#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 0.17 0.01 1.97 1.02 -1.26 -5.03 119.74 116.61 1f43 s LYS -2 Ca 0.00 -0.12 -0.01 0.00 0.02 0.00 0.00 55.97 55.86 1f43 s LYS -2 Cb 0.00 -0.13 0.00 0.00 -0.52 0.00 0.00 37.83 37.18 1f43 s LYS -2 CO 0.00 0.03 0.01 0.39 -0.92 0.00 0.00 175.35 174.87 1f43 n GLU -1 N 2.90 -5.02 -1.68 1.68 1.02 -1.26 -4.80 120.64 113.47 1f43 n GLU -1 Ca -0.13 3.64 -0.45 0.00 -0.02 0.00 0.00 57.16 60.20 1f43 n GLU -1 Cb 0.59 -4.62 -0.04 0.00 -0.02 0.00 0.00 31.44 27.35 1f43 n GLU -1 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1f43 n LYS 0 N 1.86 2.39 -0.61 3.49 2.85 -1.26 -4.95 118.16 121.93 1f43 n LYS 0 Ca -0.02 0.87 -0.29 0.00 -1.05 0.00 0.00 58.31 57.81 1f43 n LYS 0 Cb 0.03 -2.69 0.22 0.00 -0.65 0.00 0.00 35.03 31.94 1f43 n LYS 0 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 1f43 s SER 1 N 1.90 1.74 0.57 -5.58 1.04 -1.26 -4.96 113.70 107.15 1f43 s SER 1 Ca 0.81 1.79 -0.19 0.00 0.48 0.00 0.00 55.95 58.84 1f43 s SER 1 Cb -0.61 -2.41 -0.05 0.00 0.10 0.00 0.00 66.02 63.05 1f43 s SER 1 CO 0.39 -3.77 1.19 -2.16 0.98 0.00 0.00 173.24 169.87 1f43 s PRO 2 N -4.54 3.14 0.12 4.02 0.04 -1.26 -5.05 135.00 131.47 1f43 s PRO 2 Ca 0.68 1.79 0.07 0.00 0.04 0.00 0.00 61.00 63.58 1f43 s PRO 2 Cb -0.24 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.27 1f43 s PRO 2 CO 0.62 -1.06 -0.18 0.15 0.04 0.00 0.00 177.00 176.57 1f43 s LYS 3 N -3.25 1.10 -0.03 4.56 1.02 -1.26 -5.15 119.74 116.73 1f43 s LYS 3 Ca 0.75 -1.23 -0.02 0.00 0.02 0.00 0.00 55.97 55.49 1f43 s LYS 3 Cb -0.29 -1.18 -0.04 0.00 -0.52 0.00 0.00 37.83 35.80 1f43 s LYS 3 CO 0.32 0.25 0.12 0.20 -0.92 0.00 0.00 175.35 175.32 1f43 s GLY 4 N -2.24 2.08 1.01 -3.33 0.00 -1.26 -5.09 107.32 98.49 1f43 s GLY 4 Ca 0.09 -0.79 -0.12 0.00 0.00 0.00 0.00 44.72 43.90 1f43 s GLY 4 CO 0.04 -0.64 0.98 0.58 0.00 0.00 0.00 173.10 174.06 1f43 n LYS 5 N 1.32 -1.14 0.00 2.90 0.00 -1.26 -3.48 118.16 116.50 1f43 n LYS 5 Ca -0.14 -0.28 0.00 0.00 -0.00 0.00 0.00 58.31 57.89 1f43 n LYS 5 Cb 0.53 -2.23 0.00 0.00 -0.00 0.00 0.00 35.03 33.33 1f43 n LYS 5 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1f43 n SER 6 N -4.07 0.00 0.00 -5.58 7.64 -1.26 -4.78 113.62 105.57 1f43 n SER 6 Ca 0.08 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.96 1f43 n SER 6 Cb 0.53 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 1f43 n SER 6 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1f43 n SER 7 N 2.05 0.00 -3.92 6.43 2.88 -1.23 -4.71 113.62 115.13 1f43 n SER 7 Ca 0.00 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.45 1f43 n SER 7 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 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 0.00 0.01 0.91 2.46 2.07 -1.26 -5.12 121.20 120.27 1f43 s ILE 8 Ca 0.00 -1.20 -0.14 0.00 -1.41 0.00 0.00 60.65 57.90 1f43 s ILE 8 Cb 0.00 -2.04 0.22 0.00 0.13 0.00 0.00 42.46 40.77 1f43 s ILE 8 CO 0.00 -0.02 0.50 -1.20 -1.91 0.00 0.00 174.94 172.30 1f43 n SER 9 N -0.39 -3.16 0.13 4.50 7.64 -1.26 -4.57 113.62 116.51 1f43 n SER 9 Ca -0.04 -0.50 0.19 0.00 1.01 0.00 0.00 58.87 59.53 1f43 n SER 9 Cb 0.61 -0.64 0.70 0.00 -1.01 0.00 0.00 64.21 63.87 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 -0.88 1.43 0.13 -2.02 0.28 132.00 130.94 1f43 h PRO 10 Ca -0.23 0.00 0.25 0.00 -0.87 0.00 0.00 66.00 65.16 1f43 h PRO 10 Cb 0.76 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.86 1f43 h PRO 10 CO 0.14 0.00 0.79 1.96 -0.23 0.00 0.00 178.00 180.66 1f43 h GLN 11 N 0.00 0.00 -0.74 0.86 4.20 -1.95 -1.42 115.11 116.06 1f43 h GLN 11 Ca 0.17 0.00 0.09 0.00 0.06 0.00 0.00 58.65 58.97 1f43 h GLN 11 Cb 1.22 0.00 -0.11 0.00 0.30 0.00 0.00 27.48 28.88 1f43 h GLN 11 CO -0.00 0.00 -0.50 0.00 -0.67 0.00 0.00 178.83 177.66 1f43 h ALA 12 N 1.23 -0.40 0.10 3.87 0.00 -1.18 2.73 119.26 125.62 1f43 h ALA 12 Ca 0.42 0.12 -0.27 0.00 0.00 0.00 0.00 54.91 55.17 1f43 h ALA 12 Cb 2.00 1.12 -0.01 0.00 0.00 0.00 0.00 17.79 20.91 1f43 h ALA 12 CO -0.00 -0.88 -1.32 0.07 0.00 0.00 0.00 179.25 177.12 1f43 h ARG 13 N -0.16 0.21 0.52 0.00 0.11 -1.54 -3.07 114.38 110.45 1f43 h ARG 13 Ca 0.18 -0.35 -0.03 0.00 0.10 0.00 0.00 59.98 59.88 1f43 h ARG 13 Cb 0.53 0.13 0.01 0.00 1.11 0.00 0.00 29.97 31.75 1f43 h ARG 13 CO -0.79 1.11 -0.25 0.00 0.10 0.00 0.00 179.97 180.14 1f43 h ALA 14 N 0.64 -0.70 -0.48 0.08 0.00 -0.57 1.53 119.26 119.77 1f43 h ALA 14 Ca -0.16 -0.19 0.09 0.00 0.00 0.00 0.00 54.91 54.65 1f43 h ALA 14 Cb 1.96 0.27 -0.07 0.00 0.00 0.00 0.00 17.79 19.94 1f43 h ALA 14 CO 0.17 -0.73 0.06 0.27 0.00 0.00 0.00 179.25 179.02 1f43 h PHE 15 N -1.02 0.08 -0.50 0.00 -5.15 0.46 -0.15 116.94 110.66 1f43 h PHE 15 Ca -0.07 0.03 -0.12 0.00 -0.20 0.00 0.00 57.97 57.61 1f43 h PHE 15 Cb 0.62 0.04 -0.02 0.00 0.22 0.00 0.00 35.95 36.81 1f43 h PHE 15 CO 0.01 -0.05 -0.16 1.25 -2.00 0.00 0.00 178.31 177.36 1f43 h LEU 16 N 0.18 0.99 -0.33 2.10 7.12 -1.53 -1.59 115.31 122.25 1f43 h LEU 16 Ca 0.24 -0.35 0.04 0.00 0.13 0.00 0.00 57.88 57.94 1f43 h LEU 16 Cb 0.33 -0.27 -0.07 0.00 -0.53 0.00 0.00 40.66 40.13 1f43 h LEU 16 CO -0.35 1.13 -0.46 -0.33 -0.13 0.00 0.00 178.44 178.31 1f43 h GLU 17 N 0.86 -0.32 -0.30 1.25 4.39 0.40 0.80 114.58 121.66 1f43 h GLU 17 Ca 0.12 0.02 -0.06 0.00 0.34 0.00 0.00 59.36 59.79 1f43 h GLU 17 Cb 0.73 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.43 1f43 h GLU 17 CO 0.06 -0.21 -0.06 -0.56 -1.16 0.00 0.00 179.01 177.07 1f43 h GLN 18 N -0.33 0.49 0.33 2.33 3.07 -1.32 -0.17 115.11 119.50 1f43 h GLN 18 Ca 0.06 -0.12 -0.01 0.00 0.09 0.00 0.00 58.65 58.67 1f43 h GLN 18 Cb 0.49 -0.06 -0.00 0.00 0.08 0.00 0.00 27.48 27.99 1f43 h GLN 18 CO -0.49 0.56 -0.21 0.28 0.09 0.00 0.00 178.83 179.06 1f43 h VAL 19 N 0.46 0.00 0.00 1.86 2.07 0.18 0.20 116.25 121.02 1f43 h VAL 19 Ca 0.09 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.61 1f43 h VAL 19 Cb 0.40 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.17 1f43 h VAL 19 CO 0.02 0.00 0.00 0.15 0.02 0.00 0.00 177.57 177.76 1f43 h PHE 20 N -0.50 0.00 0.17 1.57 3.04 0.52 -1.67 116.94 120.07 1f43 h PHE 20 Ca -0.04 0.00 -0.30 0.00 3.98 0.00 0.00 57.97 61.60 1f43 h PHE 20 Cb 0.40 0.00 0.01 0.00 2.56 0.00 0.00 35.95 38.93 1f43 h PHE 20 CO 0.01 0.00 -1.40 -0.09 -2.02 0.00 0.00 178.31 174.81 1f43 h ARG 21 N 0.00 0.36 -0.75 1.11 9.65 -0.24 -3.30 114.38 121.21 1f43 h ARG 21 Ca 0.00 -0.62 0.02 0.00 -1.10 0.00 0.00 59.98 58.28 1f43 h ARG 21 Cb 0.08 0.23 -0.04 0.00 -1.39 0.00 0.00 29.97 28.85 1f43 h ARG 21 CO 0.00 1.28 0.49 0.00 2.80 0.00 0.00 179.97 184.54 1f43 h ARG 22 N 0.10 0.94 0.00 0.20 3.08 0.37 -3.47 114.38 115.60 1f43 h ARG 22 Ca -0.20 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.79 1f43 h ARG 22 Cb 2.05 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 31.89 1f43 h ARG 22 CO 0.22 0.62 0.00 0.36 -1.07 0.00 0.00 179.97 180.10 1f43 n LYS 23 N -4.44 0.00 0.00 0.04 2.85 -1.22 -5.10 118.16 110.29 1f43 n LYS 23 Ca 0.09 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.35 1f43 n LYS 23 Cb 0.07 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.45 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 -2.02 -1.58 1.13 -1.26 -4.59 117.38 109.06 1f43 n GLN 24 Ca 0.00 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.64 1f43 n GLN 24 Cb 0.00 -0.04 0.00 0.00 0.11 0.00 0.00 30.24 30.31 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 -2.38 4.37 -4.60 1.08 2.88 -1.26 -4.95 113.62 108.76 1f43 n SER 25 Ca 0.00 -2.93 -0.43 0.00 -1.33 0.00 0.00 58.87 54.18 1f43 n SER 25 Cb 0.00 -1.61 -0.02 0.00 -0.75 0.00 0.00 64.21 61.83 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 1.60 3.61 0.70 2.46 1.43 -1.26 -4.97 118.68 122.25 1f43 s LEU 26 Ca 0.45 0.94 0.03 0.00 -1.03 0.00 0.00 54.13 54.52 1f43 s LEU 26 Cb 0.11 -3.54 0.13 0.00 0.03 0.00 0.00 46.19 42.93 1f43 s LEU 26 CO -0.05 -1.43 0.96 0.54 0.23 0.00 0.00 176.35 176.60 1f43 s ASN 27 N 4.08 4.47 0.54 2.29 4.22 -1.26 -4.53 114.94 124.75 1f43 s ASN 27 Ca 0.63 -0.65 0.41 0.00 -2.14 0.00 0.00 52.86 51.11 1f43 s ASN 27 Cb -0.15 0.31 1.60 0.00 1.28 0.00 0.00 41.25 44.28 1f43 s ASN 27 CO 0.32 -1.80 1.71 0.28 -2.04 0.00 0.00 177.10 175.57 1f43 h SER 28 N -0.36 0.03 0.02 3.54 0.02 -1.97 1.83 113.55 116.67 1f43 h SER 28 Ca -0.32 0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 60.60 1f43 h SER 28 Cb 1.27 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.82 1f43 h SER 28 CO 0.38 -0.01 -0.15 0.11 -1.14 0.00 0.00 176.83 176.02 1f43 h LYS 29 N 0.02 0.07 -0.23 3.45 1.79 -1.98 -2.80 116.57 116.90 1f43 h LYS 29 Ca 0.72 -0.10 -0.18 0.00 -2.18 0.00 0.00 60.65 58.91 1f43 h LYS 29 Cb 2.81 0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 33.49 1f43 h LYS 29 CO -0.04 0.97 -0.56 0.93 -1.08 0.00 0.00 179.45 179.66 1f43 h GLU 30 N -0.78 0.70 -0.52 3.15 5.08 -0.99 0.95 114.58 122.17 1f43 h GLU 30 Ca -0.02 -0.45 0.01 0.00 -1.00 0.00 0.00 59.36 57.90 1f43 h GLU 30 Cb 1.03 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.31 1f43 h GLU 30 CO 0.03 1.07 0.34 1.57 -1.00 0.00 0.00 179.01 181.03 1f43 h LYS 31 N 0.53 0.65 0.09 2.33 2.10 0.25 2.17 116.57 124.70 1f43 h LYS 31 Ca 0.01 -0.04 -0.34 0.00 -2.00 0.00 0.00 60.65 58.27 1f43 h LYS 31 Cb 1.14 -0.15 -0.03 0.00 -0.90 0.00 0.00 32.23 32.30 1f43 h LYS 31 CO 0.11 0.43 -1.91 -0.85 -2.00 0.00 0.00 179.45 175.23 1f43 n GLU 32 N -4.46 0.73 0.05 0.07 0.28 -1.06 -2.33 120.64 113.91 1f43 n GLU 32 Ca 0.05 0.27 -0.10 0.00 -0.16 0.00 0.00 57.16 57.22 1f43 n GLU 32 Cb 0.08 -1.73 0.02 0.00 1.43 0.00 0.00 31.44 31.23 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 0.05 0.42 0.18 3.44 4.39 0.13 -2.81 114.58 120.39 1f43 h GLU 33 Ca -0.38 -0.35 -0.30 0.00 0.34 0.00 0.00 59.36 58.66 1f43 h GLU 33 Cb 2.03 0.07 0.03 0.00 -0.10 0.00 0.00 28.75 30.79 1f43 h GLU 33 CO 0.09 0.99 -1.28 0.28 -1.16 0.00 0.00 179.01 177.92 1f43 h VAL 34 N 0.29 1.31 -0.12 3.13 2.07 0.34 -2.99 116.25 120.28 1f43 h VAL 34 Ca -0.03 -2.56 -0.01 0.00 0.82 0.00 0.00 66.70 64.91 1f43 h VAL 34 Cb 1.32 2.92 -0.01 0.00 -1.52 0.00 0.00 31.29 34.00 1f43 h VAL 34 CO 0.13 0.77 0.02 0.00 0.02 0.00 0.00 177.57 178.51 1f43 h ALA 35 N 0.20 1.82 0.00 1.67 0.00 -1.50 0.78 119.26 122.23 1f43 h ALA 35 Ca -0.21 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1f43 h ALA 35 Cb 1.98 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.72 1f43 h ALA 35 CO 0.24 0.14 -0.74 1.57 0.00 0.00 0.00 179.25 180.46 1f43 h LYS 36 N 0.16 0.00 0.00 0.00 2.10 -1.56 0.71 116.57 117.99 1f43 h LYS 36 Ca 0.04 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.60 1f43 h LYS 36 Cb 0.08 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.39 1f43 h LYS 36 CO -0.00 0.00 -1.82 0.36 -2.00 0.00 0.00 179.45 175.99 1f43 n LYS 37 N -2.71 0.86 -0.08 0.07 2.85 -0.90 -4.56 118.16 113.69 1f43 n LYS 37 Ca 0.01 -0.10 -0.07 0.00 -1.05 0.00 0.00 58.31 57.11 1f43 n LYS 37 Cb 0.53 -1.38 -0.16 0.00 -0.65 0.00 0.00 35.03 33.38 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 1.66 1.79 0.00 0.00 0.00 -0.93 -4.74 105.19 102.97 1f43 n GLY 39 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.44 0.00 -3.92 -0.61 5.41 0.24 -4.98 119.36 115.06 1f43 n ILE 40 Ca 0.00 0.00 -0.09 0.00 1.00 0.00 0.00 62.75 63.66 1f43 n ILE 40 Cb 0.00 -0.67 -0.09 0.00 -0.71 0.00 0.00 39.64 38.17 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 0.67 0.14 0.59 1.39 2.01 -1.26 -4.11 115.64 115.07 1f43 s THR 41 Ca 0.00 -1.11 0.29 0.00 0.31 0.00 0.00 61.69 61.18 1f43 s THR 41 Cb 0.00 -0.97 0.40 0.00 0.01 0.00 0.00 72.50 71.94 1f43 s THR 41 CO 0.00 -0.61 1.76 -0.65 -0.69 0.00 0.00 174.62 174.43 1f43 h PRO 42 N 3.53 0.00 0.00 4.92 0.11 -1.92 0.71 132.00 139.35 1f43 h PRO 42 Ca -0.33 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.58 1f43 h PRO 42 Cb 1.18 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 1f43 h PRO 42 CO 0.51 0.00 -1.42 1.25 -0.21 0.00 0.00 178.00 178.14 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 0.30 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 59.01 1f43 h LEU 43 Cb 1.63 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.66 1f43 h LEU 43 CO -0.00 0.71 -0.11 1.56 -0.34 0.00 0.00 178.44 180.26 1f43 h GLN 44 N 0.00 0.00 -1.27 1.25 1.08 -0.20 -3.16 115.11 112.81 1f43 h GLN 44 Ca -0.18 0.00 0.42 0.00 -1.45 0.00 0.00 58.65 57.44 1f43 h GLN 44 Cb 1.70 0.00 -0.11 0.00 -0.05 0.00 0.00 27.48 29.02 1f43 h GLN 44 CO 0.06 0.10 0.85 1.33 -0.95 0.00 0.00 178.83 180.22 1f43 n VAL 45 N -4.73 -0.17 -0.01 -0.54 0.24 0.12 0.28 118.33 113.53 1f43 n VAL 45 Ca -0.03 1.46 -0.01 0.00 -2.04 0.00 0.00 64.34 63.73 1f43 n VAL 45 Cb 0.10 -2.40 -0.00 0.00 -1.47 0.00 0.00 33.84 30.06 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 -0.06 -0.11 7.34 0.11 -1.71 -2.90 114.38 117.06 1f43 h ARG 46 Ca 0.75 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 60.79 1f43 h ARG 46 Cb 2.57 0.01 -0.00 0.00 1.11 0.00 0.00 29.97 33.66 1f43 h ARG 46 CO -0.31 -0.04 -0.14 -0.39 0.10 0.00 0.00 179.97 179.19 1f43 h VAL 47 N -0.74 1.37 -0.30 0.08 -1.51 -0.91 -2.16 116.25 112.07 1f43 h VAL 47 Ca -0.01 -1.33 0.04 0.00 -1.23 0.00 0.00 66.70 64.17 1f43 h VAL 47 Cb 0.05 1.99 -0.04 0.00 -2.13 0.00 0.00 31.29 31.16 1f43 h VAL 47 CO 0.01 0.38 0.07 -0.25 -1.23 0.00 0.00 177.57 176.55 1f43 h TRP 48 N -0.12 0.11 -0.12 5.19 7.01 0.39 -1.52 115.95 126.89 1f43 h TRP 48 Ca 0.01 0.02 -0.06 0.00 2.11 0.00 0.00 58.89 60.97 1f43 h TRP 48 Cb 0.68 -0.01 -0.01 0.00 -2.10 0.00 0.00 29.16 27.72 1f43 h TRP 48 CO 0.09 0.03 -0.22 0.74 -2.79 0.00 0.00 178.44 176.30 1f43 h PHE 49 N 0.18 0.22 -0.40 2.65 0.04 -1.46 -1.24 116.94 116.93 1f43 h PHE 49 Ca 0.14 -0.03 0.08 0.00 2.80 0.00 0.00 57.97 60.96 1f43 h PHE 49 Cb 0.15 -0.06 -0.09 0.00 2.20 0.00 0.00 35.95 38.15 1f43 h PHE 49 CO -0.17 0.42 -0.22 0.82 -0.60 0.00 0.00 178.31 178.56 1f43 h ILE 50 N 0.19 0.37 0.06 -0.55 1.08 -0.58 1.98 117.51 120.06 1f43 h ILE 50 Ca 0.03 0.00 -0.24 0.00 -0.39 0.00 0.00 64.86 64.27 1f43 h ILE 50 Cb 0.50 0.37 -0.01 0.00 -3.07 0.00 0.00 36.82 34.62 1f43 h ILE 50 CO 0.03 0.00 -1.06 0.78 -0.69 0.00 0.00 178.15 177.21 1f43 h ASN 51 N -0.16 0.32 -0.54 1.72 2.35 -1.43 0.49 115.58 118.33 1f43 h ASN 51 Ca 0.19 -0.31 -0.12 0.00 -0.55 0.00 0.00 56.30 55.51 1f43 h ASN 51 Cb 0.46 -0.10 -0.07 0.00 0.05 0.00 0.00 38.32 38.65 1f43 h ASN 51 CO -0.49 1.19 0.15 0.29 -1.65 0.00 0.00 177.43 176.91 1f43 n LYS 52 N -3.57 3.47 -0.51 0.81 4.76 -0.48 -4.23 118.16 118.41 1f43 n LYS 52 Ca -0.06 -2.43 -0.00 0.00 -2.87 0.00 0.00 58.31 52.95 1f43 n LYS 52 Cb 0.93 -2.05 -0.00 0.00 -1.84 0.00 0.00 35.03 32.06 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 0.12 0.00 -1.44 1.97 0.63 0.66 -4.86 116.66 113.75 1f43 n ARG 53 Ca 0.29 -0.05 -0.12 0.00 -0.92 0.00 0.00 57.85 57.04 1f43 n ARG 53 Cb 1.12 0.48 -0.10 0.00 0.45 0.00 0.00 32.46 34.41 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 0.00 0.19 -0.03 -0.14 1.56 0.17 -4.68 117.12 114.19 1f43 n MET 54 Ca -0.01 -0.81 -0.13 0.00 -0.27 0.00 0.00 57.70 56.47 1f43 n MET 54 Cb 0.27 -2.75 -0.10 0.00 2.15 0.00 0.00 33.22 32.79 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 11.29 0.05 -4.87 2.12 2.47 -1.89 -3.47 114.38 120.08 1f43 h ARG 55 Ca 0.01 -0.03 -0.40 0.00 -1.26 0.00 0.00 59.98 58.29 1f43 h ARG 55 Cb 1.02 0.00 -0.14 0.00 -1.65 0.00 0.00 29.97 29.21 1f43 h ARG 55 CO 1.11 0.61 -0.56 -1.12 0.56 0.00 0.00 179.97 180.56 1f43 s SER 56 N -5.85 1.43 0.00 7.04 0.01 -1.26 -5.28 113.70 109.80 1f43 s SER 56 Ca -0.16 -1.54 0.00 0.00 1.31 0.00 0.00 55.95 55.56 1f43 s SER 56 Cb 0.01 0.37 0.00 0.00 0.21 0.00 0.00 66.02 66.61 1f43 s SER 56 CO 0.69 -0.88 0.00 0.29 0.41 0.00 0.00 173.24 173.75