.42 5.31 1.02 -1.26 -5.02 119.74 121.91 1f43 s LYS 0 Ca 0.05 0.54 0.09 0.00 0.02 0.00 0.00 55.97 56.67 1f43 s LYS 0 Cb -0.01 -3.30 0.30 0.00 -0.52 0.00 0.00 37.83 34.29 1f43 s LYS 0 CO 0.57 0.48 0.66 0.45 -0.92 0.00 0.00 175.35 176.59 1f43 n SER 1 N 2.46 1.08 -4.57 2.83 2.88 -1.26 -5.10 113.62 111.94 1f43 n SER 1 Ca -0.10 -2.96 -0.48 0.00 -1.33 0.00 0.00 58.87 54.00 1f43 n SER 1 Cb 0.52 -0.63 -0.05 0.00 -0.75 0.00 0.00 64.21 63.30 1f43 n SER 1 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 1f43 n PRO 2 N 0.78 1.72 0.00 -1.46 -0.02 -1.26 -4.89 135.00 129.86 1f43 n PRO 2 Ca 0.24 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 1f43 n PRO 2 Cb 0.56 -2.75 0.00 0.00 -0.02 0.00 0.00 33.50 31.29 1f43 n PRO 2 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1f43 n LYS 3 N 7.81 0.00 0.00 -0.52 4.81 -1.26 -5.11 118.16 123.89 1f43 n LYS 3 Ca 0.31 0.14 0.00 0.00 -0.87 0.00 0.00 58.31 57.89 1f43 n LYS 3 Cb 0.31 -0.52 0.00 0.00 0.02 0.00 0.00 35.03 34.84 1f43 n LYS 3 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1f43 n GLY 4 N 2.06 0.42 3.00 3.14 0.00 -1.26 -5.00 105.19 107.54 1f43 n GLY 4 Ca 0.00 -1.10 -0.08 0.00 0.00 0.00 0.00 46.02 44.84 1f43 n GLY 4 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1f43 n LYS 5 N -0.66 -1.69 -3.60 1.61 4.76 -1.26 -3.41 118.16 113.92 1f43 n LYS 5 Ca 0.00 1.01 -0.22 0.00 -2.87 0.00 0.00 58.31 56.24 1f43 n LYS 5 Cb 0.00 -5.35 0.07 0.00 -1.84 0.00 0.00 35.03 27.91 1f43 n LYS 5 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1f43 n SER 6 N -2.52 -3.46 0.14 4.39 2.88 -1.26 -4.85 113.62 108.94 1f43 n SER 6 Ca -0.04 -0.66 0.18 0.00 -1.33 0.00 0.00 58.87 57.02 1f43 n SER 6 Cb 0.57 -4.70 0.77 0.00 -0.75 0.00 0.00 64.21 60.10 1f43 n SER 6 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1f43 h SER 7 N -2.15 0.00 -1.96 -3.46 4.64 -1.94 -3.42 113.55 105.26 1f43 h SER 7 Ca -0.59 0.00 -0.43 0.00 -0.47 0.00 0.00 61.79 60.30 1f43 h SER 7 Cb 1.36 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.47 1f43 h SER 7 CO 0.55 0.00 -0.20 -0.51 -0.87 0.00 0.00 176.83 175.80 1f43 s ILE 8 N -4.74 3.29 0.71 0.95 2.07 -1.26 -4.96 121.20 117.27 1f43 s ILE 8 Ca -0.05 -0.85 -0.12 0.00 -1.41 0.00 0.00 60.65 58.23 1f43 s ILE 8 Cb 0.16 -3.16 0.18 0.00 0.13 0.00 0.00 42.46 39.78 1f43 s ILE 8 CO 0.59 -0.08 0.47 -1.20 -1.91 0.00 0.00 174.94 172.82 1f43 n SER 9 N -1.96 -2.63 0.20 4.50 7.64 -1.26 -4.65 113.62 115.46 1f43 n SER 9 Ca 0.05 -0.57 0.16 0.00 1.01 0.00 0.00 58.87 59.53 1f43 n SER 9 Cb 0.59 -0.51 0.67 0.00 -1.01 0.00 0.00 64.21 63.95 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 -0.69 1.43 0.13 -1.99 -0.11 132.00 130.77 1f43 h PRO 10 Ca -0.20 0.00 0.20 0.00 -0.87 0.00 0.00 66.00 65.13 1f43 h PRO 10 Cb 0.66 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.76 1f43 h PRO 10 CO 0.12 0.00 0.76 1.96 -0.23 0.00 0.00 178.00 180.62 1f43 h GLN 11 N 0.00 0.00 -0.57 0.86 4.20 -1.96 -1.05 115.11 116.60 1f43 h GLN 11 Ca 0.11 0.00 0.09 0.00 0.06 0.00 0.00 58.65 58.91 1f43 h GLN 11 Cb 1.16 0.00 -0.11 0.00 0.30 0.00 0.00 27.48 28.83 1f43 h GLN 11 CO -0.00 0.00 -0.41 0.00 -0.67 0.00 0.00 178.83 177.75 1f43 h ALA 12 N 1.12 -0.25 0.14 3.87 0.00 -1.27 2.69 119.26 125.56 1f43 h ALA 12 Ca 0.33 0.12 -0.29 0.00 0.00 0.00 0.00 54.91 55.07 1f43 h ALA 12 Cb 1.84 0.90 0.01 0.00 0.00 0.00 0.00 17.79 20.54 1f43 h ALA 12 CO -0.00 -0.79 -1.35 0.07 0.00 0.00 0.00 179.25 177.18 1f43 h ARG 13 N -0.22 0.30 0.31 0.00 0.11 -1.47 -3.12 114.38 110.28 1f43 h ARG 13 Ca 0.19 -0.51 -0.02 0.00 0.10 0.00 0.00 59.98 59.75 1f43 h ARG 13 Cb 0.56 0.19 0.00 0.00 1.11 0.00 0.00 29.97 31.83 1f43 h ARG 13 CO -0.68 1.22 -0.15 0.00 0.10 0.00 0.00 179.97 180.47 1f43 h ALA 14 N 0.51 -0.41 -0.38 0.08 0.00 -0.80 1.19 119.26 119.44 1f43 h ALA 14 Ca -0.18 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 54.63 1f43 h ALA 14 Cb 2.01 0.16 -0.07 0.00 0.00 0.00 0.00 17.79 19.89 1f43 h ALA 14 CO 0.20 -0.57 -0.03 0.27 0.00 0.00 0.00 179.25 179.12 1f43 h PHE 15 N -0.74 -0.08 -0.12 0.00 -5.15 0.46 -0.23 116.94 111.08 1f43 h PHE 15 Ca -0.04 0.03 -0.14 0.00 -0.20 0.00 0.00 57.97 57.61 1f43 h PHE 15 Cb 0.50 0.09 -0.01 0.00 0.22 0.00 0.00 35.95 36.75 1f43 h PHE 15 CO 0.02 -0.11 -0.55 1.25 -2.00 0.00 0.00 178.31 176.93 1f43 h LEU 16 N 0.07 0.39 -0.28 2.10 5.85 -1.55 -1.99 115.31 119.91 1f43 h LEU 16 Ca 0.19 -0.20 0.06 0.00 0.84 0.00 0.00 57.88 58.77 1f43 h LEU 16 Cb 0.27 -0.11 -0.08 0.00 0.37 0.00 0.00 40.66 41.12 1f43 h LEU 16 CO -0.34 0.86 -0.33 -0.33 -0.34 0.00 0.00 178.44 177.96 1f43 h GLU 17 N 0.27 -0.31 -0.14 1.25 4.39 0.32 0.62 114.58 120.98 1f43 h GLU 17 Ca 0.00 0.02 -0.13 0.00 0.34 0.00 0.00 59.36 59.59 1f43 h GLU 17 Cb 1.05 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.76 1f43 h GLU 17 CO 0.09 -0.21 -0.48 -0.56 -1.16 0.00 0.00 179.01 176.69 1f43 h GLN 18 N -0.32 0.36 0.45 2.33 3.07 -1.27 -1.09 115.11 118.64 1f43 h GLN 18 Ca 0.13 -0.20 -0.02 0.00 0.09 0.00 0.00 58.65 58.65 1f43 h GLN 18 Cb 0.54 0.01 0.00 0.00 0.08 0.00 0.00 27.48 28.12 1f43 h GLN 18 CO -0.45 0.77 -0.23 0.28 0.09 0.00 0.00 178.83 179.29 1f43 h VAL 19 N 0.29 0.00 0.00 1.86 2.07 -0.29 -0.56 116.25 119.62 1f43 h VAL 19 Ca 0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.54 1f43 h VAL 19 Cb 0.95 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1f43 h VAL 19 CO 0.08 0.00 0.00 0.15 0.02 0.00 0.00 177.57 177.82 1f43 h PHE 20 N -0.62 0.00 -0.17 1.57 3.04 0.10 -1.53 116.94 119.33 1f43 h PHE 20 Ca -0.06 0.00 -0.17 0.00 3.98 0.00 0.00 57.97 61.72 1f43 h PHE 20 Cb 0.48 0.00 0.01 0.00 2.56 0.00 0.00 35.95 38.99 1f43 h PHE 20 CO 0.10 0.00 -0.57 -0.09 -2.02 0.00 0.00 178.31 175.74 1f43 h ARG 21 N 0.00 0.69 -0.81 1.11 9.65 -0.66 -3.20 114.38 121.16 1f43 h ARG 21 Ca 0.00 -0.51 -0.01 0.00 -1.10 0.00 0.00 59.98 58.36 1f43 h ARG 21 Cb 0.04 0.09 -0.04 0.00 -1.39 0.00 0.00 29.97 28.67 1f43 h ARG 21 CO 0.00 1.13 0.46 0.00 2.80 0.00 0.00 179.97 184.36 1f43 h ARG 22 N 0.38 1.11 0.00 0.20 2.47 -0.05 -3.48 114.38 115.01 1f43 h ARG 22 Ca -0.02 -0.12 0.00 0.00 -1.26 0.00 0.00 59.98 58.58 1f43 h ARG 22 Cb 1.19 -0.22 0.00 0.00 -1.65 0.00 0.00 29.97 29.29 1f43 h ARG 22 CO 0.12 0.80 0.00 0.36 0.56 0.00 0.00 179.97 181.81 1f43 n LYS 23 N -4.43 0.00 0.01 0.04 2.85 -1.16 -5.10 118.16 110.37 1f43 n LYS 23 Ca 0.08 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.34 1f43 n LYS 23 Cb 0.08 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.46 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 -2.63 -1.58 1.13 -1.26 -4.22 117.38 108.82 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 -0.14 0.00 0.00 0.11 0.00 0.00 30.24 30.21 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 -2.72 4.96 -4.73 1.08 2.88 -1.26 -4.98 113.62 108.85 1f43 n SER 25 Ca 0.00 -2.95 -0.41 0.00 -1.33 0.00 0.00 58.87 54.18 1f43 n SER 25 Cb 0.12 -1.66 -0.04 0.00 -0.75 0.00 0.00 64.21 61.88 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 2.81 4.46 0.61 2.46 1.43 -1.26 -5.04 118.68 124.15 1f43 s LEU 26 Ca 0.48 2.02 0.07 0.00 -1.03 0.00 0.00 54.13 55.68 1f43 s LEU 26 Cb 0.03 -3.60 0.10 0.00 0.03 0.00 0.00 46.19 42.75 1f43 s LEU 26 CO 0.03 -0.25 0.84 0.20 0.23 0.00 0.00 176.35 177.41 1f43 s ASN 27 N 0.19 4.91 0.57 2.29 0.01 -1.26 -4.65 114.94 116.99 1f43 s ASN 27 Ca 0.51 -0.77 0.30 0.00 -0.71 0.00 0.00 52.86 52.19 1f43 s ASN 27 Cb -0.28 0.28 1.45 0.00 0.41 0.00 0.00 41.25 43.11 1f43 s ASN 27 CO 0.33 -1.48 1.86 0.28 -1.51 0.00 0.00 177.10 176.58 1f43 h SER 28 N 0.00 0.00 0.01 -1.22 0.02 -1.97 1.73 113.55 112.13 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 1.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.82 1f43 h SER 28 CO 0.40 0.00 -0.01 0.11 -1.14 0.00 0.00 176.83 176.20 1f43 h LYS 29 N 0.00 -0.02 -0.31 3.45 6.56 -1.98 -2.78 116.57 121.49 1f43 h LYS 29 Ca 0.30 0.00 -0.17 0.00 -1.06 0.00 0.00 60.65 59.72 1f43 h LYS 29 Cb 1.44 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 33.10 1f43 h LYS 29 CO -0.00 0.78 -0.47 0.93 -2.06 0.00 0.00 179.45 178.62 1f43 h GLU 30 N -0.92 0.84 -0.57 3.15 5.08 -1.42 1.06 114.58 121.80 1f43 h GLU 30 Ca -0.00 -0.48 0.03 0.00 -1.00 0.00 0.00 59.36 57.90 1f43 h GLU 30 Cb 0.80 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.06 1f43 h GLU 30 CO 0.00 1.12 0.38 1.57 -1.00 0.00 0.00 179.01 181.08 1f43 h LYS 31 N 0.66 0.67 0.11 2.33 2.10 0.24 2.23 116.57 124.90 1f43 h LYS 31 Ca 0.03 -0.04 -0.35 0.00 -2.00 0.00 0.00 60.65 58.30 1f43 h LYS 31 Cb 1.06 -0.15 -0.02 0.00 -0.90 0.00 0.00 32.23 32.22 1f43 h LYS 31 CO 0.11 0.44 -1.91 1.05 -2.00 0.00 0.00 179.45 177.14 1f43 h GLU 32 N 0.69 0.23 -0.10 0.07 4.11 -1.25 -2.54 114.58 115.78 1f43 h GLU 32 Ca 0.22 -0.39 -0.18 0.00 0.07 0.00 0.00 59.36 59.09 1f43 h GLU 32 Cb 0.04 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1f43 h GLU 32 CO -0.06 1.09 -0.68 0.93 0.07 0.00 0.00 179.01 180.35 1f43 h GLU 33 N 0.06 0.42 0.23 1.06 4.39 0.15 -2.64 114.58 118.25 1f43 h GLU 33 Ca -0.39 -0.32 -0.33 0.00 0.34 0.00 0.00 59.36 58.66 1f43 h GLU 33 Cb 2.04 0.06 0.03 0.00 -0.10 0.00 0.00 28.75 30.78 1f43 h GLU 33 CO 0.10 0.95 -1.43 0.28 -1.16 0.00 0.00 179.01 177.75 1f43 h VAL 34 N 0.30 1.32 0.00 3.13 2.07 0.35 -3.00 116.25 120.42 1f43 h VAL 34 Ca -0.02 -2.74 -0.04 0.00 0.82 0.00 0.00 66.70 64.71 1f43 h VAL 34 Cb 1.25 3.00 -0.01 0.00 -1.52 0.00 0.00 31.29 34.01 1f43 h VAL 34 CO 0.12 0.82 -0.20 0.00 0.02 0.00 0.00 177.57 178.33 1f43 h ALA 35 N 0.24 1.66 0.00 1.67 0.00 -1.47 0.82 119.26 122.18 1f43 h ALA 35 Ca -0.23 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.45 1f43 h ALA 35 Cb 2.12 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.87 1f43 h ALA 35 CO 0.26 0.24 -0.88 1.57 0.00 0.00 0.00 179.25 180.45 1f43 h LYS 36 N 0.00 0.00 0.00 0.00 2.10 -1.54 0.87 116.57 118.01 1f43 h LYS 36 Ca -0.00 0.00 -0.32 0.00 -2.00 0.00 0.00 60.65 58.33 1f43 h LYS 36 Cb 0.35 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 31.62 1f43 h LYS 36 CO 0.03 0.12 -2.20 0.36 -2.00 0.00 0.00 179.45 175.75 1f43 n LYS 37 N -2.86 1.11 -0.02 0.07 2.85 -1.03 -4.52 118.16 113.77 1f43 n LYS 37 Ca -0.01 -0.00 -0.08 0.00 -1.05 0.00 0.00 58.31 57.16 1f43 n LYS 37 Cb 0.64 -1.45 -0.14 0.00 -0.65 0.00 0.00 35.03 33.43 1f43 n LYS 37 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1f43 n GLY 39 N 1.55 1.80 0.00 0.00 0.00 -0.96 -4.75 105.19 102.84 1f43 n GLY 39 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.43 0.00 -3.69 -0.61 5.41 0.30 -4.98 119.36 115.36 1f43 n ILE 40 Ca 0.00 0.00 -0.12 0.00 1.00 0.00 0.00 62.75 63.63 1f43 n ILE 40 Cb 0.00 -0.67 -0.06 0.00 -0.71 0.00 0.00 39.64 38.19 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 1.42 0.06 0.59 1.39 2.01 -1.26 -4.16 115.64 115.69 1f43 s THR 41 Ca 0.00 -0.54 0.29 0.00 0.31 0.00 0.00 61.69 61.76 1f43 s THR 41 Cb 0.00 -0.97 0.40 0.00 0.01 0.00 0.00 72.50 71.93 1f43 s THR 41 CO 0.00 -0.30 1.74 -0.65 -0.69 0.00 0.00 174.62 174.72 1f43 h PRO 42 N 3.00 0.00 0.00 4.92 0.11 -1.92 0.90 132.00 139.00 1f43 h PRO 42 Ca -0.32 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.55 1f43 h PRO 42 Cb 1.21 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.28 1f43 h PRO 42 CO 0.45 0.00 -1.47 1.25 -0.21 0.00 0.00 178.00 178.02 1f43 h LEU 43 N 0.00 0.00 0.00 2.35 5.85 -1.95 -3.36 115.31 118.20 1f43 h LEU 43 Ca 0.31 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 59.02 1f43 h LEU 43 Cb 1.71 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.74 1f43 h LEU 43 CO -0.00 0.90 -0.15 1.56 -0.34 0.00 0.00 178.44 180.40 1f43 h GLN 44 N 0.00 0.00 -1.26 1.25 1.08 0.12 -3.14 115.11 113.15 1f43 h GLN 44 Ca -0.20 0.00 0.41 0.00 -1.45 0.00 0.00 58.65 57.41 1f43 h GLN 44 Cb 1.86 0.00 -0.10 0.00 -0.05 0.00 0.00 27.48 29.19 1f43 h GLN 44 CO 0.08 0.15 0.85 1.33 -0.95 0.00 0.00 178.83 180.29 1f43 n VAL 45 N -4.72 -0.14 -0.06 -0.54 0.24 0.18 0.29 118.33 113.60 1f43 n VAL 45 Ca -0.04 1.36 -0.02 0.00 -2.04 0.00 0.00 64.34 63.60 1f43 n VAL 45 Cb 0.13 -2.25 -0.02 0.00 -1.47 0.00 0.00 33.84 30.24 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 -0.20 7.34 0.11 -1.71 -2.86 114.38 117.06 1f43 h ARG 46 Ca 0.72 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 60.71 1f43 h ARG 46 Cb 2.53 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 33.60 1f43 h ARG 46 CO -0.26 0.12 -0.23 -0.39 0.10 0.00 0.00 179.97 179.32 1f43 h VAL 47 N -1.00 1.33 0.57 0.08 -1.51 -0.63 -1.78 116.25 113.31 1f43 h VAL 47 Ca -0.01 -1.41 -0.03 0.00 -1.23 0.00 0.00 66.70 64.03 1f43 h VAL 47 Cb 0.18 1.79 0.01 0.00 -2.13 0.00 0.00 31.29 31.13 1f43 h VAL 47 CO -0.00 0.43 -0.27 -0.25 -1.23 0.00 0.00 177.57 176.24 1f43 h TRP 48 N 0.18 -0.71 0.00 5.19 7.01 0.41 -2.22 115.95 125.82 1f43 h TRP 48 Ca 0.03 -0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.00 1f43 h TRP 48 Cb 0.79 0.23 -0.00 0.00 -2.10 0.00 0.00 29.16 28.08 1f43 h TRP 48 CO 0.08 -0.43 -0.05 0.74 -2.79 0.00 0.00 178.44 175.99 1f43 h PHE 49 N -0.78 0.00 0.16 2.65 0.04 -1.53 0.24 116.94 117.72 1f43 h PHE 49 Ca -0.08 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.69 1f43 h PHE 49 Cb 0.59 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.74 1f43 h PHE 49 CO -0.03 0.05 -0.09 0.82 -0.60 0.00 0.00 178.31 178.45 1f43 h ILE 50 N 0.00 0.80 0.24 -0.55 1.08 -0.71 1.76 117.51 120.12 1f43 h ILE 50 Ca -0.00 0.00 -0.33 0.00 -0.39 0.00 0.00 64.86 64.14 1f43 h ILE 50 Cb 0.11 0.80 0.03 0.00 -3.07 0.00 0.00 36.82 34.69 1f43 h ILE 50 CO 0.01 0.00 -1.49 0.78 -0.69 0.00 0.00 178.15 176.76 1f43 h ASN 51 N -0.25 0.78 1.37 1.72 2.35 -1.10 0.61 115.58 121.08 1f43 h ASN 51 Ca -0.02 -0.87 -0.03 0.00 -0.55 0.00 0.00 56.30 54.84 1f43 h ASN 51 Cb 0.20 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.31 1f43 h ASN 51 CO 0.02 1.68 -0.15 0.11 -1.65 0.00 0.00 177.43 177.45 1f43 h LYS 52 N 0.14 0.00 -0.01 0.81 6.56 -0.53 -3.29 116.57 120.24 1f43 h LYS 52 Ca -0.25 0.00 -0.14 0.00 -1.06 0.00 0.00 60.65 59.20 1f43 h LYS 52 Cb 2.15 0.00 -0.29 0.00 -0.57 0.00 0.00 32.23 33.51 1f43 h LYS 52 CO 0.26 0.15 -0.91 -2.13 -2.06 0.00 0.00 179.45 174.76 1f43 n ARG 53 N -3.20 0.44 -1.52 3.15 0.63 0.60 -4.99 116.66 111.76 1f43 n ARG 53 Ca 0.02 -2.36 -0.21 0.00 -0.92 0.00 0.00 57.85 54.38 1f43 n ARG 53 Cb 0.48 -0.44 -0.16 0.00 0.45 0.00 0.00 32.46 32.80 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 0.08 0.26 -0.02 -0.14 1.56 0.21 -4.71 117.12 114.36 1f43 n MET 54 Ca 0.09 -0.32 -0.17 0.00 -0.27 0.00 0.00 57.70 57.04 1f43 n MET 54 Cb 1.03 -2.16 -0.08 0.00 2.15 0.00 0.00 33.22 34.16 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 12.13 0.65 -6.98 2.12 2.47 -1.87 -3.48 114.38 119.42 1f43 h ARG 55 Ca 0.01 -0.55 -0.57 0.00 -1.26 0.00 0.00 59.98 57.61 1f43 h ARG 55 Cb 1.10 0.12 -0.11 0.00 -1.65 0.00 0.00 29.97 29.43 1f43 h ARG 55 CO 1.36 1.16 -0.92 0.45 0.56 0.00 0.00 179.97 182.58 1f43 n SER 56 N -4.08 -1.46 0.00 7.04 2.88 -1.26 -5.27 113.62 111.46 1f43 n SER 56 Ca -0.08 -1.21 0.00 0.00 -1.33 0.00 0.00 58.87 56.25 1f43 n SER 56 Cb 0.69 -1.47 0.00 0.00 -0.75 0.00 0.00 64.21 62.68 1f43 n SER 56 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10