#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mc7 n VAL 2 N 0.00 0.55 -3.82 1.08 0.31 -1.26 -4.80 118.33 110.39 1mc7 n VAL 2 Ca 0.00 -0.10 -0.29 0.00 -0.01 0.00 0.00 64.34 63.94 1mc7 n VAL 2 Cb 0.00 -1.80 -0.16 0.00 -0.91 0.00 0.00 33.84 30.97 1mc7 n VAL 2 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1mc7 s THR 3 N 4.08 1.04 -1.04 2.52 2.01 -1.26 -4.26 115.64 118.74 1mc7 s THR 3 Ca 0.94 -1.07 -0.15 0.00 0.31 0.00 0.00 61.69 61.72 1mc7 s THR 3 Cb -0.74 -1.53 0.19 0.00 0.01 0.00 0.00 72.50 70.43 1mc7 s THR 3 CO 0.53 -0.30 1.16 -1.48 -0.69 0.00 0.00 174.62 173.85 1mc7 s LEU 4 N 1.59 5.58 1.40 4.42 2.34 -1.26 -5.02 118.68 127.73 1mc7 s LEU 4 Ca 0.00 -2.75 -0.22 0.00 0.06 0.00 0.00 54.13 51.22 1mc7 s LEU 4 Cb -0.18 -2.33 0.35 0.00 -0.56 0.00 0.00 46.19 43.47 1mc7 s LEU 4 CO -0.11 -0.73 0.80 0.59 -1.06 0.00 0.00 176.35 175.83 1mc7 n ASN 5 N 5.11 -3.95 -1.10 1.48 3.02 -1.26 -4.84 115.26 113.72 1mc7 n ASN 5 Ca 0.26 -0.78 0.00 0.00 -0.03 0.00 0.00 54.58 54.03 1mc7 n ASN 5 Cb 0.45 -0.98 0.00 0.00 -0.61 0.00 0.00 39.78 38.64 1mc7 n ASN 5 CO 0.00 0.00 0.00 0.80 -2.62 0.00 0.00 177.26 175.44 1mc7 n MET 6 N -5.16 -1.88 -1.62 3.52 1.56 -1.26 -5.01 117.12 107.27 1mc7 n MET 6 Ca 0.12 1.67 -0.00 0.00 -0.27 0.00 0.00 57.70 59.22 1mc7 n MET 6 Cb 0.56 -1.53 -0.00 0.00 2.15 0.00 0.00 33.22 34.39 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 0.64 -2.27 -3.06 2.12 1.02 -1.26 -4.97 120.64 112.86 1mc7 n GLU 7 Ca 0.00 1.93 -0.26 0.00 -0.02 0.00 0.00 57.16 58.81 1mc7 n GLU 7 Cb 0.00 -2.39 -0.05 0.00 -0.02 0.00 0.00 31.44 28.98 1mc7 n GLU 7 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 1mc7 n ARG 8 N 0.80 2.82 0.00 3.49 1.85 -1.26 -4.93 116.66 119.43 1mc7 n ARG 8 Ca -0.01 -4.64 0.00 0.00 -1.00 0.00 0.00 57.85 52.19 1mc7 n ARG 8 Cb 0.02 -2.16 0.00 0.00 -1.05 0.00 0.00 32.46 29.27 1mc7 n ARG 8 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 1mc7 n HIS 9 N 0.05 0.00 -3.60 2.89 8.25 -1.26 -4.82 115.22 116.73 1mc7 n HIS 9 Ca 0.30 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.78 1mc7 n HIS 9 Cb 0.42 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.53 1mc7 n HIS 9 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1mc7 s HIS 10 N 0.00 -0.03 1.28 4.41 2.46 -1.26 -5.17 115.29 116.98 1mc7 s HIS 10 Ca 0.00 -0.03 -0.19 0.00 0.47 0.00 0.00 55.06 55.31 1mc7 s HIS 10 Cb 0.00 0.53 0.30 0.00 -0.13 0.00 0.00 32.58 33.28 1mc7 s HIS 10 CO 0.00 -0.16 0.68 1.19 -2.47 0.00 0.00 174.74 173.98 1mc7 n PHE 11 N -0.43 -3.25 0.14 3.88 3.01 -1.26 -4.97 117.46 114.57 1mc7 n PHE 11 Ca -0.07 -0.49 0.00 0.00 1.01 0.00 0.00 57.45 57.89 1mc7 n PHE 11 Cb 0.62 -1.35 0.00 0.00 -0.01 0.00 0.00 39.48 38.74 1mc7 n PHE 11 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1mc7 n LEU 12 N -3.93 -2.32 -2.94 4.37 4.77 -1.26 -4.64 117.00 111.05 1mc7 n LEU 12 Ca 0.11 0.52 -0.11 0.00 -0.03 0.00 0.00 56.01 56.49 1mc7 n LEU 12 Cb 0.48 2.35 0.05 0.00 -2.33 0.00 0.00 43.42 43.97 1mc7 n LEU 12 CO 0.32 -0.08 0.06 0.61 -1.33 0.00 0.00 177.39 176.97 1mc7 n GLY 13 N -1.27 -0.85 3.66 -0.72 0.00 -1.26 -4.56 105.19 100.19 1mc7 n GLY 13 Ca 0.00 0.43 -0.30 0.00 0.00 0.00 0.00 46.02 46.16 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 -3.29 1.49 0.02 -0.61 -5.25 -1.26 -4.00 121.20 108.30 1mc7 s ILE 14 Ca 0.34 -2.00 -0.16 0.00 -0.99 0.00 0.00 60.65 57.84 1mc7 s ILE 14 Cb -0.04 -2.58 0.03 0.00 2.95 0.00 0.00 42.46 42.81 1mc7 s ILE 14 CO 0.62 0.00 0.34 -0.94 -1.79 0.00 0.00 174.94 173.17 1mc7 s SER 15 N -3.76 -0.20 0.44 4.36 1.04 -1.23 -5.03 113.70 109.31 1mc7 s SER 15 Ca 0.22 -0.02 0.07 0.00 0.48 0.00 0.00 55.95 56.69 1mc7 s SER 15 Cb 0.06 0.36 -0.04 0.00 0.10 0.00 0.00 66.02 66.50 1mc7 s SER 15 CO 0.11 -0.57 0.20 0.27 0.98 0.00 0.00 173.24 174.23 1mc7 s ILE 16 N -2.06 2.14 0.22 -1.02 -5.25 -1.26 0.21 121.20 114.17 1mc7 s ILE 16 Ca -0.08 -1.69 -0.23 0.00 -0.99 0.00 0.00 60.65 57.66 1mc7 s ILE 16 Cb -0.02 -2.83 0.04 0.00 2.95 0.00 0.00 42.46 42.60 1mc7 s ILE 16 CO 0.00 0.00 0.84 0.54 -1.79 0.00 0.00 174.94 174.53 1mc7 s VAL 17 N -2.64 0.00 0.00 8.37 0.11 -0.51 -4.25 120.40 121.48 1mc7 s VAL 17 Ca 0.37 -0.84 0.00 0.00 -2.93 0.00 0.00 61.98 58.59 1mc7 s VAL 17 Cb 0.03 -2.02 0.00 0.00 -1.53 0.00 0.00 36.38 32.86 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 -0.47 5.48 0.00 6.54 0.00 -1.26 -1.27 105.19 114.22 1mc7 n GLY 18 Ca -0.05 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.60 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 -1.47 1.61 0.00 -1.26 -4.95 117.38 111.31 1mc7 n GLN 19 Ca 0.00 0.00 0.19 0.00 -0.00 0.00 0.00 57.00 57.19 1mc7 n GLN 19 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 30.24 30.16 1mc7 n GLN 19 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 1mc7 n SER 20 N 0.00 -8.61 0.00 1.69 7.64 -1.26 -4.72 113.62 108.36 1mc7 n SER 20 Ca 0.00 1.17 0.00 0.00 1.01 0.00 0.00 58.87 61.05 1mc7 n SER 20 Cb 0.00 -4.84 0.00 0.00 -1.01 0.00 0.00 64.21 58.36 1mc7 n SER 20 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1mc7 n ASN 21 N -4.36 0.00 -4.33 6.43 2.85 -1.26 -4.90 115.26 109.69 1mc7 n ASN 21 Ca -0.06 0.00 -0.55 0.00 -0.11 0.00 0.00 54.58 53.87 1mc7 n ASN 21 Cb 0.69 0.00 -0.12 0.00 1.24 0.00 0.00 39.78 41.59 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 3.54 0.74 -4.55 1.20 2.03 -1.26 -4.73 116.55 113.51 1mc7 n ASP 22 Ca 0.00 0.53 -0.47 0.00 0.52 0.00 0.00 54.79 55.36 1mc7 n ASP 22 Cb 0.00 -0.94 -0.03 0.00 -0.72 0.00 0.00 41.12 39.43 1mc7 n ASP 22 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1mc7 n ARG 23 N 7.80 1.03 -3.58 -0.67 1.74 -1.26 -2.50 116.66 119.22 1mc7 n ARG 23 Ca 0.57 0.36 -0.22 0.00 -0.77 0.00 0.00 57.85 57.79 1mc7 n ARG 23 Cb 0.00 -1.74 0.00 0.00 -1.02 0.00 0.00 32.46 29.70 1mc7 n ARG 23 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1mc7 n GLY 24 N 1.70 -1.05 0.00 -0.13 0.00 -1.26 -4.91 105.19 99.54 1mc7 n GLY 24 Ca 0.14 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.69 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 -2.04 0.00 0.00 1.61 -0.08 -1.04 -5.18 116.55 109.82 1mc7 n ASP 25 Ca -0.27 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.01 1mc7 n ASP 25 Cb 0.59 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.05 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 5.65 2.33 0.27 0.00 -1.26 -4.46 105.19 107.73 1mc7 n GLY 26 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.06 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 0.34 -5.69 3.49 -0.02 0.00 -1.26 -4.80 105.19 97.25 1mc7 n GLY 27 Ca 0.00 0.06 -0.48 0.00 0.00 0.00 0.00 46.02 45.60 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 1.88 1.71 -4.47 -0.61 2.08 -1.26 -4.95 119.36 113.73 1mc7 n ILE 28 Ca 0.00 -0.43 -0.21 0.00 0.56 0.00 0.00 62.75 62.68 1mc7 n ILE 28 Cb 0.00 -0.42 -0.14 0.00 -0.75 0.00 0.00 39.64 38.33 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 -0.84 1.20 -0.05 1.39 1.13 -0.39 -4.24 117.35 115.55 1mc7 s TYR 29 Ca 0.65 -0.29 -0.39 0.00 -1.41 0.00 0.00 57.07 55.64 1mc7 s TYR 29 Cb -0.87 -0.74 -0.17 0.00 -1.10 0.00 0.00 41.96 39.07 1mc7 s TYR 29 CO 0.57 0.01 1.43 1.51 -2.51 0.00 0.00 175.55 176.56 1mc7 n ILE 30 N 2.32 0.08 -0.25 -3.49 0.13 -0.99 -1.42 119.36 115.74 1mc7 n ILE 30 Ca -0.16 -0.02 -0.07 0.00 -1.10 0.00 0.00 62.75 61.40 1mc7 n ILE 30 Cb 0.55 -0.82 0.05 0.00 -0.84 0.00 0.00 39.64 38.58 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 5.12 1.18 -3.65 4.50 0.00 0.22 -3.35 103.07 107.09 1mc7 h GLY 31 Ca -0.48 -0.70 0.35 0.00 0.00 0.00 0.00 47.33 46.51 1mc7 h GLY 31 CO 0.82 0.66 0.99 -1.35 0.00 0.00 0.00 176.54 177.66 1mc7 s SER 32 N -6.36 -0.01 -0.12 0.19 1.04 -1.24 -4.65 113.70 102.56 1mc7 s SER 32 Ca -0.12 -0.00 -0.00 0.00 0.48 0.00 0.00 55.95 56.30 1mc7 s SER 32 Cb 0.14 0.01 0.02 0.00 0.10 0.00 0.00 66.02 66.30 1mc7 s SER 32 CO 0.83 -0.02 -0.09 -0.63 0.98 0.00 0.00 173.24 174.32 1mc7 s ILE 33 N -2.03 1.14 -0.95 -1.02 1.09 -1.26 -3.57 121.20 114.60 1mc7 s ILE 33 Ca 0.13 -0.37 -0.26 0.00 -1.10 0.00 0.00 60.65 59.05 1mc7 s ILE 33 Cb 0.02 -1.12 -0.16 0.00 -1.06 0.00 0.00 42.46 40.14 1mc7 s ILE 33 CO -0.04 0.38 2.21 -0.04 -0.10 0.00 0.00 174.94 177.36 1mc7 s MET 34 N 1.57 1.61 -0.59 2.79 -1.94 -1.26 -4.81 119.30 116.68 1mc7 s MET 34 Ca 0.03 -0.08 -0.39 0.00 -1.71 0.00 0.00 55.69 53.54 1mc7 s MET 34 Cb -0.13 -4.93 -0.19 0.00 2.01 0.00 0.00 34.83 31.60 1mc7 s MET 34 CO -0.08 -4.71 2.15 1.17 -0.01 0.00 0.00 175.02 173.54 1mc7 n LYS 35 N 8.53 0.00 0.00 2.03 4.81 -1.26 -3.87 118.16 128.41 1mc7 n LYS 35 Ca 0.44 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.88 1mc7 n LYS 35 Cb 0.45 -1.42 0.00 0.00 0.02 0.00 0.00 35.03 34.08 1mc7 n LYS 35 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1mc7 n GLY 36 N 6.88 0.85 0.00 3.14 0.00 -1.26 -4.94 105.19 109.86 1mc7 n GLY 36 Ca 0.55 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 0.00 0.59 0.00 -0.02 0.00 -1.25 -4.79 105.19 99.73 1mc7 n GLY 37 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.36 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 0.22 4.61 0.00 -1.26 -3.36 120.51 117.72 1mc7 n ALA 38 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 1mc7 n ALA 38 Cb 0.00 0.00 0.31 0.00 0.00 0.00 0.00 19.45 19.76 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 0.28 -0.41 0.00 2.07 -1.89 -3.05 116.25 113.25 1mc7 h VAL 39 Ca 0.00 -1.16 -0.02 0.00 0.82 0.00 0.00 66.70 66.34 1mc7 h VAL 39 Cb 0.00 1.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.68 1mc7 h VAL 39 CO 0.00 0.14 0.17 0.00 0.02 0.00 0.00 177.57 177.90 1mc7 h ALA 40 N 1.86 0.53 0.00 1.67 0.00 -1.84 -1.62 119.26 119.86 1mc7 h ALA 40 Ca -0.00 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1mc7 h ALA 40 Cb 0.92 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1mc7 h ALA 40 CO 0.02 0.13 -0.19 0.00 0.00 0.00 0.00 179.25 179.21 1mc7 h ALA 41 N 1.02 1.06 -0.85 0.00 0.00 -1.55 -2.86 119.26 116.08 1mc7 h ALA 41 Ca 0.14 -0.17 0.15 0.00 0.00 0.00 0.00 54.91 55.03 1mc7 h ALA 41 Cb 0.18 -0.03 -0.10 0.00 0.00 0.00 0.00 17.79 17.84 1mc7 h ALA 41 CO -0.01 0.24 0.43 0.22 0.00 0.00 0.00 179.25 180.13 1mc7 h ASP 42 N 0.00 0.51 0.00 0.00 3.58 -1.18 -3.47 116.42 115.86 1mc7 h ASP 42 Ca -0.00 0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.55 1mc7 h ASP 42 Cb 0.65 0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.72 1mc7 h ASP 42 CO 0.02 0.20 0.00 0.61 -2.88 0.00 0.00 179.24 177.20 1mc7 n GLY 43 N -1.33 1.38 2.74 -0.78 0.00 -1.08 -5.03 105.19 101.09 1mc7 n GLY 43 Ca 0.17 0.11 -0.29 0.00 0.00 0.00 0.00 46.02 46.01 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 0.00 3.46 -0.96 1.61 5.12 -1.26 -4.79 116.66 119.84 1mc7 n ARG 44 Ca 0.00 -4.63 -0.36 0.00 -1.93 0.00 0.00 57.85 50.92 1mc7 n ARG 44 Cb 0.00 -2.26 0.05 0.00 -1.16 0.00 0.00 32.46 29.09 1mc7 n ARG 44 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 1mc7 n ILE 45 N -0.34 0.00 -4.31 0.55 2.08 -1.26 -5.00 119.36 111.08 1mc7 n ILE 45 Ca 0.37 -0.29 -0.16 0.00 0.56 0.00 0.00 62.75 63.23 1mc7 n ILE 45 Cb 0.47 -0.11 -0.10 0.00 -0.75 0.00 0.00 39.64 39.16 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 1.25 0.12 0.38 2.02 -1.26 -4.87 118.70 114.07 1mc7 s GLU 46 Ca 0.42 -1.60 -0.07 0.00 0.02 0.00 0.00 54.97 53.73 1mc7 s GLU 46 Cb -0.08 -0.63 -0.11 0.00 0.10 0.00 0.00 34.13 33.41 1mc7 s GLU 46 CO 0.75 -0.04 1.30 -1.00 0.02 0.00 0.00 175.26 176.29 1mc7 h PRO 47 N 2.57 0.54 -1.01 0.39 0.13 -1.83 -3.14 132.00 129.66 1mc7 h PRO 47 Ca -0.38 -0.53 -0.22 0.00 -0.87 0.00 0.00 66.00 64.00 1mc7 h PRO 47 Cb 1.21 0.14 -0.13 0.00 0.13 0.00 0.00 31.00 32.35 1mc7 h PRO 47 CO 0.64 1.16 0.28 0.41 -0.23 0.00 0.00 178.00 180.26 1mc7 n GLY 48 N 0.86 3.06 0.15 1.56 0.00 -1.26 -2.33 105.19 107.23 1mc7 n GLY 48 Ca -0.07 -0.46 0.03 0.00 0.00 0.00 0.00 46.02 45.51 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 0.44 0.00 -1.77 1.61 -0.00 -1.85 -3.42 116.42 111.43 1mc7 h ASP 49 Ca 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.30 1mc7 h ASP 49 Cb 1.76 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 41.09 1mc7 h ASP 49 CO 0.46 0.51 0.00 0.80 -0.00 0.00 0.00 179.24 181.01 1mc7 n MET 50 N -3.37 0.00 -3.05 0.28 1.56 -1.26 -4.11 117.12 107.18 1mc7 n MET 50 Ca 0.01 0.00 -0.44 0.00 -0.27 0.00 0.00 57.70 56.99 1mc7 n MET 50 Cb 0.66 -2.34 -0.01 0.00 2.15 0.00 0.00 33.22 33.68 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 -1.77 5.48 0.00 -0.89 1.98 -1.26 -2.96 118.68 119.26 1mc7 s LEU 51 Ca 0.00 -2.73 0.00 0.00 -2.89 0.00 0.00 54.13 48.51 1mc7 s LEU 51 Cb 0.00 -2.35 0.00 0.00 0.66 0.00 0.00 46.19 44.50 1mc7 s LEU 51 CO 0.00 -0.76 0.54 0.00 -1.89 0.00 0.00 176.35 174.24 1mc7 n LEU 52 N 5.28 0.94 -4.17 -0.68 -0.00 -1.23 -4.14 117.00 113.00 1mc7 n LEU 52 Ca 0.27 -0.94 -0.14 0.00 -0.00 0.00 0.00 56.01 55.21 1mc7 n LEU 52 Cb 0.45 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.76 1mc7 n LEU 52 CO 0.52 0.24 -0.41 0.00 -0.00 0.00 0.00 177.39 177.73 1mc7 s GLN 53 N -0.28 0.84 0.02 1.47 -2.07 -0.94 -3.65 119.66 115.05 1mc7 s GLN 53 Ca 0.00 -1.17 -0.00 0.00 -1.82 0.00 0.00 55.36 52.37 1mc7 s GLN 53 Cb 0.00 -0.49 -0.02 0.00 -1.09 0.00 0.00 33.01 31.41 1mc7 s GLN 53 CO 0.00 0.07 -0.03 0.08 -1.32 0.00 0.00 175.29 174.09 1mc7 s VAL 54 N -2.56 0.12 0.00 3.63 1.01 -0.99 0.25 120.40 121.86 1mc7 s VAL 54 Ca 0.06 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.06 1mc7 s VAL 54 Cb -0.02 -0.36 0.00 0.00 0.00 0.00 0.00 36.38 36.00 1mc7 s VAL 54 CO -0.00 -0.54 0.00 -3.20 0.00 0.00 0.00 175.10 171.36 1mc7 n ASN 55 N 1.49 0.00 0.00 3.32 5.15 0.78 0.17 115.26 126.17 1mc7 n ASN 55 Ca -0.23 0.00 0.10 0.00 -0.60 0.00 0.00 54.58 53.85 1mc7 n ASN 55 Cb 0.55 0.00 0.62 0.00 -0.53 0.00 0.00 39.78 40.42 1mc7 n ASN 55 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 1mc7 n ASP 56 N -1.76 0.00 -4.84 1.20 5.75 -1.26 -4.79 116.55 110.86 1mc7 n ASP 56 Ca 0.00 -1.26 -0.34 0.00 -0.01 0.00 0.00 54.79 53.18 1mc7 n ASP 56 Cb 0.00 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.03 1mc7 n ASP 56 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1mc7 s VAL 57 N -2.00 4.64 -0.38 2.12 1.01 0.44 -5.05 120.40 121.18 1mc7 s VAL 57 Ca 0.31 1.08 0.03 0.00 0.00 0.00 0.00 61.98 63.40 1mc7 s VAL 57 Cb 0.14 -3.71 0.16 0.00 0.00 0.00 0.00 36.38 32.97 1mc7 s VAL 57 CO 0.24 -0.03 0.38 0.54 0.00 0.00 0.00 175.10 176.23 1mc7 s ASN 58 N -2.02 1.21 0.00 3.32 4.22 -1.26 -2.36 114.94 118.05 1mc7 s ASN 58 Ca 0.50 -1.78 -0.06 0.00 -2.14 0.00 0.00 52.86 49.38 1mc7 s ASN 58 Cb -0.13 0.46 -0.26 0.00 1.28 0.00 0.00 41.25 42.61 1mc7 s ASN 58 CO 0.19 -0.24 3.54 0.49 -2.04 0.00 0.00 177.10 179.04 1mc7 n PHE 59 N 4.03 0.00 0.06 1.54 3.72 -1.24 -4.53 117.46 121.04 1mc7 n PHE 59 Ca 0.13 -1.46 -0.03 0.00 -0.05 0.00 0.00 57.45 56.05 1mc7 n PHE 59 Cb 0.45 -1.56 -0.01 0.00 -0.94 0.00 0.00 39.48 37.42 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 3.03 -0.16 -0.75 -1.08 4.39 -1.95 -2.82 114.58 115.24 1mc7 h GLU 60 Ca 0.18 0.01 0.22 0.00 0.34 0.00 0.00 59.36 60.11 1mc7 h GLU 60 Cb 1.48 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 30.14 1mc7 h GLU 60 CO 0.23 -0.11 0.83 -0.91 -1.16 0.00 0.00 179.01 177.90 1mc7 h ASN 61 N -0.21 0.00 0.00 1.42 2.35 -2.00 -2.14 115.58 115.00 1mc7 h ASN 61 Ca -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1mc7 h ASN 61 Cb 0.13 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.50 1mc7 h ASN 61 CO 0.03 0.00 0.00 0.80 -1.65 0.00 0.00 177.43 176.61 1mc7 n MET 62 N -3.50 0.00 -3.52 0.81 1.56 -1.08 -4.79 117.12 106.61 1mc7 n MET 62 Ca 0.16 0.22 -0.18 0.00 -0.27 0.00 0.00 57.70 57.64 1mc7 n MET 62 Cb 1.08 -1.19 -0.05 0.00 2.15 0.00 0.00 33.22 35.22 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 -1.11 0.18 -1.41 6.12 2.88 -0.81 -4.69 113.62 114.78 1mc7 n SER 63 Ca 0.00 -0.68 -0.02 0.00 -1.33 0.00 0.00 58.87 56.84 1mc7 n SER 63 Cb 0.00 -0.84 0.19 0.00 -0.75 0.00 0.00 64.21 62.80 1mc7 n SER 63 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1mc7 n ASN 64 N -1.31 3.57 -2.15 -3.46 2.85 -1.26 -4.84 115.26 108.67 1mc7 n ASN 64 Ca -0.16 -2.64 -0.03 0.00 -0.11 0.00 0.00 54.58 51.64 1mc7 n ASN 64 Cb 0.36 -0.63 -0.00 0.00 1.24 0.00 0.00 39.78 40.75 1mc7 n ASN 64 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 1mc7 n ASP 65 N 0.11 -1.50 -0.87 1.20 9.92 -1.26 -4.45 116.55 119.70 1mc7 n ASP 65 Ca 0.21 0.34 -0.05 0.00 -0.53 0.00 0.00 54.79 54.76 1mc7 n ASP 65 Cb 0.90 -1.47 -0.05 0.00 -0.64 0.00 0.00 41.12 39.86 1mc7 n ASP 65 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1mc7 n ASP 66 N -1.04 -0.74 0.22 -2.24 9.92 -1.26 -4.83 116.55 116.58 1mc7 n ASP 66 Ca -0.03 -1.49 0.14 0.00 -0.53 0.00 0.00 54.79 52.87 1mc7 n ASP 66 Cb 0.42 0.22 0.74 0.00 -0.64 0.00 0.00 41.12 41.86 1mc7 n ASP 66 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1mc7 h ALA 67 N 0.00 1.05 -0.72 2.24 0.00 -1.96 -0.82 119.26 119.05 1mc7 h ALA 67 Ca -0.42 0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.56 1mc7 h ALA 67 Cb 1.18 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.91 1mc7 h ALA 67 CO -0.21 -0.05 0.41 0.28 0.00 0.00 0.00 179.25 179.67 1mc7 h VAL 68 N 0.00 0.95 -1.05 0.00 2.07 -1.95 0.53 116.25 116.80 1mc7 h VAL 68 Ca 0.00 -0.25 0.30 0.00 0.82 0.00 0.00 66.70 67.58 1mc7 h VAL 68 Cb 0.13 0.16 -0.04 0.00 -1.52 0.00 0.00 31.29 30.02 1mc7 h VAL 68 CO 0.00 0.13 1.11 -0.09 0.02 0.00 0.00 177.57 178.75 1mc7 h ARG 69 N 0.73 0.00 0.00 1.57 2.43 -1.57 1.28 114.38 118.82 1mc7 h ARG 69 Ca 0.33 0.00 -0.23 0.00 -0.81 0.00 0.00 59.98 59.27 1mc7 h ARG 69 Cb 0.24 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.75 1mc7 h ARG 69 CO -0.20 0.00 -1.83 0.28 -1.51 0.00 0.00 179.97 176.70 1mc7 n VAL 70 N -3.42 0.83 -0.33 0.20 0.31 0.09 -4.34 118.33 111.66 1mc7 n VAL 70 Ca 0.23 -0.28 0.10 0.00 -0.01 0.00 0.00 64.34 64.39 1mc7 n VAL 70 Cb 1.44 -1.27 0.31 0.00 -0.91 0.00 0.00 33.84 33.40 1mc7 n VAL 70 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1mc7 h LEU 71 N -0.21 0.81 -0.98 7.52 5.85 0.27 1.00 115.31 129.57 1mc7 h LEU 71 Ca -0.35 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.43 1mc7 h LEU 71 Cb 1.44 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.37 1mc7 h LEU 71 CO -0.12 0.38 0.00 -0.09 -0.34 0.00 0.00 178.44 178.28 1mc7 h ARG 72 N 0.84 0.00 0.00 1.25 2.43 0.13 -1.75 114.38 117.27 1mc7 h ARG 72 Ca 0.51 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.68 1mc7 h ARG 72 Cb 0.68 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.23 1mc7 h ARG 72 CO -0.28 0.00 -0.28 1.05 -1.51 0.00 0.00 179.97 178.95 1mc7 h GLU 73 N 0.00 0.00 0.00 0.20 4.11 0.88 -3.22 114.58 116.54 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 0.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1mc7 h GLU 73 CO 0.00 0.00 0.00 -0.89 0.07 0.00 0.00 179.01 178.19 1mc7 n ILE 74 N -2.98 0.00 -0.35 -1.06 2.08 -0.66 -0.89 119.36 115.51 1mc7 n ILE 74 Ca 0.03 0.39 0.31 0.00 0.56 0.00 0.00 62.75 64.04 1mc7 n ILE 74 Cb 0.54 -1.15 0.54 0.00 -0.75 0.00 0.00 39.64 38.82 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 -0.02 -0.27 0.18 1.39 0.24 -1.25 0.73 118.33 119.32 1mc7 n VAL 75 Ca 0.00 1.61 -0.11 0.00 -2.04 0.00 0.00 64.34 63.80 1mc7 n VAL 75 Cb 0.00 -2.63 -0.06 0.00 -1.47 0.00 0.00 33.84 29.68 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 -0.85 0.00 -1.34 0.87 -1.59 -3.44 113.55 107.20 1mc7 h SER 76 Ca 0.74 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 61.37 1mc7 h SER 76 Cb 2.21 0.28 0.00 0.00 -0.44 0.00 0.00 62.40 64.45 1mc7 h SER 76 CO -0.50 -0.41 0.00 0.00 -0.53 0.00 0.00 176.83 175.39 1mc7 n GLN 77 N -4.25 0.10 -1.00 2.24 6.02 0.22 -5.09 117.38 115.63 1mc7 n GLN 77 Ca -0.07 0.00 -0.36 0.00 -0.01 0.00 0.00 57.00 56.56 1mc7 n GLN 77 Cb 0.28 0.00 0.04 0.00 1.02 0.00 0.00 30.24 31.58 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 0.00 5.09 -2.24 -1.26 -4.63 114.28 111.25 1mc7 n THR 78 Ca 0.00 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.29 1mc7 n THR 78 Cb 0.00 -0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 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 3.49 1.37 3.78 3.38 0.00 -1.26 -3.85 105.19 112.10 1mc7 n GLY 79 Ca -0.02 -1.12 -0.37 0.00 0.00 0.00 0.00 46.02 44.51 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 -2.57 4.19 0.29 1.61 0.04 -1.26 -4.54 135.00 132.77 1mc7 s PRO 80 Ca 0.00 1.54 -0.23 0.00 0.04 0.00 0.00 61.00 62.36 1mc7 s PRO 80 Cb 0.00 -2.59 -0.09 0.00 0.04 0.00 0.00 34.50 31.86 1mc7 s PRO 80 CO 0.00 -0.12 0.85 0.42 0.04 0.00 0.00 177.00 178.19 1mc7 s ILE 81 N -1.61 4.39 0.00 0.56 1.01 -1.26 -4.45 121.20 119.83 1mc7 s ILE 81 Ca 0.57 1.54 0.00 0.00 0.00 0.00 0.00 60.65 62.76 1mc7 s ILE 81 Cb -0.23 -3.90 0.00 0.00 0.01 0.00 0.00 42.46 38.34 1mc7 s ILE 81 CO 0.29 0.11 0.00 -0.24 0.00 0.00 0.00 174.94 175.10 1mc7 n SER 82 N 0.48 0.00 -1.85 3.58 2.88 -1.26 -4.69 113.62 112.75 1mc7 n SER 82 Ca 0.01 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.34 1mc7 n SER 82 Cb 0.51 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.96 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 -0.51 -4.01 2.46 4.32 -1.26 -0.16 117.00 117.84 1mc7 n LEU 83 Ca 0.00 0.48 -0.17 0.00 -0.02 0.00 0.00 56.01 56.30 1mc7 n LEU 83 Cb 0.00 -0.40 -0.14 0.00 -1.62 0.00 0.00 43.42 41.26 1mc7 n LEU 83 CO 0.00 -1.25 -0.42 -0.89 -1.22 0.00 0.00 177.39 173.61 1mc7 s THR 84 N -0.41 0.60 0.08 -5.08 2.01 0.71 -4.14 115.64 109.40 1mc7 s THR 84 Ca 0.27 -0.43 0.03 0.00 0.31 0.00 0.00 61.69 61.87 1mc7 s THR 84 Cb -0.40 -0.52 -0.03 0.00 0.01 0.00 0.00 72.50 71.56 1mc7 s THR 84 CO 0.24 0.09 -0.09 0.68 -0.69 0.00 0.00 174.62 174.85 1mc7 s VAL 85 N -0.33 0.80 -0.46 3.82 -7.23 -1.26 -2.22 120.40 113.52 1mc7 s VAL 85 Ca 0.01 -1.52 -0.01 0.00 -1.81 0.00 0.00 61.98 58.65 1mc7 s VAL 85 Cb -0.04 -1.20 0.32 0.00 0.56 0.00 0.00 36.38 36.02 1mc7 s VAL 85 CO -0.00 -0.54 2.02 0.00 -0.31 0.00 0.00 175.10 176.27 1mc7 n ALA 86 N 0.74 5.62 -1.22 1.32 0.00 -1.16 -1.57 120.51 124.24 1mc7 n ALA 86 Ca -0.17 -2.42 0.14 0.00 0.00 0.00 0.00 53.44 50.99 1mc7 n ALA 86 Cb 0.57 -1.54 -0.05 0.00 0.00 0.00 0.00 19.45 18.43 1mc7 n ALA 86 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1mc7 n LYS 87 N -0.19 -2.39 0.00 0.00 3.00 -1.26 -4.97 118.16 112.35 1mc7 n LYS 87 Ca 0.44 1.77 0.00 0.00 -0.00 0.00 0.00 58.31 60.51 1mc7 n LYS 87 Cb 0.63 -2.97 0.00 0.00 0.00 0.00 0.00 35.03 32.68 1mc7 n LYS 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1mc7 n ALA 88 N -2.89 0.00 -0.98 3.14 0.00 -1.26 -4.67 120.51 113.85 1mc7 n ALA 88 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1mc7 n ALA 88 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.09 1mc7 n ALA 88 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 1mc7 n TRP 89 N 0.00 0.00 -2.69 0.00 -0.00 -1.26 -4.86 117.44 108.62 1mc7 n TRP 89 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 57.50 57.07 1mc7 n TRP 89 Cb 0.00 -0.98 -0.02 0.00 -0.00 0.00 0.00 31.31 30.30 1mc7 n TRP 89 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 177.69 178.03 1mc7 s ASP 90 N -1.83 6.88 -0.50 5.87 2.15 -1.26 -4.98 116.67 123.01 1mc7 s ASP 90 Ca 0.00 0.98 -0.28 0.00 0.43 0.00 0.00 52.55 53.67 1mc7 s ASP 90 Cb 0.00 -2.52 0.01 0.00 -0.30 0.00 0.00 42.92 40.11 1mc7 s ASP 90 CO 0.00 -0.84 1.46 -2.16 -0.17 0.00 0.00 175.17 173.46 1mc7 s PRO 91 N 3.54 3.36 -0.49 4.34 0.04 -1.26 -4.90 135.00 139.63 1mc7 s PRO 91 Ca 0.43 0.69 -0.44 0.00 0.04 0.00 0.00 61.00 61.72 1mc7 s PRO 91 Cb -0.12 -4.11 -0.18 0.00 0.04 0.00 0.00 34.50 30.12 1mc7 s PRO 91 CO 0.15 -1.85 2.11 -2.37 0.04 0.00 0.00 177.00 175.08 1mc7 n THR 92 N 6.99 0.02 -1.22 1.26 5.66 -1.26 -4.89 114.28 120.84 1mc7 n THR 92 Ca 0.15 -0.02 -0.19 0.00 -3.05 0.00 0.00 64.05 60.94 1mc7 n THR 92 Cb 0.49 -0.59 0.14 0.00 -1.55 0.00 0.00 70.33 68.83 1mc7 n THR 92 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 1mc7 n PRO 93 N 7.32 -1.59 -4.56 1.09 -0.04 -1.26 -5.10 135.00 130.86 1mc7 n PRO 93 Ca 0.52 -1.21 -0.28 0.00 -0.04 0.00 0.00 63.50 62.50 1mc7 n PRO 93 Cb -0.02 -0.95 -0.10 0.00 -0.04 0.00 0.00 33.50 32.39 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 -4.71 2.02 0.00 0.54 1.70 -1.26 -5.31 118.95 111.93 1mc7 s ARG 94 Ca 0.46 -2.10 0.00 0.00 -0.47 0.00 0.00 55.73 53.62 1mc7 s ARG 94 Cb -0.03 -1.68 0.00 0.00 -0.57 0.00 0.00 34.95 32.67 1mc7 s ARG 94 CO 0.34 -0.10 0.00 0.45 -1.08 0.00 0.00 175.30 174.91