#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f55 n SER 2 N 0.00 0.01 0.00 -3.46 2.88 -1.26 -4.59 113.62 107.21 1f55 n SER 2 Ca 0.00 -0.90 0.00 0.00 -1.33 0.00 0.00 58.87 56.64 1f55 n SER 2 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1f55 n SER 2 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1f55 n ASN 3 N -2.69 0.00 0.00 -3.46 3.02 -1.26 -0.93 115.26 109.94 1f55 n ASN 3 Ca 0.00 0.00 0.06 0.00 -0.03 0.00 0.00 54.58 54.61 1f55 n ASN 3 Cb 0.00 0.00 0.31 0.00 -0.61 0.00 0.00 39.78 39.48 1f55 n ASN 3 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1f55 n LEU 4 N 0.00 0.00 0.00 3.41 4.32 -1.26 -4.90 117.00 118.57 1f55 n LEU 4 Ca 0.00 0.32 0.00 0.00 -0.02 0.00 0.00 56.01 56.31 1f55 n LEU 4 Cb 0.00 -0.32 0.00 0.00 -1.62 0.00 0.00 43.42 41.48 1f55 n LEU 4 CO 0.00 -0.18 0.00 1.07 -1.22 0.00 0.00 177.39 177.06 1f55 n THR 5 N -1.32 0.00 -0.59 -5.08 5.66 -0.10 0.13 114.28 112.98 1f55 n THR 5 Ca 0.06 0.00 0.44 0.00 -3.05 0.00 0.00 64.05 61.50 1f55 n THR 5 Cb 0.11 0.00 0.69 0.00 -1.55 0.00 0.00 70.33 69.57 1f55 n THR 5 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 1f55 n GLU 6 N 12.21 -0.00 -0.02 1.09 0.28 -1.26 0.26 120.64 133.19 1f55 n GLU 6 Ca 0.00 0.91 -0.15 0.00 -0.16 0.00 0.00 57.16 57.76 1f55 n GLU 6 Cb 0.00 -2.09 -0.10 0.00 1.43 0.00 0.00 31.44 30.68 1f55 n GLU 6 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 1f55 h GLU 7 N 0.00 0.32 -0.09 3.44 4.57 0.77 -1.56 114.58 122.03 1f55 h GLU 7 Ca 0.79 -0.29 -0.07 0.00 -1.18 0.00 0.00 59.36 58.61 1f55 h GLU 7 Cb 3.14 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 31.80 1f55 h GLU 7 CO -0.02 0.95 -0.21 -0.56 -1.18 0.00 0.00 179.01 177.99 1f55 h GLN 8 N -0.20 0.30 0.26 1.92 3.07 0.39 -2.77 115.11 118.08 1f55 h GLN 8 Ca -0.03 -0.20 -0.01 0.00 0.09 0.00 0.00 58.65 58.50 1f55 h GLN 8 Cb 1.04 0.03 -0.02 0.00 0.08 0.00 0.00 27.48 28.61 1f55 h GLN 8 CO 0.07 0.81 -0.31 0.82 0.09 0.00 0.00 178.83 180.31 1f55 h ILE 9 N -0.16 0.00 -0.87 1.86 2.04 -0.36 0.46 117.51 120.48 1f55 h ILE 9 Ca -0.00 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.05 1f55 h ILE 9 Cb 0.81 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.73 1f55 h ILE 9 CO 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 178.15 178.08 1f55 h ALA 10 N -1.18 0.74 -0.79 1.87 0.00 -1.38 0.92 119.26 119.44 1f55 h ALA 10 Ca -0.03 0.32 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 1f55 h ALA 10 Cb 0.52 0.59 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 1f55 h ALA 10 CO -0.07 -0.44 0.38 0.93 0.00 0.00 0.00 179.25 180.06 1f55 h GLU 11 N 0.03 1.14 -0.02 0.00 5.08 -1.10 -2.82 114.58 116.89 1f55 h GLU 11 Ca 0.45 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.65 1f55 h GLU 11 Cb 0.77 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.82 1f55 h GLU 11 CO -0.85 0.88 0.01 0.74 -1.00 0.00 0.00 179.01 178.79 1f55 h PHE 12 N 1.12 0.04 -0.76 4.33 0.04 0.54 -2.70 116.94 119.55 1f55 h PHE 12 Ca 0.27 -0.00 0.13 0.00 2.80 0.00 0.00 57.97 61.17 1f55 h PHE 12 Cb 0.11 -0.01 -0.14 0.00 2.20 0.00 0.00 35.95 38.12 1f55 h PHE 12 CO 0.01 0.23 -0.33 0.87 -0.60 0.00 0.00 178.31 178.49 1f55 h LYS 13 N -0.17 -0.08 -0.66 1.51 1.57 -0.01 1.03 116.57 119.77 1f55 h LYS 13 Ca 0.01 0.01 0.11 0.00 -1.87 0.00 0.00 60.65 58.91 1f55 h LYS 13 Cb 0.21 0.02 -0.08 0.00 0.08 0.00 0.00 32.23 32.46 1f55 h LYS 13 CO -0.00 -0.06 0.23 1.49 -0.57 0.00 0.00 179.45 180.55 1f55 h GLU 14 N -0.09 0.38 -0.11 3.15 4.57 -1.34 -1.17 114.58 119.97 1f55 h GLU 14 Ca 0.29 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.44 1f55 h GLU 14 Cb 0.57 -0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 29.07 1f55 h GLU 14 CO -0.80 0.25 0.02 0.00 -1.18 0.00 0.00 179.01 177.30 1f55 h ALA 15 N 1.47 0.15 -0.22 2.92 0.00 0.93 -2.80 119.26 121.72 1f55 h ALA 15 Ca 0.34 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.15 1f55 h ALA 15 Cb 0.48 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.16 1f55 h ALA 15 CO -0.36 -0.21 -0.49 0.35 0.00 0.00 0.00 179.25 178.54 1f55 h PHE 16 N -0.03 -1.47 -0.81 0.00 3.57 0.18 0.29 116.94 118.67 1f55 h PHE 16 Ca 0.03 0.06 0.17 0.00 3.53 0.00 0.00 57.97 61.77 1f55 h PHE 16 Cb 0.26 0.67 -0.15 0.00 2.79 0.00 0.00 35.95 39.52 1f55 h PHE 16 CO 0.01 -0.47 -0.13 0.00 -2.23 0.00 0.00 178.31 175.49 1f55 h ALA 17 N -0.34 0.65 -1.05 2.41 0.00 -1.25 1.11 119.26 120.80 1f55 h ALA 17 Ca 0.04 0.30 0.30 0.00 0.00 0.00 0.00 54.91 55.55 1f55 h ALA 17 Cb 0.57 0.57 -0.13 0.00 0.00 0.00 0.00 17.79 18.80 1f55 h ALA 17 CO -0.44 -0.42 0.63 -0.07 0.00 0.00 0.00 179.25 178.94 1f55 h LEU 18 N 0.03 0.52 -0.06 0.00 3.38 -0.67 0.16 115.31 118.66 1f55 h LEU 18 Ca 0.41 0.15 -0.04 0.00 0.09 0.00 0.00 57.88 58.49 1f55 h LEU 18 Cb 0.68 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.51 1f55 h LEU 18 CO -0.80 -0.02 -0.11 -0.26 0.09 0.00 0.00 178.44 177.34 1f55 h PHE 19 N 0.39 0.23 -3.85 1.13 0.04 0.17 -3.44 116.94 111.61 1f55 h PHE 19 Ca 0.69 -0.08 -0.50 0.00 2.80 0.00 0.00 57.97 60.88 1f55 h PHE 19 Cb 1.61 -0.04 0.02 0.00 2.20 0.00 0.00 35.95 39.73 1f55 h PHE 19 CO -0.01 0.69 0.45 0.34 -0.60 0.00 0.00 178.31 179.18 1f55 s ASP 20 N -6.00 7.14 0.00 2.17 2.15 0.57 -2.51 116.67 120.20 1f55 s ASP 20 Ca -0.15 2.20 0.16 0.00 0.43 0.00 0.00 52.55 55.19 1f55 s ASP 20 Cb 0.03 -2.62 0.45 0.00 -0.30 0.00 0.00 42.92 40.49 1f55 s ASP 20 CO 0.72 -0.23 1.37 0.29 -0.17 0.00 0.00 175.17 177.16 1f55 n LYS 21 N 0.86 2.74 0.00 4.34 4.76 -1.26 -4.39 118.16 125.21 1f55 n LYS 21 Ca 0.01 -2.31 0.00 0.00 -2.87 0.00 0.00 58.31 53.14 1f55 n LYS 21 Cb 0.46 -1.41 0.00 0.00 -1.84 0.00 0.00 35.03 32.24 1f55 n LYS 21 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1f55 n ASP 22 N 1.05 0.10 -1.47 4.39 8.00 -1.26 -5.00 116.55 122.35 1f55 n ASP 22 Ca 0.17 -0.31 -0.17 0.00 0.71 0.00 0.00 54.79 55.19 1f55 n ASP 22 Cb 0.52 0.65 -0.05 0.00 -0.02 0.00 0.00 41.12 42.21 1f55 n ASP 22 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1f55 n ASN 23 N -0.66 -5.01 -0.64 -2.24 3.02 -1.26 -4.83 115.26 103.64 1f55 n ASN 23 Ca 0.00 0.29 0.02 0.00 -0.03 0.00 0.00 54.58 54.86 1f55 n ASN 23 Cb 0.00 -4.03 0.08 0.00 -0.61 0.00 0.00 39.78 35.21 1f55 n ASN 23 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1f55 n ASN 24 N -0.86 1.61 0.00 6.41 5.03 -1.26 -4.80 115.26 121.40 1f55 n ASN 24 Ca -0.18 -2.13 0.00 0.00 0.87 0.00 0.00 54.58 53.14 1f55 n ASN 24 Cb 0.58 -0.42 0.00 0.00 -1.02 0.00 0.00 39.78 38.92 1f55 n ASN 24 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1f55 n GLY 25 N 0.29 0.24 3.08 7.41 0.00 -1.26 -4.95 105.19 110.00 1f55 n GLY 25 Ca 0.05 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.94 1f55 n GLY 25 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1f55 s SER 26 N -2.06 0.99 -0.08 1.61 0.15 -1.26 -2.92 113.70 110.13 1f55 s SER 26 Ca 0.00 -0.58 0.03 0.00 0.70 0.00 0.00 55.95 56.10 1f55 s SER 26 Cb 0.00 0.03 0.00 0.00 -1.71 0.00 0.00 66.02 64.34 1f55 s SER 26 CO 0.00 -0.20 -0.19 -0.63 1.20 0.00 0.00 173.24 173.42 1f55 s ILE 27 N -1.49 1.67 0.03 6.45 1.01 0.51 -4.71 121.20 124.67 1f55 s ILE 27 Ca -0.08 -0.80 0.00 0.00 0.00 0.00 0.00 60.65 59.78 1f55 s ILE 27 Cb -0.09 -1.46 0.00 0.00 0.01 0.00 0.00 42.46 40.92 1f55 s ILE 27 CO 0.00 0.47 0.03 -0.24 0.00 0.00 0.00 174.94 175.21 1f55 n SER 28 N 3.57 0.54 0.11 3.58 2.88 -1.26 -1.82 113.62 121.22 1f55 n SER 28 Ca -0.20 -1.08 -0.04 0.00 -1.33 0.00 0.00 58.87 56.21 1f55 n SER 28 Cb 0.52 -0.01 -0.02 0.00 -0.75 0.00 0.00 64.21 63.95 1f55 n SER 28 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1f55 h SER 29 N 0.02 -0.24 0.00 -3.46 4.64 -1.96 -2.11 113.55 110.44 1f55 h SER 29 Ca -0.01 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1f55 h SER 29 Cb 0.06 0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1f55 h SER 29 CO 0.02 -0.16 0.38 0.77 -0.87 0.00 0.00 176.83 176.97 1f55 h SER 30 N -0.30 0.00 0.00 4.97 4.64 -1.97 -1.20 113.55 119.70 1f55 h SER 30 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1f55 h SER 30 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 1f55 h SER 30 CO 0.05 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.39 1f55 n GLU 31 N -2.78 0.00 -0.39 4.77 1.02 -0.96 -2.06 120.64 120.24 1f55 n GLU 31 Ca -0.02 0.00 0.32 0.00 -0.02 0.00 0.00 57.16 57.44 1f55 n GLU 31 Cb 0.42 -0.47 0.62 0.00 -0.02 0.00 0.00 31.44 31.99 1f55 n GLU 31 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1f55 h LEU 32 N 0.00 0.27 -0.39 -4.62 3.38 -1.09 0.40 115.31 113.25 1f55 h LEU 32 Ca 0.00 0.08 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 1f55 h LEU 32 Cb 0.00 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1f55 h LEU 32 CO 0.00 -0.04 0.05 0.00 0.09 0.00 0.00 178.44 178.54 1f55 h ALA 33 N 1.54 0.53 -0.33 1.53 0.00 -1.35 -2.37 119.26 118.80 1f55 h ALA 33 Ca 0.70 -0.23 0.10 0.00 0.00 0.00 0.00 54.91 55.47 1f55 h ALA 33 Cb 2.18 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.80 1f55 h ALA 33 CO -0.28 0.26 0.62 1.15 0.00 0.00 0.00 179.25 181.00 1f55 h THR 34 N 0.51 0.13 0.37 0.00 2.02 0.40 0.18 112.91 116.53 1f55 h THR 34 Ca 0.12 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.29 1f55 h THR 34 Cb 0.40 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 1f55 h THR 34 CO 0.01 0.00 -0.31 0.58 0.37 0.00 0.00 175.52 176.17 1f55 h VAL 35 N 0.00 0.36 0.00 3.16 2.07 -1.42 -3.07 116.25 117.34 1f55 h VAL 35 Ca 0.16 0.00 -0.28 0.00 0.82 0.00 0.00 66.70 67.40 1f55 h VAL 35 Cb 1.40 0.36 -0.04 0.00 -1.52 0.00 0.00 31.29 31.49 1f55 h VAL 35 CO -0.00 0.00 -1.91 0.23 0.02 0.00 0.00 177.57 175.91 1f55 n MET 36 N -5.43 0.38 -0.38 1.57 2.81 -0.43 -4.52 117.12 111.11 1f55 n MET 36 Ca -0.10 0.16 0.31 0.00 -1.81 0.00 0.00 57.70 56.26 1f55 n MET 36 Cb 0.33 -1.13 0.60 0.00 -0.71 0.00 0.00 33.22 32.31 1f55 n MET 36 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 1f55 h ARG 37 N -0.64 0.20 0.00 0.03 2.43 -0.79 1.12 114.38 116.73 1f55 h ARG 37 Ca -0.43 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.73 1f55 h ARG 37 Cb 1.35 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.85 1f55 h ARG 37 CO -0.26 0.13 0.00 0.45 -1.51 0.00 0.00 179.97 178.79 1f55 n SER 38 N -4.58 0.00 -0.01 -3.80 2.88 -1.16 -4.27 113.62 102.68 1f55 n SER 38 Ca 0.31 0.24 0.03 0.00 -1.33 0.00 0.00 58.87 58.12 1f55 n SER 38 Cb 1.18 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 64.58 1f55 n SER 38 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1f55 n LEU 39 N -0.36 0.00 0.00 2.46 7.94 -1.13 -4.86 117.00 121.05 1f55 n LEU 39 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1f55 n LEU 39 Cb 0.00 0.04 0.00 0.00 0.53 0.00 0.00 43.42 43.99 1f55 n LEU 39 CO 0.00 0.04 0.00 0.61 -1.11 0.00 0.00 177.39 176.93 1f55 n GLY 40 N 2.11 0.38 0.00 -3.96 0.00 0.11 -4.98 105.19 98.85 1f55 n GLY 40 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1f55 n GLY 40 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1f55 n LEU 41 N -0.01 0.00 -2.67 0.99 7.94 0.34 -4.86 117.00 118.73 1f55 n LEU 41 Ca 0.00 0.00 -0.04 0.00 -1.11 0.00 0.00 56.01 54.86 1f55 n LEU 41 Cb 0.00 0.00 0.07 0.00 0.53 0.00 0.00 43.42 44.02 1f55 n LEU 41 CO 0.00 0.00 0.66 -0.24 -1.11 0.00 0.00 177.39 176.70 1f55 n SER 42 N 0.00 -1.31 -3.27 1.96 2.88 -1.26 -3.74 113.62 108.88 1f55 n SER 42 Ca 0.00 -1.96 0.00 0.00 -1.33 0.00 0.00 58.87 55.58 1f55 n SER 42 Cb 0.00 1.15 0.00 0.00 -0.75 0.00 0.00 64.21 64.61 1f55 n SER 42 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1f55 n PRO 43 N 0.06 1.05 -4.23 -1.46 -0.04 -1.26 -5.02 135.00 124.11 1f55 n PRO 43 Ca -0.12 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.21 1f55 n PRO 43 Cb 0.72 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 34.08 1f55 n PRO 43 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1f55 s SER 44 N -1.27 1.31 0.31 3.54 0.01 -1.26 -4.94 113.70 111.40 1f55 s SER 44 Ca 0.00 -1.10 0.19 0.00 1.31 0.00 0.00 55.95 56.35 1f55 s SER 44 Cb 0.00 0.09 1.10 0.00 0.21 0.00 0.00 66.02 67.41 1f55 s SER 44 CO 0.00 -0.50 1.25 1.21 0.41 0.00 0.00 173.24 175.61 1f55 n GLU 45 N -0.18 -0.04 0.10 12.44 4.07 -1.26 -0.08 120.64 135.69 1f55 n GLU 45 Ca -0.09 1.07 -0.05 0.00 -0.06 0.00 0.00 57.16 58.03 1f55 n GLU 45 Cb 0.62 -1.96 -0.03 0.00 -0.06 0.00 0.00 31.44 30.01 1f55 n GLU 45 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1f55 h ALA 46 N 1.51 -0.95 -0.79 4.31 0.00 -1.99 0.30 119.26 121.66 1f55 h ALA 46 Ca 0.68 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.53 1f55 h ALA 46 Cb 1.89 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 19.93 1f55 h ALA 46 CO -0.55 -0.94 0.52 0.93 0.00 0.00 0.00 179.25 179.20 1f55 h GLU 47 N -0.31 1.04 0.12 0.00 4.39 -1.22 -2.47 114.58 116.13 1f55 h GLU 47 Ca -0.02 -0.07 0.01 0.00 0.34 0.00 0.00 59.36 59.62 1f55 h GLU 47 Cb 0.25 -0.23 -0.04 0.00 -0.10 0.00 0.00 28.75 28.63 1f55 h GLU 47 CO 0.01 0.69 -0.43 0.28 -1.16 0.00 0.00 179.01 178.40 1f55 h VAL 48 N 1.07 0.00 -1.01 3.13 2.07 -0.33 -0.61 116.25 120.57 1f55 h VAL 48 Ca 0.29 0.00 0.25 0.00 0.82 0.00 0.00 66.70 68.05 1f55 h VAL 48 Cb -0.12 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 29.53 1f55 h VAL 48 CO -0.06 0.00 0.60 -0.55 0.02 0.00 0.00 177.57 177.58 1f55 h ASN 49 N -0.64 0.66 -0.42 0.57 -1.07 -0.23 0.12 115.58 114.58 1f55 h ASN 49 Ca -0.01 0.13 0.07 0.00 0.07 0.00 0.00 56.30 56.56 1f55 h ASN 49 Cb 0.63 0.03 -0.06 0.00 -2.07 0.00 0.00 38.32 36.85 1f55 h ASN 49 CO -0.22 0.11 0.05 -0.78 0.07 0.00 0.00 177.43 176.65 1f55 h ASP 50 N 0.57 -0.08 0.22 6.14 1.82 -0.65 0.23 116.42 124.67 1f55 h ASP 50 Ca 0.64 0.08 0.01 0.00 -0.39 0.00 0.00 57.03 57.37 1f55 h ASP 50 Cb 1.24 0.13 -0.02 0.00 0.68 0.00 0.00 39.33 41.36 1f55 h ASP 50 CO -0.46 -0.00 -0.25 -0.07 -1.61 0.00 0.00 179.24 176.84 1f55 h LEU 51 N 0.16 -0.69 -1.34 2.28 3.38 -0.19 -1.53 115.31 117.39 1f55 h LEU 51 Ca 0.21 0.07 0.08 0.00 0.09 0.00 0.00 57.88 58.33 1f55 h LEU 51 Cb 0.28 0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.22 1f55 h LEU 51 CO -0.31 -0.36 0.51 -0.03 0.09 0.00 0.00 178.44 178.34 1f55 h MET 52 N -0.52 0.75 0.01 1.13 4.05 -1.11 -2.21 114.93 117.02 1f55 h MET 52 Ca 0.00 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.38 1f55 h MET 52 Cb 0.50 -0.17 -0.01 0.00 -0.80 0.00 0.00 31.60 31.12 1f55 h MET 52 CO -0.08 0.50 -0.02 -0.91 0.23 0.00 0.00 176.91 176.62 1f55 h ASN 53 N 0.77 -0.07 -1.65 1.39 -0.26 0.37 1.40 115.58 117.53 1f55 h ASN 53 Ca 0.35 0.01 0.48 0.00 -0.56 0.00 0.00 56.30 56.58 1f55 h ASN 53 Cb 0.35 0.03 -0.07 0.00 -1.06 0.00 0.00 38.32 37.58 1f55 h ASN 53 CO -0.13 -0.04 1.23 -0.33 -1.06 0.00 0.00 177.43 177.10 1f55 h GLU 54 N -0.05 0.00 0.00 0.81 5.08 -0.66 0.57 114.58 120.34 1f55 h GLU 54 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1f55 h GLU 54 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1f55 h GLU 54 CO -0.02 0.00 -0.75 -0.89 -1.00 0.00 0.00 179.01 176.34 1f55 n ILE 55 N -3.95 0.00 -1.77 3.13 5.41 -0.61 -4.83 119.36 116.74 1f55 n ILE 55 Ca 0.37 -0.26 -0.19 0.00 1.00 0.00 0.00 62.75 63.66 1f55 n ILE 55 Cb 1.73 0.73 -0.09 0.00 -0.71 0.00 0.00 39.64 41.30 1f55 n ILE 55 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1f55 s ASP 56 N -2.19 4.06 0.45 4.38 2.15 0.47 -4.67 116.67 121.32 1f55 s ASP 56 Ca 0.01 -1.06 0.12 0.00 0.43 0.00 0.00 52.55 52.05 1f55 s ASP 56 Cb 0.05 -2.59 1.03 0.00 -0.30 0.00 0.00 42.92 41.12 1f55 s ASP 56 CO 0.32 -4.05 2.08 -0.37 -0.17 0.00 0.00 175.17 172.98 1f55 h VAL 57 N 6.69 1.03 0.04 1.11 -1.51 -1.87 -2.73 116.25 119.01 1f55 h VAL 57 Ca 0.08 -0.12 -0.33 0.00 -1.23 0.00 0.00 66.70 65.10 1f55 h VAL 57 Cb 0.98 0.66 -0.04 0.00 -2.13 0.00 0.00 31.29 30.76 1f55 h VAL 57 CO 1.09 0.06 -1.90 -0.90 -1.23 0.00 0.00 177.57 174.69 1f55 n ASP 58 N -4.49 1.29 -0.50 4.19 5.75 -1.26 -5.02 116.55 116.51 1f55 n ASP 58 Ca 0.02 0.28 0.00 0.00 -0.01 0.00 0.00 54.79 55.09 1f55 n ASP 58 Cb 0.13 -0.27 0.00 0.00 -1.03 0.00 0.00 41.12 39.95 1f55 n ASP 58 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1f55 n GLY 59 N 1.76 0.57 1.02 6.12 0.00 -1.03 -5.02 105.19 108.61 1f55 n GLY 59 Ca -0.25 -0.30 -0.03 0.00 0.00 0.00 0.00 46.02 45.45 1f55 n GLY 59 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1f55 n ASN 60 N -0.50 2.64 -0.63 1.61 6.94 -1.26 -4.92 115.26 119.14 1f55 n ASN 60 Ca 0.00 -3.86 -0.08 0.00 -0.02 0.00 0.00 54.58 50.62 1f55 n ASN 60 Cb 0.23 -0.49 -0.03 0.00 -2.36 0.00 0.00 39.78 37.13 1f55 n ASN 60 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1f55 n HIS 61 N -1.01 -0.03 -3.63 -2.53 8.25 -1.26 -4.89 115.22 110.12 1f55 n HIS 61 Ca 0.27 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.60 1f55 n HIS 61 Cb 0.78 -2.46 -0.06 0.00 1.12 0.00 0.00 29.99 29.37 1f55 n HIS 61 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1f55 s GLN 62 N -2.57 0.98 0.07 -0.41 -0.21 -1.26 -3.82 119.66 112.44 1f55 s GLN 62 Ca 0.00 -0.34 0.04 0.00 0.02 0.00 0.00 55.36 55.08 1f55 s GLN 62 Cb 0.00 0.44 -0.03 0.00 1.00 0.00 0.00 33.01 34.42 1f55 s GLN 62 CO 0.00 -0.35 -0.10 0.96 -2.12 0.00 0.00 175.29 173.68 1f55 s ILE 63 N -2.55 0.87 0.33 1.08 -5.25 -0.75 -4.69 121.20 110.23 1f55 s ILE 63 Ca -0.05 -1.40 0.07 0.00 -0.99 0.00 0.00 60.65 58.28 1f55 s ILE 63 Cb -0.01 -1.08 -0.01 0.00 2.95 0.00 0.00 42.46 44.32 1f55 s ILE 63 CO -0.03 -0.43 0.46 -1.61 -1.79 0.00 0.00 174.94 171.54 1f55 s GLU 64 N -2.20 3.10 0.00 0.37 2.02 -1.26 -0.36 118.70 120.37 1f55 s GLU 64 Ca -0.01 -1.03 0.00 0.00 0.02 0.00 0.00 54.97 53.95 1f55 s GLU 64 Cb -0.07 -2.80 0.00 0.00 0.10 0.00 0.00 34.13 31.36 1f55 s GLU 64 CO 0.01 0.07 0.94 0.34 0.02 0.00 0.00 175.26 176.63 1f55 n PHE 65 N -1.62 0.00 -0.25 1.61 7.35 -1.15 -0.77 117.46 122.63 1f55 n PHE 65 Ca -0.00 0.00 0.16 0.00 -0.76 0.00 0.00 57.45 56.85 1f55 n PHE 65 Cb 0.58 -0.44 0.30 0.00 0.35 0.00 0.00 39.48 40.27 1f55 n PHE 65 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1f55 n SER 66 N -2.53 0.05 -0.12 -2.13 2.88 -1.26 0.25 113.62 110.75 1f55 n SER 66 Ca 0.00 1.24 -0.09 0.00 -1.33 0.00 0.00 58.87 58.69 1f55 n SER 66 Cb 0.00 -0.51 -0.01 0.00 -0.75 0.00 0.00 64.21 62.94 1f55 n SER 66 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1f55 h GLU 67 N 0.00 0.54 -0.66 -1.46 5.08 -1.27 -1.14 114.58 115.66 1f55 h GLU 67 Ca 0.52 -0.08 0.13 0.00 -1.00 0.00 0.00 59.36 58.93 1f55 h GLU 67 Cb 1.21 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 30.32 1f55 h GLU 67 CO -0.65 0.48 0.45 0.35 -1.00 0.00 0.00 179.01 178.64 1f55 h PHE 68 N 0.46 0.39 0.06 4.33 3.57 0.46 -1.62 116.94 124.58 1f55 h PHE 68 Ca 0.13 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.64 1f55 h PHE 68 Cb 0.13 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 38.74 1f55 h PHE 68 CO -0.01 0.16 -0.03 -0.07 -2.23 0.00 0.00 178.31 176.13 1f55 h LEU 69 N 0.35 -0.07 -0.98 0.59 -0.00 -0.33 0.19 115.31 115.07 1f55 h LEU 69 Ca 0.32 -0.47 0.32 0.00 -0.00 0.00 0.00 57.88 58.05 1f55 h LEU 69 Cb 0.76 0.02 -0.15 0.00 -0.00 0.00 0.00 40.66 41.28 1f55 h LEU 69 CO -0.08 0.45 0.47 0.00 -0.00 0.00 0.00 178.44 179.28 1f55 h ALA 70 N 0.27 1.81 0.01 1.53 0.00 -0.27 0.56 119.26 123.17 1f55 h ALA 70 Ca -0.01 0.22 -0.25 0.00 0.00 0.00 0.00 54.91 54.87 1f55 h ALA 70 Cb 0.53 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 1f55 h ALA 70 CO 0.01 -0.62 -1.37 1.25 0.00 0.00 0.00 179.25 178.53 1f55 h LEU 71 N 0.23 0.02 0.00 0.00 5.85 -1.40 -2.88 115.31 117.13 1f55 h LEU 71 Ca 0.71 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 59.40 1f55 h LEU 71 Cb 1.63 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.66 1f55 h LEU 71 CO -0.66 1.03 0.00 0.23 -0.34 0.00 0.00 178.44 178.69 1f55 n MET 72 N -3.21 0.00 -0.33 1.25 2.81 0.19 -3.79 117.12 114.05 1f55 n MET 72 Ca -0.09 0.02 0.05 0.00 -1.81 0.00 0.00 57.70 55.87 1f55 n MET 72 Cb 1.00 -0.91 0.23 0.00 -0.71 0.00 0.00 33.22 32.83 1f55 n MET 72 CO 0.00 0.00 0.00 0.77 1.51 0.00 0.00 175.97 178.25 1f55 h SER 73 N 0.00 0.93 -4.90 7.83 0.02 -1.54 -3.48 113.55 112.42 1f55 h SER 73 Ca 0.00 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1f55 h SER 73 Cb 0.00 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.31 1f55 h SER 73 CO 0.00 0.57 -0.91 -1.14 -1.14 0.00 0.00 176.83 174.21 1f55 n ARG 74 N -4.52 -3.72 0.00 3.45 0.00 -1.09 -4.99 116.66 105.79 1f55 n ARG 74 Ca 0.15 2.78 0.00 0.00 -0.00 0.00 0.00 57.85 60.78 1f55 n ARG 74 Cb 0.24 -3.69 0.00 0.00 0.00 0.00 0.00 32.46 29.00 1f55 n ARG 74 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 1f55 n GLN 75 N 1.93 2.09 -3.62 -0.14 7.27 -1.26 -5.04 117.38 118.60 1f55 n GLN 75 Ca -0.14 0.00 -0.29 0.00 0.07 0.00 0.00 57.00 56.64 1f55 n GLN 75 Cb 0.22 0.00 -0.15 0.00 2.41 0.00 0.00 30.24 32.71 1f55 n GLN 75 CO 0.00 0.00 0.00 -1.17 0.07 0.00 0.00 177.06 175.96 1f55 s LEU 76 N 0.00 1.11 0.00 1.69 2.96 -1.26 -5.20 118.68 117.98 1f55 s LEU 76 Ca 0.00 -1.31 0.09 0.00 -0.22 0.00 0.00 54.13 52.70 1f55 s LEU 76 Cb 0.00 -0.52 0.07 0.00 0.50 0.00 0.00 46.19 46.24 1f55 s LEU 76 CO 0.00 -0.41 0.79 1.17 -1.32 0.00 0.00 176.35 176.58