#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mc7 s VAL 2 N 0.00 4.23 -0.27 1.08 1.01 -1.26 -4.84 120.40 120.35 1mc7 s VAL 2 Ca 0.00 1.51 -0.00 0.00 0.00 0.00 0.00 61.98 63.49 1mc7 s VAL 2 Cb 0.00 -3.97 0.08 0.00 0.00 0.00 0.00 36.38 32.49 1mc7 s VAL 2 CO 0.00 -0.10 0.04 -0.89 0.00 0.00 0.00 175.10 174.15 1mc7 s THR 3 N 3.23 1.08 0.56 3.92 2.01 -1.26 -4.26 115.64 120.92 1mc7 s THR 3 Ca 0.56 -1.24 0.04 0.00 0.31 0.00 0.00 61.69 61.37 1mc7 s THR 3 Cb -0.23 -1.64 0.06 0.00 0.01 0.00 0.00 72.50 70.70 1mc7 s THR 3 CO 0.17 -0.41 0.77 -1.48 -0.69 0.00 0.00 174.62 172.98 1mc7 s LEU 4 N 1.55 3.27 -0.26 4.42 2.34 -1.26 -5.03 118.68 123.71 1mc7 s LEU 4 Ca 0.03 -0.38 -0.02 0.00 0.06 0.00 0.00 54.13 53.82 1mc7 s LEU 4 Cb -0.18 -2.34 0.12 0.00 -0.56 0.00 0.00 46.19 43.23 1mc7 s LEU 4 CO -0.15 -1.24 0.26 0.20 -1.06 0.00 0.00 176.35 174.35 1mc7 s ASN 5 N -4.53 1.70 -0.47 1.48 0.01 -1.26 -4.54 114.94 107.33 1mc7 s ASN 5 Ca 0.60 -0.57 0.06 0.00 -0.71 0.00 0.00 52.86 52.23 1mc7 s ASN 5 Cb -0.08 0.40 0.19 0.00 0.41 0.00 0.00 41.25 42.18 1mc7 s ASN 5 CO 0.38 -0.37 0.61 0.80 -1.51 0.00 0.00 177.10 177.01 1mc7 n MET 6 N 5.31 0.47 -1.39 -0.60 1.56 -1.26 -5.13 117.12 116.08 1mc7 n MET 6 Ca -0.04 -2.47 0.17 0.00 -0.27 0.00 0.00 57.70 55.10 1mc7 n MET 6 Cb 0.47 -1.51 -0.07 0.00 2.15 0.00 0.00 33.22 34.26 1mc7 n MET 6 CO 0.00 0.00 0.00 0.39 -0.73 0.00 0.00 175.97 175.63 1mc7 n GLU 7 N 2.62 -2.95 -3.70 2.12 1.02 -1.26 -4.71 120.64 113.78 1mc7 n GLU 7 Ca 0.21 2.22 -0.27 0.00 -0.02 0.00 0.00 57.16 59.30 1mc7 n GLU 7 Cb 0.54 -3.55 -0.11 0.00 -0.02 0.00 0.00 31.44 28.30 1mc7 n GLU 7 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1mc7 n ARG 8 N -4.16 1.69 -2.80 3.49 0.63 -1.26 -4.99 116.66 109.25 1mc7 n ARG 8 Ca -0.04 -4.28 -0.20 0.00 -0.92 0.00 0.00 57.85 52.41 1mc7 n ARG 8 Cb 0.67 -2.14 0.04 0.00 0.45 0.00 0.00 32.46 31.48 1mc7 n ARG 8 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 1mc7 s HIS 9 N -1.45 2.39 -0.86 -0.14 3.76 -1.26 -4.99 115.29 112.75 1mc7 s HIS 9 Ca 0.30 -0.29 0.01 0.00 -0.15 0.00 0.00 55.06 54.93 1mc7 s HIS 9 Cb 0.02 -2.59 0.32 0.00 1.11 0.00 0.00 32.58 31.43 1mc7 s HIS 9 CO -0.14 -0.93 1.38 -2.39 -0.85 0.00 0.00 174.74 171.81 1mc7 n HIS 10 N -2.26 3.16 -3.64 1.40 1.44 -1.26 -4.58 115.22 109.48 1mc7 n HIS 10 Ca 0.10 -3.18 -0.07 0.00 -2.01 0.00 0.00 57.72 52.56 1mc7 n HIS 10 Cb 0.60 -0.92 -0.07 0.00 0.12 0.00 0.00 29.99 29.72 1mc7 n HIS 10 CO 0.00 0.00 0.00 0.12 -2.81 0.00 0.00 176.34 173.65 1mc7 s PHE 11 N -3.60 -0.62 0.24 -1.40 2.19 -1.26 -5.00 117.98 108.54 1mc7 s PHE 11 Ca 0.41 1.37 0.00 0.00 0.33 0.00 0.00 56.93 59.04 1mc7 s PHE 11 Cb 0.19 0.38 0.00 0.00 -1.31 0.00 0.00 43.02 42.28 1mc7 s PHE 11 CO -0.08 -0.30 0.00 -0.11 1.83 0.00 0.00 175.22 176.56 1mc7 n LEU 12 N 3.00 -2.16 -0.20 6.12 -0.00 -1.26 -5.10 117.00 117.39 1mc7 n LEU 12 Ca -0.15 0.67 0.00 0.00 -0.00 0.00 0.00 56.01 56.53 1mc7 n LEU 12 Cb 0.57 2.23 0.00 0.00 -0.00 0.00 0.00 43.42 46.22 1mc7 n LEU 12 CO 0.02 0.14 0.00 0.61 -0.00 0.00 0.00 177.39 178.16 1mc7 n GLY 13 N -1.29 0.58 3.36 -3.96 0.00 -1.26 -4.81 105.19 97.81 1mc7 n GLY 13 Ca 0.00 -0.61 -0.21 0.00 0.00 0.00 0.00 46.02 45.20 1mc7 n GLY 13 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1mc7 s ILE 14 N -0.98 0.23 -0.11 -0.61 -5.25 -1.26 -3.41 121.20 109.81 1mc7 s ILE 14 Ca 0.00 -2.00 -0.32 0.00 -0.99 0.00 0.00 60.65 57.34 1mc7 s ILE 14 Cb 0.00 -2.45 0.12 0.00 2.95 0.00 0.00 42.46 43.08 1mc7 s ILE 14 CO 0.00 0.00 1.07 -0.44 -1.79 0.00 0.00 174.94 173.78 1mc7 s SER 15 N -3.43 -0.23 0.47 4.36 0.01 -1.24 -5.00 113.70 108.62 1mc7 s SER 15 Ca 0.34 0.00 0.06 0.00 1.31 0.00 0.00 55.95 57.67 1mc7 s SER 15 Cb 0.03 0.25 -0.01 0.00 0.21 0.00 0.00 66.02 66.49 1mc7 s SER 15 CO 0.21 -0.40 0.26 0.27 0.41 0.00 0.00 173.24 174.00 1mc7 s ILE 16 N -2.70 2.03 0.26 1.44 -5.25 -1.26 0.20 121.20 115.92 1mc7 s ILE 16 Ca 0.07 -1.61 -0.22 0.00 -0.99 0.00 0.00 60.65 57.91 1mc7 s ILE 16 Cb -0.01 -2.64 0.03 0.00 2.95 0.00 0.00 42.46 42.79 1mc7 s ILE 16 CO -0.06 0.00 0.73 0.54 -1.79 0.00 0.00 174.94 174.35 1mc7 s VAL 17 N -2.66 0.00 0.00 8.37 0.11 0.22 -4.07 120.40 122.37 1mc7 s VAL 17 Ca 0.36 -0.87 0.00 0.00 -2.93 0.00 0.00 61.98 58.54 1mc7 s VAL 17 Cb 0.01 -1.89 0.00 0.00 -1.53 0.00 0.00 36.38 32.96 1mc7 s VAL 17 CO 0.21 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.59 1mc7 n GLY 18 N -0.45 4.67 0.00 6.54 0.00 -1.26 -1.03 105.19 113.65 1mc7 n GLY 18 Ca -0.05 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.39 1mc7 n GLY 18 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1mc7 n GLN 19 N 0.00 0.00 -0.85 1.61 7.27 -1.26 -5.00 117.38 119.16 1mc7 n GLN 19 Ca 0.00 0.00 -0.34 0.00 0.07 0.00 0.00 57.00 56.73 1mc7 n GLN 19 Cb 0.00 0.00 0.10 0.00 2.41 0.00 0.00 30.24 32.75 1mc7 n GLN 19 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 1mc7 n SER 20 N 0.00 -3.15 -2.44 1.69 3.41 -1.26 -4.35 113.62 107.53 1mc7 n SER 20 Ca 0.00 0.27 -0.02 0.00 -0.26 0.00 0.00 58.87 58.86 1mc7 n SER 20 Cb 0.00 -1.07 0.00 0.00 -0.26 0.00 0.00 64.21 62.88 1mc7 n SER 20 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1mc7 n ASN 21 N -0.02 -6.44 0.05 4.04 2.85 -1.26 -5.01 115.26 109.47 1mc7 n ASN 21 Ca 0.04 0.80 0.00 0.00 -0.11 0.00 0.00 54.58 55.31 1mc7 n ASN 21 Cb 0.55 -4.23 0.00 0.00 1.24 0.00 0.00 39.78 37.34 1mc7 n ASN 21 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 1mc7 n ASP 22 N 0.17 -0.53 0.00 1.20 4.64 -1.26 -5.06 116.55 115.71 1mc7 n ASP 22 Ca 0.04 0.17 0.00 0.00 -1.38 0.00 0.00 54.79 53.62 1mc7 n ASP 22 Cb 0.14 0.71 0.00 0.00 -1.04 0.00 0.00 41.12 40.93 1mc7 n ASP 22 CO 0.00 0.00 0.00 -1.14 -0.82 0.00 0.00 177.20 175.24 1mc7 n ARG 23 N -2.73 0.00 -4.03 -0.67 0.63 -1.26 -4.99 116.66 103.61 1mc7 n ARG 23 Ca 0.00 0.00 -0.36 0.00 -0.92 0.00 0.00 57.85 56.57 1mc7 n ARG 23 Cb 0.00 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 32.90 1mc7 n ARG 23 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1mc7 n GLY 24 N 0.00 -0.55 0.00 5.14 0.00 -1.26 -4.86 105.19 103.65 1mc7 n GLY 24 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1mc7 n GLY 24 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1mc7 n ASP 25 N -1.74 0.00 -0.05 1.61 -0.08 -1.26 -5.10 116.55 109.92 1mc7 n ASP 25 Ca -0.13 0.00 -0.04 0.00 -1.51 0.00 0.00 54.79 53.11 1mc7 n ASP 25 Cb 0.49 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.93 1mc7 n ASP 25 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1mc7 n GLY 26 N 0.00 -0.75 2.98 0.27 0.00 -1.26 -4.72 105.19 101.71 1mc7 n GLY 26 Ca 0.00 -0.15 -0.13 0.00 0.00 0.00 0.00 46.02 45.74 1mc7 n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mc7 n GLY 27 N 1.60 -1.45 3.66 -0.02 0.00 -1.26 -4.82 105.19 102.90 1mc7 n GLY 27 Ca -0.06 1.04 -0.44 0.00 0.00 0.00 0.00 46.02 46.55 1mc7 n GLY 27 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1mc7 n ILE 28 N -0.01 1.48 -4.32 -0.61 2.08 -1.26 -4.96 119.36 111.75 1mc7 n ILE 28 Ca 0.05 -0.37 -0.18 0.00 0.56 0.00 0.00 62.75 62.81 1mc7 n ILE 28 Cb 0.43 -1.36 -0.10 0.00 -0.75 0.00 0.00 39.64 37.86 1mc7 n ILE 28 CO 0.00 0.00 0.00 -0.72 0.56 0.00 0.00 176.55 176.39 1mc7 s TYR 29 N -0.59 1.64 0.06 1.39 1.13 -0.20 -4.18 117.35 116.61 1mc7 s TYR 29 Ca 0.63 -0.57 -0.34 0.00 -1.41 0.00 0.00 57.07 55.37 1mc7 s TYR 29 Cb -0.65 -0.79 -0.13 0.00 -1.10 0.00 0.00 41.96 39.29 1mc7 s TYR 29 CO 0.56 0.30 1.66 1.51 -2.51 0.00 0.00 175.55 177.06 1mc7 n ILE 30 N -0.14 0.19 -0.17 -3.49 0.13 -1.00 0.71 119.36 115.60 1mc7 n ILE 30 Ca -0.10 -0.03 -0.09 0.00 -1.10 0.00 0.00 62.75 61.43 1mc7 n ILE 30 Cb 0.59 -1.57 0.01 0.00 -0.84 0.00 0.00 39.64 37.83 1mc7 n ILE 30 CO 0.00 0.00 0.00 1.23 2.80 0.00 0.00 176.55 180.58 1mc7 h GLY 31 N 6.87 0.78 0.00 4.50 0.00 0.22 -3.36 103.07 112.07 1mc7 h GLY 31 Ca -0.46 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 46.42 1mc7 h GLY 31 CO 0.90 0.42 0.00 1.44 0.00 0.00 0.00 176.54 179.30 1mc7 n SER 32 N -4.55 0.00 -4.09 0.19 7.64 -1.24 -4.64 113.62 106.93 1mc7 n SER 32 Ca 0.01 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.62 1mc7 n SER 32 Cb 0.17 0.00 -0.17 0.00 -1.01 0.00 0.00 64.21 63.21 1mc7 n SER 32 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1mc7 s ILE 33 N -2.00 1.49 -0.85 0.44 1.09 -1.26 -3.72 121.20 116.38 1mc7 s ILE 33 Ca 0.00 -0.68 -0.19 0.00 -1.10 0.00 0.00 60.65 58.69 1mc7 s ILE 33 Cb 0.00 -1.33 -0.21 0.00 -1.06 0.00 0.00 42.46 39.86 1mc7 s ILE 33 CO 0.00 0.43 2.24 0.23 -0.10 0.00 0.00 174.94 177.75 1mc7 n MET 34 N 3.79 0.30 -1.01 2.79 2.81 -1.22 -4.84 117.12 119.75 1mc7 n MET 34 Ca -0.21 -0.56 -0.36 0.00 -1.81 0.00 0.00 57.70 54.76 1mc7 n MET 34 Cb 0.52 -2.63 0.04 0.00 -0.71 0.00 0.00 33.22 30.44 1mc7 n MET 34 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 1mc7 n LYS 35 N 7.39 -0.00 -3.56 0.03 -0.00 -1.26 -3.49 118.16 117.26 1mc7 n LYS 35 Ca 0.52 -0.00 -0.37 0.00 -0.00 0.00 0.00 58.31 58.46 1mc7 n LYS 35 Cb 0.33 -1.01 0.03 0.00 -0.00 0.00 0.00 35.03 34.38 1mc7 n LYS 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1mc7 n GLY 36 N 3.44 -0.09 0.00 2.58 0.00 -1.26 -4.86 105.19 105.00 1mc7 n GLY 36 Ca -0.02 1.07 0.00 0.00 0.00 0.00 0.00 46.02 47.08 1mc7 n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mc7 n GLY 37 N -0.44 2.76 0.00 -0.02 0.00 -1.23 -4.82 105.19 101.44 1mc7 n GLY 37 Ca -0.13 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1mc7 n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mc7 n ALA 38 N -3.00 0.00 0.15 4.61 0.00 -1.26 -3.39 120.51 117.62 1mc7 n ALA 38 Ca 0.00 -0.02 0.02 0.00 0.00 0.00 0.00 53.44 53.44 1mc7 n ALA 38 Cb 0.00 0.00 0.18 0.00 0.00 0.00 0.00 19.45 19.63 1mc7 n ALA 38 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1mc7 h VAL 39 N 0.00 1.06 -0.16 0.00 2.07 -1.93 -2.79 116.25 114.50 1mc7 h VAL 39 Ca 0.00 -2.01 -0.01 0.00 0.82 0.00 0.00 66.70 65.50 1mc7 h VAL 39 Cb 0.00 2.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.96 1mc7 h VAL 39 CO 0.00 0.51 0.05 0.00 0.02 0.00 0.00 177.57 178.14 1mc7 h ALA 40 N 1.48 0.21 0.00 1.67 0.00 -1.79 -1.58 119.26 119.25 1mc7 h ALA 40 Ca -0.01 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1mc7 h ALA 40 Cb 1.15 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1mc7 h ALA 40 CO 0.07 -0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.15 1mc7 h ALA 41 N 0.86 1.00 -0.03 0.00 0.00 -1.56 0.25 119.26 119.78 1mc7 h ALA 41 Ca 0.05 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1mc7 h ALA 41 Cb 0.24 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1mc7 h ALA 41 CO -0.00 0.00 -0.10 0.22 0.00 0.00 0.00 179.25 179.37 1mc7 h ASP 42 N 0.00 -0.30 0.00 0.00 3.58 -1.00 -3.42 116.42 115.29 1mc7 h ASP 42 Ca 0.00 0.05 -0.10 0.00 0.42 0.00 0.00 57.03 57.40 1mc7 h ASP 42 Cb 0.35 0.13 -0.10 0.00 1.72 0.00 0.00 39.33 41.43 1mc7 h ASP 42 CO 0.00 -0.14 0.12 0.61 -2.88 0.00 0.00 179.24 176.95 1mc7 n GLY 43 N -1.23 -0.87 3.98 -0.78 0.00 -1.11 -5.00 105.19 100.18 1mc7 n GLY 43 Ca -0.05 0.27 -0.33 0.00 0.00 0.00 0.00 46.02 45.90 1mc7 n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mc7 n ARG 44 N -0.17 -0.51 -0.96 1.61 1.74 0.85 -4.77 116.66 114.45 1mc7 n ARG 44 Ca -0.19 -0.07 -0.36 0.00 -0.77 0.00 0.00 57.85 56.46 1mc7 n ARG 44 Cb 0.69 -1.78 0.05 0.00 -1.02 0.00 0.00 32.46 30.41 1mc7 n ARG 44 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1mc7 n ILE 45 N -3.99 0.00 -4.37 0.55 2.08 -1.25 -5.00 119.36 107.39 1mc7 n ILE 45 Ca -0.11 -0.30 -0.19 0.00 0.56 0.00 0.00 62.75 62.71 1mc7 n ILE 45 Cb 0.44 -0.11 -0.10 0.00 -0.75 0.00 0.00 39.64 39.12 1mc7 n ILE 45 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 1mc7 s GLU 46 N -2.27 1.39 0.11 0.38 2.02 -1.26 -4.84 118.70 114.23 1mc7 s GLU 46 Ca 0.42 -1.66 -0.09 0.00 0.02 0.00 0.00 54.97 53.66 1mc7 s GLU 46 Cb -0.09 -1.04 -0.13 0.00 0.10 0.00 0.00 34.13 32.98 1mc7 s GLU 46 CO 0.75 0.09 1.29 -1.00 0.02 0.00 0.00 175.26 176.41 1mc7 h PRO 47 N 2.47 0.59 -0.92 0.39 0.13 -1.83 -3.08 132.00 129.75 1mc7 h PRO 47 Ca -0.39 -0.57 -0.04 0.00 -0.87 0.00 0.00 66.00 64.13 1mc7 h PRO 47 Cb 1.22 0.15 -0.03 0.00 0.13 0.00 0.00 31.00 32.47 1mc7 h PRO 47 CO 0.64 1.19 0.06 0.41 -0.23 0.00 0.00 178.00 180.07 1mc7 n GLY 48 N 0.88 2.16 0.21 1.56 0.00 -1.26 -2.36 105.19 106.37 1mc7 n GLY 48 Ca -0.08 -0.28 0.04 0.00 0.00 0.00 0.00 46.02 45.70 1mc7 n GLY 48 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1mc7 h ASP 49 N 0.88 0.01 -1.52 1.61 1.82 -1.84 -3.41 116.42 113.98 1mc7 h ASP 49 Ca 0.05 -0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.69 1mc7 h ASP 49 Cb 1.11 -0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.11 1mc7 h ASP 49 CO 0.19 0.28 0.00 0.80 -1.61 0.00 0.00 179.24 178.91 1mc7 n MET 50 N -4.21 0.00 -2.78 0.28 1.56 -1.26 -3.87 117.12 106.84 1mc7 n MET 50 Ca -0.02 0.00 -0.43 0.00 -0.27 0.00 0.00 57.70 56.97 1mc7 n MET 50 Cb 0.32 -2.08 -0.00 0.00 2.15 0.00 0.00 33.22 33.61 1mc7 n MET 50 CO 0.00 0.00 0.00 -1.17 -0.73 0.00 0.00 175.97 174.07 1mc7 s LEU 51 N -1.52 4.47 0.00 -0.89 1.98 -1.26 -2.59 118.68 118.87 1mc7 s LEU 51 Ca 0.00 -2.65 0.00 0.00 -2.89 0.00 0.00 54.13 48.59 1mc7 s LEU 51 Cb 0.00 -2.48 0.00 0.00 0.66 0.00 0.00 46.19 44.37 1mc7 s LEU 51 CO 0.00 -0.97 0.87 0.00 -1.89 0.00 0.00 176.35 174.36 1mc7 n LEU 52 N 6.99 1.71 -4.04 -0.68 -0.00 -1.22 -4.29 117.00 115.47 1mc7 n LEU 52 Ca 0.41 -1.71 -0.13 0.00 -0.00 0.00 0.00 56.01 54.58 1mc7 n LEU 52 Cb 0.45 0.00 -0.12 0.00 -0.00 0.00 0.00 43.42 43.75 1mc7 n LEU 52 CO 0.68 0.43 -0.40 0.00 -0.00 0.00 0.00 177.39 178.10 1mc7 s GLN 53 N -0.75 0.48 0.02 1.47 -2.07 -0.93 -2.96 119.66 114.93 1mc7 s GLN 53 Ca 0.00 -0.66 -0.01 0.00 -1.82 0.00 0.00 55.36 52.87 1mc7 s GLN 53 Cb 0.00 -0.26 -0.02 0.00 -1.09 0.00 0.00 33.01 31.65 1mc7 s GLN 53 CO 0.00 0.04 -0.01 0.08 -1.32 0.00 0.00 175.29 174.08 1mc7 s VAL 54 N -1.22 0.12 0.00 3.63 1.01 -1.19 0.26 120.40 123.00 1mc7 s VAL 54 Ca -0.09 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 60.91 1mc7 s VAL 54 Cb -0.09 -0.40 0.00 0.00 0.00 0.00 0.00 36.38 35.89 1mc7 s VAL 54 CO 0.00 -0.54 0.00 -3.20 0.00 0.00 0.00 175.10 171.37 1mc7 n ASN 55 N 1.44 0.00 0.00 3.32 2.85 0.70 0.18 115.26 123.75 1mc7 n ASN 55 Ca -0.23 0.00 0.08 0.00 -0.11 0.00 0.00 54.58 54.32 1mc7 n ASN 55 Cb 0.56 0.00 0.48 0.00 1.24 0.00 0.00 39.78 42.05 1mc7 n ASN 55 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 1mc7 n ASP 56 N -1.41 0.00 -4.87 1.20 2.03 -1.26 -4.81 116.55 107.42 1mc7 n ASP 56 Ca 0.00 -1.47 -0.30 0.00 0.52 0.00 0.00 54.79 53.54 1mc7 n ASP 56 Cb 0.00 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.39 1mc7 n ASP 56 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1mc7 s VAL 57 N -2.00 4.74 -0.39 5.18 1.01 0.48 -5.06 120.40 124.36 1mc7 s VAL 57 Ca 0.24 0.73 0.05 0.00 0.00 0.00 0.00 61.98 62.99 1mc7 s VAL 57 Cb 0.11 -3.81 0.16 0.00 0.00 0.00 0.00 36.38 32.85 1mc7 s VAL 57 CO 0.19 -0.84 0.45 0.20 0.00 0.00 0.00 175.10 175.09 1mc7 s ASN 58 N -3.71 0.40 -0.77 3.32 -0.87 -1.26 -3.19 114.94 108.86 1mc7 s ASN 58 Ca 0.53 -1.40 -0.07 0.00 -1.57 0.00 0.00 52.86 50.35 1mc7 s ASN 58 Cb -0.10 0.95 -0.11 0.00 -0.02 0.00 0.00 41.25 41.96 1mc7 s ASN 58 CO 0.42 -0.23 3.12 0.49 -2.57 0.00 0.00 177.10 178.33 1mc7 n PHE 59 N 4.24 1.37 -0.02 2.20 3.72 -1.15 -4.47 117.46 123.35 1mc7 n PHE 59 Ca 0.12 -2.26 -0.11 0.00 -0.05 0.00 0.00 57.45 55.15 1mc7 n PHE 59 Cb 0.48 -1.89 -0.09 0.00 -0.94 0.00 0.00 39.48 37.04 1mc7 n PHE 59 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1mc7 h GLU 60 N 3.85 -0.07 0.00 -1.08 5.08 -1.96 -3.11 114.58 117.29 1mc7 h GLU 60 Ca 0.51 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.88 1mc7 h GLU 60 Cb 0.84 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.10 1mc7 h GLU 60 CO 1.00 0.55 0.00 0.09 -1.00 0.00 0.00 179.01 179.65 1mc7 n ASN 61 N -4.77 0.16 0.00 1.42 4.13 -1.26 -3.69 115.26 111.25 1mc7 n ASN 61 Ca -0.08 0.55 0.00 0.00 1.68 0.00 0.00 54.58 56.73 1mc7 n ASN 61 Cb 0.32 -0.58 0.00 0.00 -1.54 0.00 0.00 39.78 37.98 1mc7 n ASN 61 CO 0.00 0.00 0.00 0.80 0.28 0.00 0.00 177.26 178.34 1mc7 n MET 62 N -1.69 0.00 -3.16 3.52 1.56 -1.18 -4.79 117.12 111.38 1mc7 n MET 62 Ca 0.02 0.00 -0.20 0.00 -0.27 0.00 0.00 57.70 57.24 1mc7 n MET 62 Cb 0.11 -0.48 -0.04 0.00 2.15 0.00 0.00 33.22 34.96 1mc7 n MET 62 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 1mc7 n SER 63 N -0.31 -0.55 0.14 6.12 2.88 -1.20 -4.75 113.62 115.94 1mc7 n SER 63 Ca 0.00 -0.64 -0.05 0.00 -1.33 0.00 0.00 58.87 56.84 1mc7 n SER 63 Cb 0.00 -0.82 -0.03 0.00 -0.75 0.00 0.00 64.21 62.62 1mc7 n SER 63 CO 0.00 0.00 0.00 -1.13 -1.23 0.00 0.00 175.04 172.68 1mc7 h ASN 64 N -0.44 -0.30 0.00 -3.46 -1.24 -1.91 -3.45 115.58 104.78 1mc7 h ASN 64 Ca -0.31 0.01 0.00 0.00 0.71 0.00 0.00 56.30 56.71 1mc7 h ASN 64 Cb 0.71 0.08 0.00 0.00 0.73 0.00 0.00 38.32 39.84 1mc7 h ASN 64 CO 0.43 -0.16 0.00 -0.67 -1.29 0.00 0.00 177.43 175.74 1mc7 n ASP 65 N -3.27 0.00 -2.47 1.15 -0.08 -1.26 -4.97 116.55 105.64 1mc7 n ASP 65 Ca -0.04 0.00 -0.19 0.00 -1.51 0.00 0.00 54.79 53.05 1mc7 n ASP 65 Cb 0.14 0.00 0.02 0.00 2.34 0.00 0.00 41.12 43.62 1mc7 n ASP 65 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 1mc7 n ASP 66 N 0.00 3.57 0.31 1.67 5.68 -1.26 -4.66 116.55 121.86 1mc7 n ASP 66 Ca 0.00 -3.27 0.15 0.00 -0.50 0.00 0.00 54.79 51.16 1mc7 n ASP 66 Cb 0.00 -0.46 0.80 0.00 -1.14 0.00 0.00 41.12 40.32 1mc7 n ASP 66 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1mc7 h ALA 67 N 2.61 1.26 -0.94 2.12 0.00 -1.97 0.34 119.26 122.68 1mc7 h ALA 67 Ca 0.16 0.00 0.18 0.00 0.00 0.00 0.00 54.91 55.25 1mc7 h ALA 67 Cb 1.15 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.84 1mc7 h ALA 67 CO 0.67 -0.26 0.53 0.28 0.00 0.00 0.00 179.25 180.46 1mc7 h VAL 68 N 0.00 0.69 -0.78 0.00 2.07 -1.96 0.46 116.25 116.73 1mc7 h VAL 68 Ca 0.00 -0.23 0.22 0.00 0.82 0.00 0.00 66.70 67.51 1mc7 h VAL 68 Cb 0.55 -0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.24 1mc7 h VAL 68 CO 0.00 0.12 1.00 -0.09 0.02 0.00 0.00 177.57 178.62 1mc7 h ARG 69 N 0.68 0.00 0.00 1.57 2.43 -1.35 1.10 114.38 118.82 1mc7 h ARG 69 Ca 0.54 0.00 -0.31 0.00 -0.81 0.00 0.00 59.98 59.40 1mc7 h ARG 69 Cb 0.83 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.33 1mc7 h ARG 69 CO -0.39 0.00 -2.04 1.55 -1.51 0.00 0.00 179.97 177.58 1mc7 n VAL 70 N -3.28 1.02 -0.32 0.20 3.14 0.14 -4.33 118.33 114.90 1mc7 n VAL 70 Ca 0.17 -0.27 0.12 0.00 -2.96 0.00 0.00 64.34 61.40 1mc7 n VAL 70 Cb 1.24 -1.69 0.30 0.00 -1.06 0.00 0.00 33.84 32.64 1mc7 n VAL 70 CO 0.00 0.00 0.00 0.25 -6.46 0.00 0.00 176.83 170.62 1mc7 h LEU 71 N -0.60 0.56 -2.06 6.55 5.85 1.00 1.65 115.31 128.25 1mc7 h LEU 71 Ca -0.47 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.37 1mc7 h LEU 71 Cb 1.43 0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.50 1mc7 h LEU 71 CO -0.26 0.15 0.00 -0.09 -0.34 0.00 0.00 178.44 177.89 1mc7 h ARG 72 N 0.58 0.00 0.00 1.25 9.65 0.92 -0.21 114.38 126.58 1mc7 h ARG 72 Ca 0.55 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 59.41 1mc7 h ARG 72 Cb 0.94 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.52 1mc7 h ARG 72 CO -0.44 0.00 -0.13 1.05 2.80 0.00 0.00 179.97 183.26 1mc7 h GLU 73 N 0.00 0.00 0.00 0.20 4.11 0.23 -3.04 114.58 116.08 1mc7 h GLU 73 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1mc7 h GLU 73 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1mc7 h GLU 73 CO 0.00 0.13 0.00 -0.89 0.07 0.00 0.00 179.01 178.32 1mc7 n ILE 74 N -3.14 0.00 -0.33 -1.06 2.08 -0.09 -0.70 119.36 116.13 1mc7 n ILE 74 Ca 0.03 0.32 0.32 0.00 0.56 0.00 0.00 62.75 63.98 1mc7 n ILE 74 Cb 0.56 -1.15 0.59 0.00 -0.75 0.00 0.00 39.64 38.89 1mc7 n ILE 74 CO 0.00 0.00 0.00 1.33 0.56 0.00 0.00 176.55 178.44 1mc7 n VAL 75 N 0.00 -0.40 0.03 1.39 0.24 -1.25 -0.29 118.33 118.05 1mc7 n VAL 75 Ca 0.00 1.99 -0.04 0.00 -2.04 0.00 0.00 64.34 64.24 1mc7 n VAL 75 Cb 0.00 -3.23 -0.03 0.00 -1.47 0.00 0.00 33.84 29.11 1mc7 n VAL 75 CO 0.00 0.00 0.00 -1.28 -2.14 0.00 0.00 176.83 173.41 1mc7 h SER 76 N 0.00 -0.41 0.00 -1.34 0.87 -1.59 -3.39 113.55 107.69 1mc7 h SER 76 Ca 0.84 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 61.44 1mc7 h SER 76 Cb 2.27 0.15 0.00 0.00 -0.44 0.00 0.00 62.40 64.38 1mc7 h SER 76 CO -0.74 -0.15 0.00 0.00 -0.53 0.00 0.00 176.83 175.42 1mc7 n GLN 77 N -3.21 0.00 -0.22 2.24 6.02 0.60 -4.81 117.38 118.00 1mc7 n GLN 77 Ca -0.02 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 56.89 1mc7 n GLN 77 Cb 0.11 0.00 0.08 0.00 1.02 0.00 0.00 30.24 31.44 1mc7 n GLN 77 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1mc7 n THR 78 N 0.00 0.00 -1.36 5.09 -2.24 -1.22 -4.75 114.28 109.80 1mc7 n THR 78 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1mc7 n THR 78 Cb 0.00 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 67.98 1mc7 n THR 78 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mc7 n GLY 79 N -0.83 -4.27 3.79 3.38 0.00 -1.26 -3.83 105.19 102.17 1mc7 n GLY 79 Ca 0.04 -0.43 -0.35 0.00 0.00 0.00 0.00 46.02 45.28 1mc7 n GLY 79 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1mc7 s PRO 80 N -1.72 4.01 0.38 1.61 0.04 -1.26 -4.25 135.00 133.80 1mc7 s PRO 80 Ca 0.00 1.45 -0.25 0.00 0.04 0.00 0.00 61.00 62.24 1mc7 s PRO 80 Cb 0.00 -2.35 -0.09 0.00 0.04 0.00 0.00 34.50 32.10 1mc7 s PRO 80 CO 0.00 -0.27 1.10 0.42 0.04 0.00 0.00 177.00 178.29 1mc7 s ILE 81 N -1.79 3.49 0.00 0.56 1.01 -1.26 -4.40 121.20 118.81 1mc7 s ILE 81 Ca 0.62 1.23 0.00 0.00 0.00 0.00 0.00 60.65 62.50 1mc7 s ILE 81 Cb -0.20 -3.68 0.00 0.00 0.01 0.00 0.00 42.46 38.59 1mc7 s ILE 81 CO 0.24 0.09 0.00 -0.24 0.00 0.00 0.00 174.94 175.04 1mc7 n SER 82 N 0.18 0.00 -3.73 3.58 2.88 -1.26 -4.72 113.62 110.55 1mc7 n SER 82 Ca 0.04 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.22 1mc7 n SER 82 Cb 0.48 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.94 1mc7 n SER 82 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1mc7 n LEU 83 N 0.00 -2.54 -3.93 2.46 4.32 -1.26 -0.21 117.00 115.84 1mc7 n LEU 83 Ca 0.00 0.70 -0.10 0.00 -0.02 0.00 0.00 56.01 56.59 1mc7 n LEU 83 Cb 0.00 -0.76 -0.12 0.00 -1.62 0.00 0.00 43.42 40.92 1mc7 n LEU 83 CO 0.00 -3.68 -0.33 -0.89 -1.22 0.00 0.00 177.39 171.28 1mc7 s THR 84 N -1.47 0.07 0.08 -5.08 2.01 0.74 -4.01 115.64 107.98 1mc7 s THR 84 Ca 0.51 -0.60 0.03 0.00 0.31 0.00 0.00 61.69 61.94 1mc7 s THR 84 Cb -0.55 -0.22 -0.03 0.00 0.01 0.00 0.00 72.50 71.71 1mc7 s THR 84 CO 0.55 -0.33 -0.10 0.68 -0.69 0.00 0.00 174.62 174.72 1mc7 s VAL 85 N -1.00 0.86 -0.52 3.82 -7.23 -1.26 -2.19 120.40 112.88 1mc7 s VAL 85 Ca -0.11 -1.46 -0.02 0.00 -1.81 0.00 0.00 61.98 58.58 1mc7 s VAL 85 Cb -0.07 -1.15 0.31 0.00 0.56 0.00 0.00 36.38 36.03 1mc7 s VAL 85 CO -0.00 -0.48 2.10 0.00 -0.31 0.00 0.00 175.10 176.41 1mc7 n ALA 86 N 0.87 5.88 -1.00 1.32 0.00 -1.07 -1.54 120.51 124.96 1mc7 n ALA 86 Ca -0.18 -2.75 0.12 0.00 0.00 0.00 0.00 53.44 50.63 1mc7 n ALA 86 Cb 0.56 -1.67 -0.04 0.00 0.00 0.00 0.00 19.45 18.31 1mc7 n ALA 86 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1mc7 n LYS 87 N -0.20 -1.88 -2.67 0.00 4.76 -1.25 -4.95 118.16 111.97 1mc7 n LYS 87 Ca 0.48 1.33 -0.02 0.00 -2.87 0.00 0.00 58.31 57.23 1mc7 n LYS 87 Cb 0.58 -2.37 0.03 0.00 -1.84 0.00 0.00 35.03 31.43 1mc7 n LYS 87 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1mc7 s ALA 88 N -2.51 -4.75 0.00 7.82 0.00 -1.26 -4.61 121.76 116.45 1mc7 s ALA 88 Ca 0.00 0.86 0.00 0.00 0.00 0.00 0.00 51.96 52.82 1mc7 s ALA 88 Cb 0.00 -3.02 0.00 0.00 0.00 0.00 0.00 23.12 20.10 1mc7 s ALA 88 CO 0.00 -2.56 0.00 1.87 0.00 0.00 0.00 175.76 175.07 1mc7 n TRP 89 N 2.78 0.00 -1.66 0.00 -0.00 -1.26 -4.90 117.44 112.40 1mc7 n TRP 89 Ca 0.09 0.00 -0.46 0.00 -0.00 0.00 0.00 57.50 57.13 1mc7 n TRP 89 Cb 0.65 -0.37 -0.04 0.00 -0.00 0.00 0.00 31.31 31.55 1mc7 n TRP 89 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 177.69 174.22 1mc7 n ASP 90 N -0.90 2.91 -2.92 5.87 4.64 -1.26 -4.97 116.55 119.93 1mc7 n ASP 90 Ca 0.00 1.10 0.00 0.00 -1.38 0.00 0.00 54.79 54.51 1mc7 n ASP 90 Cb 0.00 -1.41 0.00 0.00 -1.04 0.00 0.00 41.12 38.67 1mc7 n ASP 90 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 1mc7 n PRO 91 N 3.06 0.51 -3.05 -0.67 -0.04 -1.26 -5.07 135.00 128.48 1mc7 n PRO 91 Ca 0.16 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.45 1mc7 n PRO 91 Cb 0.29 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.71 1mc7 n PRO 91 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1mc7 n THR 92 N -0.91 -0.53 -1.34 0.52 -1.04 -1.26 -5.14 114.28 104.58 1mc7 n THR 92 Ca 0.00 -2.61 -0.23 0.00 -2.04 0.00 0.00 64.05 59.17 1mc7 n THR 92 Cb 0.00 -0.42 0.18 0.00 -1.82 0.00 0.00 70.33 68.27 1mc7 n THR 92 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1mc7 n PRO 93 N 2.19 -1.85 -4.45 -2.82 -0.04 -1.26 -5.10 135.00 121.67 1mc7 n PRO 93 Ca 0.20 -1.51 -0.22 0.00 -0.04 0.00 0.00 63.50 61.94 1mc7 n PRO 93 Cb 0.55 -1.19 -0.10 0.00 -0.04 0.00 0.00 33.50 32.72 1mc7 n PRO 93 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1mc7 s ARG 94 N -5.13 1.67 0.00 0.54 1.70 -1.26 -5.34 118.95 111.12 1mc7 s ARG 94 Ca 0.58 -1.93 0.30 0.00 -0.47 0.00 0.00 55.73 54.21 1mc7 s ARG 94 Cb -0.03 -0.83 1.82 0.00 -0.57 0.00 0.00 34.95 35.33 1mc7 s ARG 94 CO 0.42 -0.21 2.15 0.43 -1.08 0.00 0.00 175.30 177.01