#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 -6.12 -4.77 6.43 7.64 -1.26 -4.87 113.62 110.68 1f55 n SER 2 Ca 0.00 -0.57 -0.41 0.00 1.01 0.00 0.00 58.87 58.90 1f55 n SER 2 Cb 0.00 -3.22 -0.03 0.00 -1.01 0.00 0.00 64.21 59.95 1f55 n SER 2 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1f55 s ASN 3 N -2.97 6.94 0.00 6.43 2.47 -1.26 -5.03 114.94 121.52 1f55 s ASN 3 Ca 0.01 2.54 0.00 0.00 0.42 0.00 0.00 52.86 55.83 1f55 s ASN 3 Cb -0.00 -2.64 0.00 0.00 -1.45 0.00 0.00 41.25 37.16 1f55 s ASN 3 CO 0.83 -0.40 0.00 0.18 -3.72 0.00 0.00 177.10 173.99 1f55 n LEU 4 N 0.95 0.00 0.00 3.21 4.32 -1.26 -4.04 117.00 120.18 1f55 n LEU 4 Ca -0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1f55 n LEU 4 Cb 0.43 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.23 1f55 n LEU 4 CO 0.57 0.00 0.00 0.35 -1.22 0.00 0.00 177.39 177.09 1f55 n THR 5 N 0.00 0.00 -0.53 -5.08 -2.24 -1.26 -0.11 114.28 105.06 1f55 n THR 5 Ca 0.00 0.00 0.45 0.00 -2.27 0.00 0.00 64.05 62.23 1f55 n THR 5 Cb 0.00 0.00 0.73 0.00 -2.10 0.00 0.00 70.33 68.96 1f55 n THR 5 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1f55 h GLU 6 N 0.00 0.00 -0.07 -0.78 4.11 -1.97 1.12 114.58 116.98 1f55 h GLU 6 Ca 0.00 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.37 1f55 h GLU 6 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1f55 h GLU 6 CO 0.00 0.00 -0.18 1.49 0.07 0.00 0.00 179.01 180.39 1f55 h GLU 7 N 0.00 0.25 -0.10 1.06 4.57 -0.77 -1.54 114.58 118.05 1f55 h GLU 7 Ca 0.77 -0.17 -0.08 0.00 -1.18 0.00 0.00 59.36 58.70 1f55 h GLU 7 Cb 3.33 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 31.95 1f55 h GLU 7 CO -0.01 0.78 -0.26 -0.56 -1.18 0.00 0.00 179.01 177.78 1f55 h GLN 8 N -0.25 0.35 0.18 1.92 3.07 0.15 -2.75 115.11 117.78 1f55 h GLN 8 Ca -0.00 -0.25 -0.00 0.00 0.09 0.00 0.00 58.65 58.49 1f55 h GLN 8 Cb 0.78 0.04 -0.02 0.00 0.08 0.00 0.00 27.48 28.36 1f55 h GLN 8 CO 0.04 0.86 -0.31 0.82 0.09 0.00 0.00 178.83 180.33 1f55 h ILE 9 N -0.09 0.00 -0.79 1.86 2.04 -0.49 0.44 117.51 120.48 1f55 h ILE 9 Ca -0.00 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.02 1f55 h ILE 9 Cb 0.87 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.80 1f55 h ILE 9 CO 0.06 0.00 -0.19 0.00 0.00 0.00 0.00 178.15 178.02 1f55 h ALA 10 N -1.09 0.54 -0.99 1.87 0.00 -1.37 0.96 119.26 119.18 1f55 h ALA 10 Ca -0.02 0.31 0.03 0.00 0.00 0.00 0.00 54.91 55.23 1f55 h ALA 10 Cb 0.49 0.59 -0.06 0.00 0.00 0.00 0.00 17.79 18.81 1f55 h ALA 10 CO -0.11 -0.41 0.65 1.49 0.00 0.00 0.00 179.25 180.88 1f55 h GLU 11 N 0.00 1.24 -0.27 0.00 4.22 -1.07 -2.24 114.58 116.47 1f55 h GLU 11 Ca 0.38 -0.07 -0.06 0.00 0.08 0.00 0.00 59.36 59.69 1f55 h GLU 11 Cb 0.59 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1f55 h GLU 11 CO -0.81 0.82 -0.06 0.74 -2.18 0.00 0.00 179.01 177.52 1f55 h PHE 12 N 1.27 0.57 -0.66 0.92 0.04 0.53 -2.68 116.94 116.95 1f55 h PHE 12 Ca 0.39 -0.12 0.10 0.00 2.80 0.00 0.00 57.97 61.14 1f55 h PHE 12 Cb -0.03 -0.14 -0.12 0.00 2.20 0.00 0.00 35.95 37.87 1f55 h PHE 12 CO -0.00 0.72 -0.41 0.87 -0.60 0.00 0.00 178.31 178.89 1f55 h LYS 13 N 0.26 -0.16 -0.68 1.51 1.79 0.51 1.20 116.57 120.99 1f55 h LYS 13 Ca 0.07 0.01 0.06 0.00 -2.18 0.00 0.00 60.65 58.61 1f55 h LYS 13 Cb 0.53 0.04 -0.06 0.00 -1.58 0.00 0.00 32.23 31.16 1f55 h LYS 13 CO 0.03 -0.11 0.39 1.49 -1.08 0.00 0.00 179.45 180.16 1f55 h GLU 14 N -0.17 0.69 0.10 3.15 4.57 -1.45 -2.40 114.58 119.07 1f55 h GLU 14 Ca 0.22 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.35 1f55 h GLU 14 Cb 0.56 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 28.99 1f55 h GLU 14 CO -0.74 0.46 -0.05 0.00 -1.18 0.00 0.00 179.01 177.50 1f55 h ALA 15 N 1.35 -0.13 -0.32 2.92 0.00 0.22 -2.77 119.26 120.53 1f55 h ALA 15 Ca 0.31 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.15 1f55 h ALA 15 Cb 0.18 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 1f55 h ALA 15 CO -0.18 -0.50 -0.29 0.35 0.00 0.00 0.00 179.25 178.63 1f55 h PHE 16 N -0.28 -0.91 -0.87 0.00 3.57 0.17 0.24 116.94 118.85 1f55 h PHE 16 Ca -0.01 0.05 0.22 0.00 3.53 0.00 0.00 57.97 61.75 1f55 h PHE 16 Cb 0.23 0.44 -0.16 0.00 2.79 0.00 0.00 35.95 39.26 1f55 h PHE 16 CO -0.02 -0.23 0.01 0.00 -2.23 0.00 0.00 178.31 175.84 1f55 h ALA 17 N -0.50 0.96 -1.01 2.41 0.00 -1.47 1.18 119.26 120.83 1f55 h ALA 17 Ca 0.05 0.29 0.24 0.00 0.00 0.00 0.00 54.91 55.49 1f55 h ALA 17 Cb 0.27 0.51 -0.11 0.00 0.00 0.00 0.00 17.79 18.46 1f55 h ALA 17 CO -0.37 -0.48 0.63 1.25 0.00 0.00 0.00 179.25 180.28 1f55 h LEU 18 N 0.07 0.59 0.17 0.00 6.46 -0.25 -1.40 115.31 120.96 1f55 h LEU 18 Ca 0.50 0.10 -0.01 0.00 -0.12 0.00 0.00 57.88 58.35 1f55 h LEU 18 Cb 0.94 0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.88 1f55 h LEU 18 CO -0.79 0.13 -0.08 -0.26 -0.62 0.00 0.00 178.44 176.82 1f55 h PHE 19 N 0.54 -0.22 -3.49 1.25 0.04 0.21 -3.45 116.94 111.82 1f55 h PHE 19 Ca 0.60 -0.01 -0.43 0.00 2.80 0.00 0.00 57.97 60.94 1f55 h PHE 19 Cb 1.27 0.07 0.19 0.00 2.20 0.00 0.00 35.95 39.68 1f55 h PHE 19 CO -0.00 0.21 0.08 0.34 -0.60 0.00 0.00 178.31 178.33 1f55 s ASP 20 N -5.41 1.36 0.00 2.17 -1.08 -0.53 -3.53 116.67 109.65 1f55 s ASP 20 Ca -0.14 1.20 0.00 0.00 -0.52 0.00 0.00 52.55 53.09 1f55 s ASP 20 Cb 0.01 -1.85 0.00 0.00 -1.46 0.00 0.00 42.92 39.62 1f55 s ASP 20 CO 0.52 -3.92 0.15 0.29 0.52 0.00 0.00 175.17 172.74 1f55 n LYS 21 N -4.70 0.01 0.00 4.34 4.76 -1.26 -4.77 118.16 116.53 1f55 n LYS 21 Ca 0.05 -0.15 0.02 0.00 -2.87 0.00 0.00 58.31 55.36 1f55 n LYS 21 Cb 0.57 -0.61 -0.02 0.00 -1.84 0.00 0.00 35.03 33.13 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 -0.04 0.36 -0.32 4.39 8.00 -1.26 -4.98 116.55 122.70 1f55 n ASP 22 Ca 0.00 -0.68 -0.04 0.00 0.71 0.00 0.00 54.79 54.78 1f55 n ASP 22 Cb 0.14 0.87 -0.02 0.00 -0.02 0.00 0.00 41.12 42.09 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 -0.92 -5.09 0.00 -2.24 3.02 -1.26 -4.80 115.26 103.97 1f55 n ASN 23 Ca 0.01 0.10 0.10 0.00 -0.03 0.00 0.00 54.58 54.76 1f55 n ASN 23 Cb 0.07 -2.95 0.57 0.00 -0.61 0.00 0.00 39.78 36.86 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 -0.65 0.00 0.00 6.41 5.03 -1.26 -4.79 115.26 119.99 1f55 n ASN 24 Ca -0.04 -0.59 0.00 0.00 0.87 0.00 0.00 54.58 54.82 1f55 n ASN 24 Cb 0.40 -0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.16 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 0.19 1.07 3.25 7.41 0.00 -1.26 -5.01 105.19 110.84 1f55 n GLY 25 Ca 0.14 0.00 -0.23 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 -3.07 2.31 -0.16 1.61 0.15 -1.26 -2.69 113.70 110.59 1f55 s SER 26 Ca 0.00 -0.66 0.01 0.00 0.70 0.00 0.00 55.95 56.00 1f55 s SER 26 Cb 0.00 -0.12 0.01 0.00 -1.71 0.00 0.00 66.02 64.20 1f55 s SER 26 CO 0.00 0.03 -0.18 -0.63 1.20 0.00 0.00 173.24 173.66 1f55 s ILE 27 N -1.16 2.39 0.59 6.45 1.01 0.23 -4.76 121.20 125.95 1f55 s ILE 27 Ca 0.04 -0.86 -0.05 0.00 0.00 0.00 0.00 60.65 59.79 1f55 s ILE 27 Cb -0.10 -1.99 0.13 0.00 0.01 0.00 0.00 42.46 40.50 1f55 s ILE 27 CO 0.04 0.53 0.81 -0.24 0.00 0.00 0.00 174.94 176.07 1f55 n SER 28 N 4.18 0.62 0.30 3.58 2.88 -1.26 -1.13 113.62 122.78 1f55 n SER 28 Ca -0.20 -1.63 -0.17 0.00 -1.33 0.00 0.00 58.87 55.55 1f55 n SER 28 Cb 0.51 -0.57 -0.09 0.00 -0.75 0.00 0.00 64.21 63.32 1f55 n SER 28 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1f55 h SER 29 N -0.75 -1.21 -0.59 -3.46 0.02 -1.89 -2.65 113.55 103.02 1f55 h SER 29 Ca -0.26 0.09 -0.03 0.00 -0.84 0.00 0.00 61.79 60.74 1f55 h SER 29 Cb 0.86 0.39 -0.03 0.00 0.14 0.00 0.00 62.40 63.76 1f55 h SER 29 CO 0.24 -0.62 0.24 0.77 -1.14 0.00 0.00 176.83 176.32 1f55 h SER 30 N -0.95 0.81 -0.01 3.07 4.64 -1.93 -2.72 113.55 116.46 1f55 h SER 30 Ca -0.07 -0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 1f55 h SER 30 Cb 0.81 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 62.68 1f55 h SER 30 CO -0.01 0.75 -0.01 -0.33 -0.87 0.00 0.00 176.83 176.36 1f55 h GLU 31 N 0.82 -0.00 -0.29 4.77 5.08 -1.82 0.84 114.58 123.98 1f55 h GLU 31 Ca 0.20 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.62 1f55 h GLU 31 Cb 0.19 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.37 1f55 h GLU 31 CO -0.02 -0.00 -0.14 1.25 -1.00 0.00 0.00 179.01 179.10 1f55 h LEU 32 N -0.00 -0.47 -1.82 1.33 6.46 -1.51 0.36 115.31 119.66 1f55 h LEU 32 Ca 0.00 0.11 0.00 0.00 -0.12 0.00 0.00 57.88 57.87 1f55 h LEU 32 Cb 0.01 0.26 0.00 0.00 -0.73 0.00 0.00 40.66 40.20 1f55 h LEU 32 CO -0.01 -0.17 0.09 0.00 -0.62 0.00 0.00 178.44 177.72 1f55 h ALA 33 N 1.13 1.07 -0.13 1.25 0.00 -0.94 -1.36 119.26 120.28 1f55 h ALA 33 Ca 0.15 0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.10 1f55 h ALA 33 Cb 0.32 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1f55 h ALA 33 CO -0.35 -0.07 0.13 1.15 0.00 0.00 0.00 179.25 180.11 1f55 h THR 34 N 0.00 0.57 -1.20 0.00 2.02 0.49 -2.17 112.91 112.63 1f55 h THR 34 Ca 0.00 0.00 0.35 0.00 0.77 0.00 0.00 66.41 67.53 1f55 h THR 34 Cb 0.17 0.90 -0.05 0.00 -1.74 0.00 0.00 68.15 67.44 1f55 h THR 34 CO 0.00 0.00 1.12 0.58 0.37 0.00 0.00 175.52 177.59 1f55 h VAL 35 N 0.00 0.10 0.00 3.16 2.07 -1.37 1.82 116.25 122.03 1f55 h VAL 35 Ca 0.06 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.58 1f55 h VAL 35 Cb 0.32 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.23 1f55 h VAL 35 CO -0.00 0.00 0.00 0.23 0.02 0.00 0.00 177.57 177.82 1f55 n MET 36 N -3.59 0.01 -0.35 1.57 2.81 -0.82 -3.39 117.12 113.37 1f55 n MET 36 Ca 0.26 0.39 -0.02 0.00 -1.81 0.00 0.00 57.70 56.52 1f55 n MET 36 Cb 1.49 -1.53 0.03 0.00 -0.71 0.00 0.00 33.22 32.50 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 0.00 -0.03 0.00 0.03 9.65 0.26 2.58 114.38 126.86 1f55 h ARG 37 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1f55 h ARG 37 Cb 0.12 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.71 1f55 h ARG 37 CO 0.00 -0.02 0.00 0.66 2.80 0.00 0.00 179.97 183.41 1f55 h SER 38 N -0.04 0.00 -0.65 -3.80 4.64 -1.80 -2.63 113.55 109.27 1f55 h SER 38 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 1f55 h SER 38 Cb 0.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 1f55 h SER 38 CO -0.92 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 175.22 1f55 n LEU 39 N -2.54 3.73 0.00 5.97 4.77 0.68 -4.88 117.00 124.73 1f55 n LEU 39 Ca 0.02 -1.82 0.00 0.00 -0.03 0.00 0.00 56.01 54.19 1f55 n LEU 39 Cb 0.31 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 1f55 n LEU 39 CO 0.25 0.91 0.00 0.61 -1.33 0.00 0.00 177.39 177.83 1f55 n GLY 40 N 1.61 0.68 2.73 -0.72 0.00 0.18 -4.84 105.19 104.83 1f55 n GLY 40 Ca 0.23 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.22 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 0.00 -6.31 -2.66 0.99 7.94 0.71 -4.84 117.00 112.83 1f55 n LEU 41 Ca 0.00 1.81 -0.03 0.00 -1.11 0.00 0.00 56.01 56.68 1f55 n LEU 41 Cb 0.00 -2.99 0.08 0.00 0.53 0.00 0.00 43.42 41.05 1f55 n LEU 41 CO 0.00 -3.55 0.72 -0.24 -1.11 0.00 0.00 177.39 173.21 1f55 n SER 42 N 1.54 -1.16 -4.66 1.96 2.88 -1.26 -4.92 113.62 108.00 1f55 n SER 42 Ca -0.24 -1.75 -0.43 0.00 -1.33 0.00 0.00 58.87 55.12 1f55 n SER 42 Cb 0.40 1.09 -0.02 0.00 -0.75 0.00 0.00 64.21 64.93 1f55 n SER 42 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1f55 s PRO 43 N 0.03 4.26 0.23 -1.46 0.04 -1.26 -5.00 135.00 131.84 1f55 s PRO 43 Ca 0.16 1.37 -0.30 0.00 0.04 0.00 0.00 61.00 62.27 1f55 s PRO 43 Cb 0.24 -3.64 -0.09 0.00 0.04 0.00 0.00 34.50 31.04 1f55 s PRO 43 CO -0.16 -0.63 1.36 -1.12 0.04 0.00 0.00 177.00 176.49 1f55 s SER 44 N 1.22 6.80 0.30 6.66 0.01 -1.26 -4.57 113.70 122.86 1f55 s SER 44 Ca 0.44 2.52 0.19 0.00 1.31 0.00 0.00 55.95 60.42 1f55 s SER 44 Cb -0.15 -2.62 1.08 0.00 0.21 0.00 0.00 66.02 64.54 1f55 s SER 44 CO 0.06 -0.59 1.21 -1.84 0.41 0.00 0.00 173.24 172.50 1f55 n GLU 45 N 2.35 -0.04 0.12 12.44 -0.00 -1.26 0.12 120.64 134.37 1f55 n GLU 45 Ca 0.06 1.03 -0.13 0.00 -0.00 0.00 0.00 57.16 58.12 1f55 n GLU 45 Cb 0.42 -1.91 -0.06 0.00 -0.00 0.00 0.00 31.44 29.89 1f55 n GLU 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1f55 h ALA 46 N 1.43 -0.35 0.00 -1.84 0.00 -1.98 0.51 119.26 117.03 1f55 h ALA 46 Ca 0.66 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 55.40 1f55 h ALA 46 Cb 1.89 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 19.95 1f55 h ALA 46 CO -0.51 -0.73 -0.60 0.93 0.00 0.00 0.00 179.25 178.33 1f55 h GLU 47 N -0.39 0.00 0.24 0.00 4.39 0.58 -1.69 114.58 117.71 1f55 h GLU 47 Ca 0.01 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 1f55 h GLU 47 Cb 0.39 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 1f55 h GLU 47 CO -0.08 0.60 -0.11 0.28 -1.16 0.00 0.00 179.01 178.54 1f55 h VAL 48 N 0.00 0.00 -0.74 3.13 2.07 0.18 -2.14 116.25 118.74 1f55 h VAL 48 Ca -0.01 -0.17 0.07 0.00 0.82 0.00 0.00 66.70 67.41 1f55 h VAL 48 Cb 1.23 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.96 1f55 h VAL 48 CO 0.08 0.00 0.49 -1.13 0.02 0.00 0.00 177.57 177.03 1f55 h ASN 49 N -0.49 0.68 0.66 0.57 -0.73 -0.11 -2.75 115.58 113.42 1f55 h ASN 49 Ca -0.03 0.00 -0.03 0.00 1.87 0.00 0.00 56.30 58.11 1f55 h ASN 49 Cb 0.25 -0.14 -0.00 0.00 0.27 0.00 0.00 38.32 38.69 1f55 h ASN 49 CO 0.05 0.44 -0.38 0.44 -0.37 0.00 0.00 177.43 177.61 1f55 h ASP 50 N 0.78 -0.95 -0.70 1.15 5.19 -1.34 1.82 116.42 122.37 1f55 h ASP 50 Ca 0.32 0.05 0.14 0.00 -0.62 0.00 0.00 57.03 56.92 1f55 h ASP 50 Cb 0.26 0.27 -0.13 0.00 0.18 0.00 0.00 39.33 39.91 1f55 h ASP 50 CO -0.11 -0.60 -0.18 -0.07 -3.12 0.00 0.00 179.24 175.17 1f55 h LEU 51 N -0.97 -0.66 -0.44 1.55 4.07 -1.18 2.13 115.31 119.81 1f55 h LEU 51 Ca -0.09 0.21 -0.17 0.00 0.08 0.00 0.00 57.88 57.91 1f55 h LEU 51 Cb 0.77 0.44 -0.00 0.00 1.08 0.00 0.00 40.66 42.94 1f55 h LEU 51 CO 0.11 -0.23 -0.60 -0.03 -1.08 0.00 0.00 178.44 176.60 1f55 h MET 52 N 0.00 0.58 -0.00 1.13 4.05 -1.30 -3.07 114.93 116.32 1f55 h MET 52 Ca 0.34 -0.39 -0.15 0.00 -0.28 0.00 0.00 59.70 59.22 1f55 h MET 52 Cb 0.51 0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 31.35 1f55 h MET 52 CO -0.73 1.01 -0.70 -0.97 0.23 0.00 0.00 176.91 175.75 1f55 h ASN 53 N 0.43 0.02 0.03 1.39 -1.24 0.55 0.03 115.58 116.79 1f55 h ASN 53 Ca -0.00 -0.01 -0.07 0.00 0.71 0.00 0.00 56.30 56.92 1f55 h ASN 53 Cb 1.17 -0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.20 1f55 h ASN 53 CO 0.11 0.71 -0.21 -0.08 -1.29 0.00 0.00 177.43 176.67 1f55 h GLU 54 N 0.01 0.32 -0.01 6.67 4.57 0.34 -2.83 114.58 123.65 1f55 h GLU 54 Ca -0.01 -0.10 0.00 0.00 -1.18 0.00 0.00 59.36 58.07 1f55 h GLU 54 Cb 1.24 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.80 1f55 h GLU 54 CO 0.09 0.52 -0.52 -0.89 -1.18 0.00 0.00 179.01 177.03 1f55 n ILE 55 N -4.18 0.00 -1.34 2.32 5.41 -1.17 -4.81 119.36 115.60 1f55 n ILE 55 Ca -0.01 -0.24 -0.24 0.00 1.00 0.00 0.00 62.75 63.26 1f55 n ILE 55 Cb 0.35 1.19 -0.11 0.00 -0.71 0.00 0.00 39.64 40.35 1f55 n ILE 55 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1f55 n ASP 56 N -0.34 1.44 0.06 4.38 -0.08 -0.01 -4.66 116.55 117.34 1f55 n ASP 56 Ca 0.07 -2.52 0.05 0.00 -1.51 0.00 0.00 54.79 50.88 1f55 n ASP 56 Cb 0.39 -1.40 0.47 0.00 2.34 0.00 0.00 41.12 42.92 1f55 n ASP 56 CO 0.00 0.00 0.00 -0.37 0.12 0.00 0.00 177.20 176.95 1f55 h VAL 57 N 6.14 1.09 0.00 5.18 -1.51 -1.87 -2.95 116.25 122.33 1f55 h VAL 57 Ca 0.10 -0.17 -0.32 0.00 -1.23 0.00 0.00 66.70 65.08 1f55 h VAL 57 Cb 0.91 0.63 -0.06 0.00 -2.13 0.00 0.00 31.29 30.64 1f55 h VAL 57 CO 1.32 0.09 -2.29 -0.90 -1.23 0.00 0.00 177.57 174.55 1f55 n ASP 58 N -4.48 0.06 -0.69 4.19 5.68 -1.26 -5.04 116.55 115.02 1f55 n ASP 58 Ca 0.02 0.03 0.00 0.00 -0.50 0.00 0.00 54.79 54.34 1f55 n ASP 58 Cb 0.07 1.04 0.00 0.00 -1.14 0.00 0.00 41.12 41.09 1f55 n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1f55 n GLY 59 N 1.68 0.86 1.21 6.12 0.00 -1.12 -5.03 105.19 108.91 1f55 n GLY 59 Ca -0.29 -0.57 -0.00 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.66 2.10 -1.66 1.61 6.94 -1.26 -4.94 115.26 117.40 1f55 n ASN 60 Ca 0.00 -3.33 -0.19 0.00 -0.02 0.00 0.00 54.58 51.05 1f55 n ASN 60 Cb 0.23 -0.44 -0.07 0.00 -2.36 0.00 0.00 39.78 37.14 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 -0.66 -0.25 -3.59 -2.53 8.25 -1.26 -4.88 115.22 110.30 1f55 n HIS 61 Ca 0.20 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.60 1f55 n HIS 61 Cb 0.85 -3.26 -0.02 0.00 1.12 0.00 0.00 29.99 28.68 1f55 n HIS 61 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 1f55 s GLN 62 N -3.77 0.71 0.06 -0.41 -2.07 -1.26 -3.14 119.66 109.78 1f55 s GLN 62 Ca 0.00 -0.31 0.03 0.00 -1.82 0.00 0.00 55.36 53.26 1f55 s GLN 62 Cb 0.00 0.29 -0.03 0.00 -1.09 0.00 0.00 33.01 32.18 1f55 s GLN 62 CO 0.00 -0.31 -0.08 0.96 -1.32 0.00 0.00 175.29 174.53 1f55 s ILE 63 N -2.89 0.66 0.43 3.63 -5.25 -0.29 -4.66 121.20 112.84 1f55 s ILE 63 Ca 0.09 -1.31 0.08 0.00 -0.99 0.00 0.00 60.65 58.52 1f55 s ILE 63 Cb -0.00 -0.92 0.01 0.00 2.95 0.00 0.00 42.46 44.50 1f55 s ILE 63 CO -0.05 -0.47 0.57 -1.61 -1.79 0.00 0.00 174.94 171.58 1f55 s GLU 64 N -2.11 2.79 0.00 0.37 0.41 -1.26 0.75 118.70 119.64 1f55 s GLU 64 Ca -0.04 -1.28 0.00 0.00 -0.41 0.00 0.00 54.97 53.24 1f55 s GLU 64 Cb -0.07 -2.73 0.00 0.00 -1.78 0.00 0.00 34.13 29.56 1f55 s GLU 64 CO -0.00 -0.29 0.96 0.34 -0.49 0.00 0.00 175.26 175.77 1f55 n PHE 65 N -1.85 0.00 -0.25 1.61 7.35 -1.10 -0.92 117.46 122.30 1f55 n PHE 65 Ca 0.08 0.00 0.12 0.00 -0.76 0.00 0.00 57.45 56.88 1f55 n PHE 65 Cb 0.59 -0.46 0.23 0.00 0.35 0.00 0.00 39.48 40.19 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 -2.61 -0.07 -0.18 -2.13 2.88 -1.26 0.25 113.62 110.51 1f55 n SER 66 Ca 0.00 1.25 -0.07 0.00 -1.33 0.00 0.00 58.87 58.72 1f55 n SER 66 Cb 0.00 -0.46 0.02 0.00 -0.75 0.00 0.00 64.21 63.02 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 0.70 -0.16 -1.46 5.08 -1.37 -0.13 114.58 117.24 1f55 h GLU 67 Ca 0.46 -0.06 0.05 0.00 -1.00 0.00 0.00 59.36 58.80 1f55 h GLU 67 Cb 0.95 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 1f55 h GLU 67 CO -0.69 0.49 0.14 0.35 -1.00 0.00 0.00 179.01 178.31 1f55 h PHE 68 N 0.70 0.00 0.06 4.33 3.57 0.46 -0.06 116.94 126.01 1f55 h PHE 68 Ca 0.19 0.00 -0.24 0.00 3.53 0.00 0.00 57.97 61.45 1f55 h PHE 68 Cb -0.04 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.70 1f55 h PHE 68 CO -0.03 0.00 -1.06 -0.07 -2.23 0.00 0.00 178.31 174.92 1f55 h LEU 69 N 0.00 0.42 -0.46 0.59 -0.00 -0.10 0.93 115.31 116.69 1f55 h LEU 69 Ca 0.07 -0.38 -0.01 0.00 -0.00 0.00 0.00 57.88 57.56 1f55 h LEU 69 Cb 0.36 -0.13 -0.02 0.00 -0.00 0.00 0.00 40.66 40.87 1f55 h LEU 69 CO -0.00 1.23 0.24 0.00 -0.00 0.00 0.00 178.44 179.92 1f55 h ALA 70 N 0.72 0.59 0.11 1.53 0.00 -0.02 -2.48 119.26 119.71 1f55 h ALA 70 Ca -0.09 -0.10 -0.31 0.00 0.00 0.00 0.00 54.91 54.41 1f55 h ALA 70 Cb 1.74 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.34 1f55 h ALA 70 CO 0.17 0.13 -1.57 1.25 0.00 0.00 0.00 179.25 179.24 1f55 h LEU 71 N 0.60 0.35 0.00 0.00 5.85 -1.54 -3.41 115.31 117.17 1f55 h LEU 71 Ca 0.16 -0.52 0.00 0.00 0.84 0.00 0.00 57.88 58.36 1f55 h LEU 71 Cb 0.07 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 40.99 1f55 h LEU 71 CO -0.02 1.44 0.00 0.80 -0.34 0.00 0.00 178.44 180.31 1f55 n MET 72 N -3.42 0.00 -0.93 1.25 1.56 0.32 -4.74 117.12 111.16 1f55 n MET 72 Ca -0.17 0.01 -0.37 0.00 -0.27 0.00 0.00 57.70 56.90 1f55 n MET 72 Cb 1.04 -1.00 0.06 0.00 2.15 0.00 0.00 33.22 35.48 1f55 n MET 72 CO 0.00 0.00 0.00 -1.13 -0.73 0.00 0.00 175.97 174.11 1f55 n SER 73 N -0.51 -3.64 -4.18 6.12 3.41 -0.94 -4.92 113.62 108.97 1f55 n SER 73 Ca 0.00 0.05 -0.35 0.00 -0.26 0.00 0.00 58.87 58.31 1f55 n SER 73 Cb 0.00 -0.70 -0.13 0.00 -0.26 0.00 0.00 64.21 63.12 1f55 n SER 73 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1f55 s ARG 74 N -2.37 2.40 0.00 4.33 0.52 -1.26 -4.83 118.95 117.74 1f55 s ARG 74 Ca 0.42 -1.31 0.00 0.00 -0.52 0.00 0.00 55.73 54.32 1f55 s ARG 74 Cb -0.03 -3.26 0.00 0.00 0.52 0.00 0.00 34.95 32.18 1f55 s ARG 74 CO 0.71 -0.67 0.00 0.00 0.02 0.00 0.00 175.30 175.35 1f55 n GLN 75 N 4.64 0.00 -4.36 3.54 10.64 -1.26 -5.13 117.38 125.45 1f55 n GLN 75 Ca -0.12 0.00 -0.19 0.00 -1.83 0.00 0.00 57.00 54.86 1f55 n GLN 75 Cb 0.43 -0.26 -0.10 0.00 -0.86 0.00 0.00 30.24 29.45 1f55 n GLN 75 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 1f55 s LEU 76 N -2.65 2.53 0.00 2.61 2.01 -1.26 -5.26 118.68 116.66 1f55 s LEU 76 Ca 0.00 -1.06 0.00 0.00 0.01 0.00 0.00 54.13 53.08 1f55 s LEU 76 Cb 0.00 -0.65 0.00 0.00 0.01 0.00 0.00 46.19 45.55 1f55 s LEU 76 CO 0.00 -0.22 0.00 1.17 1.01 0.00 0.00 176.35 178.31