#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 0.10 -0.46 1.08 1.01 -1.23 -4.86 120.40 116.03 1mc7 s VAL 2 Ca 0.00 -0.79 -0.02 0.00 0.00 0.00 0.00 61.98 61.17 1mc7 s VAL 2 Cb 0.00 -0.50 0.12 0.00 0.00 0.00 0.00 36.38 36.01 1mc7 s VAL 2 CO 0.00 -0.44 0.25 -0.89 0.00 0.00 0.00 175.10 174.02 1mc7 s THR 3 N -1.63 3.22 1.38 3.92 2.01 -1.26 -4.10 115.64 119.19 1mc7 s THR 3 Ca -0.13 -2.41 -0.23 0.00 0.31 0.00 0.00 61.69 59.23 1mc7 s THR 3 Cb -0.07 -3.20 0.35 0.00 0.01 0.00 0.00 72.50 69.60 1mc7 s THR 3 CO 0.00 -0.74 0.98 -0.76 -0.69 0.00 0.00 174.62 173.41 1mc7 s LEU 4 N 0.70 -0.72 -0.27 4.42 1.43 -1.26 -5.03 118.68 117.95 1mc7 s LEU 4 Ca 0.11 0.72 -0.03 0.00 -1.03 0.00 0.00 54.13 53.91 1mc7 s LEU 4 Cb -0.22 -2.19 0.09 0.00 0.03 0.00 0.00 46.19 43.90 1mc7 s LEU 4 CO -0.04 -5.12 0.10 0.21 0.23 0.00 0.00 176.35 171.72 1mc7 s ASN 5 N -3.44 3.52 -0.29 2.29 2.47 -1.26 -4.98 114.94 113.25 1mc7 s ASN 5 Ca 0.70 -1.28 -0.39 0.00 0.42 0.00 0.00 52.86 52.31 1mc7 s ASN 5 Cb -0.11 -0.58 0.16 0.00 -1.45 0.00 0.00 41.25 39.27 1mc7 s ASN 5 CO 0.57 -0.40 1.38 -0.04 -3.72 0.00 0.00 177.10 174.89 1mc7 s MET 6 N 1.88 0.03 1.10 0.43 -1.94 -1.26 -5.15 119.30 114.38 1mc7 s MET 6 Ca 0.07 -0.01 -0.18 0.00 -1.71 0.00 0.00 55.69 53.86 1mc7 s MET 6 Cb -0.17 0.01 0.25 0.00 2.01 0.00 0.00 34.83 36.93 1mc7 s MET 6 CO -0.25 -0.01 1.20 -1.21 -0.01 0.00 0.00 175.02 174.74 1mc7 s GLU 7 N -2.04 -0.43 0.14 2.03 0.41 -1.26 -4.94 118.70 112.62 1mc7 s GLU 7 Ca 0.12 -0.21 -0.30 0.00 -0.41 0.00 0.00 54.97 54.17 1mc7 s GLU 7 Cb -0.01 -1.70 -0.08 0.00 -1.78 0.00 0.00 34.13 30.55 1mc7 s GLU 7 CO -0.02 -3.16 1.51 -0.09 -0.49 0.00 0.00 175.26 173.01 1mc7 h ARG 8 N -2.18 -0.18 -2.56 1.61 2.43 -1.99 -3.47 114.38 108.04 1mc7 h ARG 8 Ca -0.45 0.01 0.29 0.00 -0.81 0.00 0.00 59.98 59.03 1mc7 h ARG 8 Cb 1.27 0.04 -0.09 0.00 -0.42 0.00 0.00 29.97 30.77 1mc7 h ARG 8 CO 0.36 -0.12 -0.49 0.72 -1.51 0.00 0.00 179.97 178.93 1mc7 n HIS 9 N -5.16 -2.79 0.08 2.20 8.25 -1.26 -4.79 115.22 111.75 1mc7 n HIS 9 Ca -0.01 1.41 0.00 0.00 -0.26 0.00 0.00 57.72 58.86 1mc7 n HIS 9 Cb 0.28 -2.53 0.00 0.00 1.12 0.00 0.00 29.99 28.86 1mc7 n HIS 9 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1mc7 n HIS 10 N -3.47 -1.31 -1.32 4.41 -0.00 -1.26 -4.46 115.22 107.80 1mc7 n HIS 10 Ca -0.00 0.23 -0.51 0.00 0.46 0.00 0.00 57.72 57.90 1mc7 n HIS 10 Cb 0.63 0.40 -0.06 0.00 -0.12 0.00 0.00 29.99 30.84 1mc7 n HIS 10 CO 0.00 0.00 0.00 0.34 0.46 0.00 0.00 176.34 177.14 1mc7 n PHE 11 N -3.21 0.39 0.00 1.57 7.35 -1.26 -4.86 117.46 117.45 1mc7 n PHE 11 Ca 0.00 0.93 0.00 0.00 -0.76 0.00 0.00 57.45 57.62 1mc7 n PHE 11 Cb 0.00 -1.84 0.00 0.00 0.35 0.00 0.00 39.48 37.99 1mc7 n PHE 11 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 1mc7 n LEU 12 N 1.42 0.00 -4.31 -2.13 0.00 -1.26 -4.96 117.00 105.77 1mc7 n LEU 12 Ca 0.18 0.00 -0.44 0.00 0.00 0.00 0.00 56.01 55.75 1mc7 n LEU 12 Cb 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 43.42 43.51 1mc7 n LEU 12 CO 0.54 0.00 0.71 -0.83 0.00 0.00 0.00 177.39 177.80 1mc7 s GLY 13 N 0.00 3.19 0.40 -3.96 0.00 -1.26 -5.01 107.32 100.68 1mc7 s GLY 13 Ca 0.00 -3.83 0.07 0.00 0.00 0.00 0.00 44.72 40.97 1mc7 s GLY 13 CO 0.00 1.31 0.03 -0.26 0.00 0.00 0.00 173.10 174.18 1mc7 s ILE 14 N -1.23 2.11 0.21 0.90 -5.25 -1.26 -4.01 121.20 112.67 1mc7 s ILE 14 Ca 0.30 -1.96 -0.17 0.00 -0.99 0.00 0.00 60.65 57.83 1mc7 s ILE 14 Cb -0.10 -2.96 0.02 0.00 2.95 0.00 0.00 42.46 42.38 1mc7 s ILE 14 CO -0.09 -0.03 0.53 -0.44 -1.79 0.00 0.00 174.94 173.12 1mc7 s SER 15 N -3.74 -0.24 0.39 4.36 0.01 -1.25 -5.03 113.70 108.21 1mc7 s SER 15 Ca 0.36 -0.54 0.04 0.00 1.31 0.00 0.00 55.95 57.11 1mc7 s SER 15 Cb 0.08 0.59 -0.03 0.00 0.21 0.00 0.00 66.02 66.86 1mc7 s SER 15 CO 0.19 -1.08 0.11 0.27 0.41 0.00 0.00 173.24 173.14 1mc7 s ILE 16 N -3.89 0.74 0.11 1.44 -5.25 -1.26 0.29 121.20 113.37 1mc7 s ILE 16 Ca 0.11 -2.00 -0.26 0.00 -0.99 0.00 0.00 60.65 57.51 1mc7 s ILE 16 Cb -0.01 -2.43 0.08 0.00 2.95 0.00 0.00 42.46 43.04 1mc7 s ILE 16 CO -0.01 0.00 0.99 0.54 -1.79 0.00 0.00 174.94 174.68 1mc7 s VAL 17 N -3.22 0.00 0.00 8.37 0.11 -0.64 -4.12 120.40 120.90 1mc7 s VAL 17 Ca 0.26 -0.53 0.00 0.00 -2.93 0.00 0.00 61.98 58.77 1mc7 s VAL 17 Cb 0.04 -1.87 0.00 0.00 -1.53 0.00 0.00 36.38 33.01 1mc7 s VAL 17 CO 0.14 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.52 1mc7 n GLY 18 N -0.45 5.20 2.16 6.54 0.00 -1.26 -1.28 105.19 116.10 1mc7 n GLY 18 Ca -0.07 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.32 1mc7 n GLY 18 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1mc7 n GLN 19 N 0.00 0.00 -3.59 1.61 6.02 -1.26 -4.97 117.38 115.18 1mc7 n GLN 19 Ca 0.00 0.00 -0.20 0.00 -0.01 0.00 0.00 57.00 56.79 1mc7 n GLN 19 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 1mc7 n GLN 19 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1mc7 n SER 20 N -3.27 -5.61 -0.13 1.08 7.64 -1.26 -4.93 113.62 107.14 1mc7 n SER 20 Ca 0.00 -0.69 -0.27 0.00 1.01 0.00 0.00 58.87 58.93 1mc7 n SER 20 Cb 0.00 -2.56 -0.09 0.00 -1.01 0.00 0.00 64.21 60.55 1mc7 n SER 20 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1mc7 n ASN 21 N -2.24 1.95 -4.94 6.43 6.94 -1.26 -4.96 115.26 117.19 1mc7 n ASN 21 Ca -0.23 0.34 -0.25 0.00 -0.02 0.00 0.00 54.58 54.43 1mc7 n ASN 21 Cb 0.65 -0.81 0.06 0.00 -2.36 0.00 0.00 39.78 37.31 1mc7 n ASN 21 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1mc7 s ASP 22 N -7.25 5.00 -0.66 0.53 2.15 -1.26 -4.89 116.67 110.29 1mc7 s ASP 22 Ca -0.37 0.37 -0.39 0.00 0.43 0.00 0.00 52.55 52.59 1mc7 s ASP 22 Cb 0.13 -1.11 -0.20 0.00 -0.30 0.00 0.00 42.92 41.44 1mc7 s ASP 22 CO 0.48 -1.44 2.30 0.54 -0.17 0.00 0.00 175.17 176.89 1mc7 n ARG 23 N -2.75 0.00 0.00 4.34 1.74 -1.26 -4.57 116.66 114.16 1mc7 n ARG 23 Ca 0.08 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 1mc7 n ARG 23 Cb 0.60 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.56 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 7.09 0.87 2.86 -0.13 0.00 -1.26 -4.90 105.19 109.73 1mc7 n GLY 24 Ca 0.58 -0.32 -0.01 0.00 0.00 0.00 0.00 46.02 46.27 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 -2.21 -6.46 -4.03 1.61 -0.08 -1.26 -4.72 116.55 99.40 1mc7 n ASP 25 Ca 0.00 1.10 -0.26 0.00 -1.51 0.00 0.00 54.79 54.12 1mc7 n ASP 25 Cb 0.00 -3.99 -0.17 0.00 2.34 0.00 0.00 41.12 39.31 1mc7 n ASP 25 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 1mc7 s GLY 26 N -1.18 0.90 -0.78 0.27 0.00 -1.26 -4.78 107.32 100.49 1mc7 s GLY 26 Ca -0.04 -0.56 -0.03 0.00 0.00 0.00 0.00 44.72 44.09 1mc7 s GLY 26 CO 0.51 0.21 0.64 -0.32 0.00 0.00 0.00 173.10 174.14 1mc7 s GLY 27 N 0.87 2.81 0.21 0.20 0.00 -1.26 -4.73 107.32 105.42 1mc7 s GLY 27 Ca -0.10 -3.57 -0.30 0.00 0.00 0.00 0.00 44.72 40.75 1mc7 s GLY 27 CO 0.01 1.16 0.91 1.39 0.00 0.00 0.00 173.10 176.58 1mc7 n ILE 28 N 2.94 1.57 -4.34 0.90 2.08 -1.26 -4.88 119.36 116.37 1mc7 n ILE 28 Ca 0.15 -0.39 -0.19 0.00 0.56 0.00 0.00 62.75 62.88 1mc7 n ILE 28 Cb 0.38 -0.61 -0.14 0.00 -0.75 0.00 0.00 39.64 38.53 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 -0.74 0.94 -0.25 1.39 1.13 -0.41 -3.99 117.35 115.42 1mc7 s TYR 29 Ca 0.66 -0.26 -0.42 0.00 -1.41 0.00 0.00 57.07 55.64 1mc7 s TYR 29 Cb -0.84 -0.58 -0.18 0.00 -1.10 0.00 0.00 41.96 39.25 1mc7 s TYR 29 CO 0.57 -0.01 1.50 1.51 -2.51 0.00 0.00 175.55 176.61 1mc7 n ILE 30 N 2.39 0.09 -0.14 -3.49 0.13 -0.93 -1.61 119.36 115.79 1mc7 n ILE 30 Ca -0.16 -0.02 -0.05 0.00 -1.10 0.00 0.00 62.75 61.42 1mc7 n ILE 30 Cb 0.56 -0.67 0.03 0.00 -0.84 0.00 0.00 39.64 38.73 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 5.22 0.62 -3.05 4.50 0.00 -0.32 -3.36 103.07 106.67 1mc7 h GLY 31 Ca -0.47 -0.15 0.40 0.00 0.00 0.00 0.00 47.33 47.11 1mc7 h GLY 31 CO 0.88 0.10 1.00 -0.56 0.00 0.00 0.00 176.54 177.96 1mc7 s SER 32 N -5.47 -0.00 -0.08 0.19 0.01 -1.26 -4.66 113.70 102.43 1mc7 s SER 32 Ca -0.13 -0.00 0.02 0.00 1.31 0.00 0.00 55.95 57.15 1mc7 s SER 32 Cb 0.13 0.00 0.01 0.00 0.21 0.00 0.00 66.02 66.37 1mc7 s SER 32 CO 0.73 -0.01 -0.15 -0.63 0.41 0.00 0.00 173.24 173.59 1mc7 s ILE 33 N -2.01 1.38 -0.12 1.44 1.09 -1.26 -3.94 121.20 117.79 1mc7 s ILE 33 Ca 0.15 -0.61 0.01 0.00 -1.10 0.00 0.00 60.65 59.10 1mc7 s ILE 33 Cb 0.07 -1.24 0.16 0.00 -1.06 0.00 0.00 42.46 40.39 1mc7 s ILE 33 CO -0.07 0.41 1.32 0.23 -0.10 0.00 0.00 174.94 176.73 1mc7 n MET 34 N 3.84 1.32 -3.96 2.79 2.81 -1.26 -4.82 117.12 117.84 1mc7 n MET 34 Ca -0.21 -0.75 -0.30 0.00 -1.81 0.00 0.00 57.70 54.62 1mc7 n MET 34 Cb 0.52 -1.29 -0.07 0.00 -0.71 0.00 0.00 33.22 31.66 1mc7 n MET 34 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1mc7 n LYS 35 N 0.19 -0.85 0.00 0.03 4.81 -1.26 -4.87 118.16 116.21 1mc7 n LYS 35 Ca 0.15 0.10 0.00 0.00 -0.87 0.00 0.00 58.31 57.68 1mc7 n LYS 35 Cb 0.76 -3.41 0.00 0.00 0.02 0.00 0.00 35.03 32.41 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 -1.53 -3.04 0.00 3.14 0.00 -1.26 -4.70 105.19 97.80 1mc7 n GLY 36 Ca -0.06 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.43 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 0.68 0.00 -0.02 0.00 -1.26 -4.37 105.19 100.22 1mc7 n GLY 37 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.96 0.00 0.27 4.61 0.00 -1.26 -3.39 120.51 119.79 1mc7 n ALA 38 Ca 0.00 -0.05 0.15 0.00 0.00 0.00 0.00 53.44 53.54 1mc7 n ALA 38 Cb 0.00 0.00 0.75 0.00 0.00 0.00 0.00 19.45 20.20 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 0.35 -0.10 0.00 2.07 -1.96 -2.44 116.25 114.17 1mc7 h VAL 39 Ca 0.00 -0.54 -0.08 0.00 0.82 0.00 0.00 66.70 66.90 1mc7 h VAL 39 Cb 0.00 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 1mc7 h VAL 39 CO 0.00 0.09 -0.24 0.00 0.02 0.00 0.00 177.57 177.44 1mc7 h ALA 40 N 1.91 0.16 -0.19 1.67 0.00 -1.79 -2.81 119.26 118.21 1mc7 h ALA 40 Ca -0.00 -0.39 0.06 0.00 0.00 0.00 0.00 54.91 54.57 1mc7 h ALA 40 Cb 0.39 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1mc7 h ALA 40 CO 0.01 0.14 0.30 0.00 0.00 0.00 0.00 179.25 179.70 1mc7 h ALA 41 N 0.49 1.71 0.29 0.00 0.00 -1.45 -0.28 119.26 120.03 1mc7 h ALA 41 Ca -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1mc7 h ALA 41 Cb 0.85 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1mc7 h ALA 41 CO 0.05 -0.40 -0.14 0.22 0.00 0.00 0.00 179.25 178.98 1mc7 h ASP 42 N 0.00 -0.33 0.00 0.00 1.82 -1.40 -3.50 116.42 113.01 1mc7 h ASP 42 Ca 0.09 -0.17 0.00 0.00 -0.39 0.00 0.00 57.03 56.56 1mc7 h ASP 42 Cb 0.69 0.09 0.00 0.00 0.68 0.00 0.00 39.33 40.79 1mc7 h ASP 42 CO -0.00 0.01 0.00 0.61 -1.61 0.00 0.00 179.24 178.25 1mc7 n GLY 43 N -0.40 -0.54 2.72 -0.78 0.00 -0.12 -4.97 105.19 101.11 1mc7 n GLY 43 Ca -0.10 0.09 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 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 3.56 -0.97 1.61 3.00 -1.26 -4.68 116.66 117.92 1mc7 n ARG 44 Ca 0.00 -4.48 -0.37 0.00 -0.01 0.00 0.00 57.85 53.00 1mc7 n ARG 44 Cb 0.00 -2.28 0.05 0.00 0.00 0.00 0.00 32.46 30.22 1mc7 n ARG 44 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 1mc7 n ILE 45 N -0.35 0.00 -4.36 0.55 2.08 -1.26 -5.00 119.36 111.01 1mc7 n ILE 45 Ca 0.40 -0.33 -0.19 0.00 0.56 0.00 0.00 62.75 63.20 1mc7 n ILE 45 Cb 0.44 -0.07 -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 -2.17 1.38 0.08 0.38 2.02 -1.26 -4.90 118.70 114.23 1mc7 s GLU 46 Ca 0.41 -1.66 -0.14 0.00 0.02 0.00 0.00 54.97 53.60 1mc7 s GLU 46 Cb -0.10 -1.01 -0.20 0.00 0.10 0.00 0.00 34.13 32.92 1mc7 s GLU 46 CO 0.76 0.08 1.23 -1.00 0.02 0.00 0.00 175.26 176.36 1mc7 h PRO 47 N 2.47 0.74 -1.51 0.39 0.13 -1.83 -3.20 132.00 129.18 1mc7 h PRO 47 Ca -0.39 -0.72 -0.15 0.00 -0.87 0.00 0.00 66.00 63.87 1mc7 h PRO 47 Cb 1.22 0.19 -0.07 0.00 0.13 0.00 0.00 31.00 32.47 1mc7 h PRO 47 CO 0.64 1.30 0.19 0.41 -0.23 0.00 0.00 178.00 180.32 1mc7 n GLY 48 N 0.94 3.07 0.14 1.56 0.00 -1.26 -2.18 105.19 107.46 1mc7 n GLY 48 Ca -0.10 -0.45 0.04 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 0.91 0.00 -2.56 1.61 -0.00 -1.84 -3.39 116.42 111.14 1mc7 h ASP 49 Ca 0.15 0.00 -0.04 0.00 -0.00 0.00 0.00 57.03 57.13 1mc7 h ASP 49 Cb 1.11 0.00 0.02 0.00 -0.00 0.00 0.00 39.33 40.47 1mc7 h ASP 49 CO 0.34 0.41 -0.11 0.80 -0.00 0.00 0.00 179.24 180.68 1mc7 n MET 50 N -3.13 -0.87 -3.04 0.28 1.56 -1.26 -3.96 117.12 106.71 1mc7 n MET 50 Ca 0.01 0.12 -0.44 0.00 -0.27 0.00 0.00 57.70 57.11 1mc7 n MET 50 Cb 0.71 -2.90 -0.01 0.00 2.15 0.00 0.00 33.22 33.16 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 -2.65 5.45 0.00 -0.89 1.98 -1.26 -2.93 118.68 118.38 1mc7 s LEU 51 Ca 0.00 -2.70 0.00 0.00 -2.89 0.00 0.00 54.13 48.55 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 0.10 -0.78 0.58 0.00 -1.89 0.00 0.00 176.35 174.37 1mc7 n LEU 52 N 5.36 0.96 -4.13 -0.68 -0.00 -1.23 -4.15 117.00 113.14 1mc7 n LEU 52 Ca 0.27 -0.96 -0.14 0.00 -0.00 0.00 0.00 56.01 55.19 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 0.00 177.39 177.74 1mc7 s GLN 53 N -0.34 0.71 0.04 1.47 -2.07 -0.94 -3.55 119.66 114.99 1mc7 s GLN 53 Ca 0.00 -0.99 -0.00 0.00 -1.82 0.00 0.00 55.36 52.54 1mc7 s GLN 53 Cb 0.00 -0.43 -0.03 0.00 -1.09 0.00 0.00 33.01 31.46 1mc7 s GLN 53 CO 0.00 0.07 -0.04 0.08 -1.32 0.00 0.00 175.29 174.08 1mc7 s VAL 54 N -2.02 0.22 0.00 3.63 1.01 -1.15 0.24 120.40 122.33 1mc7 s VAL 54 Ca -0.01 -1.36 0.00 0.00 0.00 0.00 0.00 61.98 60.61 1mc7 s VAL 54 Cb -0.06 -0.90 0.00 0.00 0.00 0.00 0.00 36.38 35.42 1mc7 s VAL 54 CO -0.00 -0.72 0.00 -3.20 0.00 0.00 0.00 175.10 171.17 1mc7 n ASN 55 N 0.86 0.00 0.00 3.32 5.15 0.49 0.14 115.26 125.23 1mc7 n ASN 55 Ca -0.19 0.00 0.11 0.00 -0.60 0.00 0.00 54.58 53.90 1mc7 n ASN 55 Cb 0.58 0.00 0.64 0.00 -0.53 0.00 0.00 39.78 40.47 1mc7 n ASN 55 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1mc7 n ASP 56 N -2.20 0.00 -4.86 1.20 4.64 -1.26 -4.79 116.55 109.28 1mc7 n ASP 56 Ca 0.00 -1.05 -0.31 0.00 -1.38 0.00 0.00 54.79 52.05 1mc7 n ASP 56 Cb 0.00 0.00 -0.03 0.00 -1.04 0.00 0.00 41.12 40.05 1mc7 n ASP 56 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 1mc7 s VAL 57 N -2.00 4.67 -0.39 5.18 1.01 0.37 -5.05 120.40 124.18 1mc7 s VAL 57 Ca 0.32 0.90 0.06 0.00 0.00 0.00 0.00 61.98 63.26 1mc7 s VAL 57 Cb 0.15 -3.73 0.17 0.00 0.00 0.00 0.00 36.38 32.97 1mc7 s VAL 57 CO 0.25 -0.62 0.52 0.20 0.00 0.00 0.00 175.10 175.45 1mc7 s ASN 58 N -3.16 -0.32 -0.34 3.32 -0.87 -1.26 -2.96 114.94 109.36 1mc7 s ASN 58 Ca 0.55 -1.16 -0.06 0.00 -1.57 0.00 0.00 52.86 50.61 1mc7 s ASN 58 Cb -0.10 1.33 -0.21 0.00 -0.02 0.00 0.00 41.25 42.24 1mc7 s ASN 58 CO 0.32 -0.21 3.29 0.49 -2.57 0.00 0.00 177.10 178.43 1mc7 n PHE 59 N 4.32 0.51 0.00 2.20 3.72 -1.23 -4.58 117.46 122.40 1mc7 n PHE 59 Ca 0.11 -1.74 0.00 0.00 -0.05 0.00 0.00 57.45 55.77 1mc7 n PHE 59 Cb 0.52 -1.71 0.00 0.00 -0.94 0.00 0.00 39.48 37.34 1mc7 n PHE 59 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1mc7 n GLU 60 N 2.79 0.00 -0.33 -1.08 -0.58 -1.26 -2.26 120.64 117.91 1mc7 n GLU 60 Ca 0.48 0.25 0.36 0.00 -0.42 0.00 0.00 57.16 57.83 1mc7 n GLU 60 Cb 0.72 -1.13 0.66 0.00 -0.57 0.00 0.00 31.44 31.12 1mc7 n GLU 60 CO 0.00 0.00 0.00 -0.91 -0.48 0.00 0.00 177.13 175.74 1mc7 h ASN 61 N 0.00 0.00 0.00 1.62 4.21 -1.94 -2.52 115.58 116.95 1mc7 h ASN 61 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1mc7 h ASN 61 Cb 0.00 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.20 1mc7 h ASN 61 CO 0.00 0.00 0.00 0.23 -1.29 0.00 0.00 177.43 176.37 1mc7 n MET 62 N -3.71 0.00 -3.97 0.81 2.81 -1.14 -4.83 117.12 107.10 1mc7 n MET 62 Ca 0.28 0.00 -0.32 0.00 -1.81 0.00 0.00 57.70 55.84 1mc7 n MET 62 Cb 1.48 -0.74 -0.01 0.00 -0.71 0.00 0.00 33.22 33.24 1mc7 n MET 62 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1mc7 n SER 63 N -0.26 -2.04 -0.48 7.83 2.88 -0.95 -4.74 113.62 115.85 1mc7 n SER 63 Ca 0.00 -0.98 0.04 0.00 -1.33 0.00 0.00 58.87 56.60 1mc7 n SER 63 Cb 0.00 -1.19 0.12 0.00 -0.75 0.00 0.00 64.21 62.39 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 -1.55 1.40 -1.21 -3.46 2.85 -1.26 -4.84 115.26 107.18 1mc7 n ASN 64 Ca -0.13 -2.00 -0.16 0.00 -0.11 0.00 0.00 54.58 52.19 1mc7 n ASN 64 Cb 0.45 -0.17 -0.07 0.00 1.24 0.00 0.00 39.78 41.23 1mc7 n ASN 64 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 1mc7 n ASP 65 N 0.26 -5.00 -0.91 1.20 2.03 -1.26 -4.69 116.55 108.18 1mc7 n ASP 65 Ca 0.09 0.39 -0.06 0.00 0.52 0.00 0.00 54.79 55.73 1mc7 n ASP 65 Cb 0.22 -3.89 -0.06 0.00 -0.72 0.00 0.00 41.12 36.67 1mc7 n ASP 65 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1mc7 n ASP 66 N -0.66 -0.83 0.28 1.67 5.68 -1.26 -4.70 116.55 116.72 1mc7 n ASP 66 Ca -0.16 -1.72 0.14 0.00 -0.50 0.00 0.00 54.79 52.56 1mc7 n ASP 66 Cb 0.54 0.25 0.75 0.00 -1.14 0.00 0.00 41.12 41.52 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 0.00 1.21 -0.99 2.12 0.00 -1.95 0.11 119.26 119.76 1mc7 h ALA 67 Ca -0.48 0.00 0.11 0.00 0.00 0.00 0.00 54.91 54.55 1mc7 h ALA 67 Cb 1.28 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.99 1mc7 h ALA 67 CO -0.24 -0.21 0.63 0.28 0.00 0.00 0.00 179.25 179.70 1mc7 h VAL 68 N 0.00 0.94 -0.67 0.00 2.07 -1.96 0.21 116.25 116.84 1mc7 h VAL 68 Ca 0.00 -0.34 0.19 0.00 0.82 0.00 0.00 66.70 67.37 1mc7 h VAL 68 Cb 0.47 -0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.07 1mc7 h VAL 68 CO 0.00 0.18 0.90 -0.09 0.02 0.00 0.00 177.57 178.59 1mc7 h ARG 69 N 1.00 0.00 0.00 1.57 2.43 -1.20 0.72 114.38 118.89 1mc7 h ARG 69 Ca 0.48 0.00 -0.28 0.00 -0.81 0.00 0.00 59.98 59.37 1mc7 h ARG 69 Cb 0.45 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.96 1mc7 h ARG 69 CO -0.24 0.00 -1.95 1.55 -1.51 0.00 0.00 179.97 177.82 1mc7 n VAL 70 N -3.28 0.94 -0.29 0.20 3.14 0.49 -4.41 118.33 115.12 1mc7 n VAL 70 Ca 0.14 -0.27 0.10 0.00 -2.96 0.00 0.00 64.34 61.35 1mc7 n VAL 70 Cb 1.13 -1.56 0.26 0.00 -1.06 0.00 0.00 33.84 32.61 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 -0.45 0.23 -2.72 6.55 5.85 0.94 1.77 115.31 127.47 1mc7 h LEU 71 Ca -0.42 0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.45 1mc7 h LEU 71 Cb 1.43 0.15 -0.00 0.00 0.37 0.00 0.00 40.66 42.61 1mc7 h LEU 71 CO -0.21 0.00 -0.01 -0.09 -0.34 0.00 0.00 178.44 177.80 1mc7 h ARG 72 N 0.37 0.00 0.00 1.25 2.43 0.12 0.17 114.38 118.73 1mc7 h ARG 72 Ca 0.50 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.66 1mc7 h ARG 72 Cb 0.91 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.45 1mc7 h ARG 72 CO -0.51 0.01 -0.05 1.05 -1.51 0.00 0.00 179.97 178.96 1mc7 h GLU 73 N 0.00 0.00 0.00 0.20 4.11 0.25 -2.95 114.58 116.19 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 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1mc7 h GLU 73 CO 0.00 0.05 0.00 -0.89 0.07 0.00 0.00 179.01 178.24 1mc7 n ILE 74 N -3.12 0.00 -0.35 -1.06 2.08 0.60 -1.13 119.36 116.37 1mc7 n ILE 74 Ca 0.03 0.24 0.32 0.00 0.56 0.00 0.00 62.75 63.90 1mc7 n ILE 74 Cb 0.47 -0.91 0.57 0.00 -0.75 0.00 0.00 39.64 39.02 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 -0.31 0.21 1.39 0.24 -1.25 0.90 118.33 119.51 1mc7 n VAL 75 Ca 0.00 1.72 -0.16 0.00 -2.04 0.00 0.00 64.34 63.86 1mc7 n VAL 75 Cb 0.00 -2.81 -0.09 0.00 -1.47 0.00 0.00 33.84 29.47 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 -1.35 0.00 -1.34 0.87 -1.60 -3.42 113.55 106.72 1mc7 h SER 76 Ca 0.77 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 61.46 1mc7 h SER 76 Cb 2.27 0.46 0.00 0.00 -0.44 0.00 0.00 62.40 64.69 1mc7 h SER 76 CO -0.56 -0.58 0.00 0.00 -0.53 0.00 0.00 176.83 175.16 1mc7 n GLN 77 N -5.24 0.00 -0.21 2.24 6.02 0.26 -4.98 117.38 115.47 1mc7 n GLN 77 Ca -0.10 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 56.81 1mc7 n GLN 77 Cb 0.41 0.00 0.08 0.00 1.02 0.00 0.00 30.24 31.75 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 -0.96 5.09 -2.24 -1.25 -4.74 114.28 110.18 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 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 67.96 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 -0.98 -3.82 3.80 3.38 0.00 -1.26 -3.95 105.19 102.36 1mc7 n GLY 79 Ca 0.04 -0.60 -0.34 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.27 3.79 0.34 1.61 0.04 -1.26 -4.33 135.00 132.91 1mc7 s PRO 80 Ca 0.00 1.35 -0.26 0.00 0.04 0.00 0.00 61.00 62.13 1mc7 s PRO 80 Cb 0.00 -2.09 -0.09 0.00 0.04 0.00 0.00 34.50 32.35 1mc7 s PRO 80 CO 0.00 -0.44 1.00 0.42 0.04 0.00 0.00 177.00 178.02 1mc7 s ILE 81 N -2.01 3.96 0.00 0.56 1.01 -1.26 -4.49 121.20 118.97 1mc7 s ILE 81 Ca 0.67 1.64 0.00 0.00 0.00 0.00 0.00 60.65 62.96 1mc7 s ILE 81 Cb -0.16 -3.91 0.00 0.00 0.01 0.00 0.00 42.46 38.40 1mc7 s ILE 81 CO 0.21 0.14 0.00 -1.20 0.00 0.00 0.00 174.94 174.09 1mc7 n SER 82 N 0.48 0.00 -2.67 3.58 7.64 -1.26 -4.76 113.62 116.63 1mc7 n SER 82 Ca 0.02 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.64 1mc7 n SER 82 Cb 0.49 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.68 1mc7 n SER 82 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1mc7 n LEU 83 N 0.00 -1.51 -3.94 -3.43 -0.00 -1.26 -0.38 117.00 106.49 1mc7 n LEU 83 Ca 0.00 0.55 -0.13 0.00 -0.00 0.00 0.00 56.01 56.43 1mc7 n LEU 83 Cb 0.00 -0.56 -0.13 0.00 -0.00 0.00 0.00 43.42 42.73 1mc7 n LEU 83 CO 0.00 -2.40 -0.38 -0.89 -0.00 0.00 0.00 177.39 173.72 1mc7 s THR 84 N -0.93 0.20 0.06 1.47 2.01 0.67 -3.55 115.64 115.58 1mc7 s THR 84 Ca 0.37 -0.35 0.02 0.00 0.31 0.00 0.00 61.69 62.04 1mc7 s THR 84 Cb -0.44 -0.22 -0.03 0.00 0.01 0.00 0.00 72.50 71.82 1mc7 s THR 84 CO 0.38 -0.10 -0.07 0.68 -0.69 0.00 0.00 174.62 174.82 1mc7 s VAL 85 N -0.45 0.53 -0.66 3.82 -7.23 -1.26 -2.21 120.40 112.94 1mc7 s VAL 85 Ca -0.03 -1.36 -0.01 0.00 -1.81 0.00 0.00 61.98 58.77 1mc7 s VAL 85 Cb -0.04 -0.94 0.44 0.00 0.56 0.00 0.00 36.38 36.40 1mc7 s VAL 85 CO -0.00 -0.57 1.97 0.00 -0.31 0.00 0.00 175.10 176.18 1mc7 n ALA 86 N 0.96 6.26 -1.11 1.32 0.00 -1.15 -1.85 120.51 124.93 1mc7 n ALA 86 Ca -0.19 -3.57 0.13 0.00 0.00 0.00 0.00 53.44 49.80 1mc7 n ALA 86 Cb 0.57 -1.68 -0.04 0.00 0.00 0.00 0.00 19.45 18.29 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 -0.86 -2.08 -2.65 0.00 4.76 -1.25 -4.95 118.16 111.11 1mc7 n LYS 87 Ca 0.61 1.52 -0.02 0.00 -2.87 0.00 0.00 58.31 57.54 1mc7 n LYS 87 Cb 0.64 -2.63 0.08 0.00 -1.84 0.00 0.00 35.03 31.28 1mc7 n LYS 87 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1mc7 n ALA 88 N -2.63 -3.30 -3.59 7.82 0.00 -1.26 -4.61 120.51 112.93 1mc7 n ALA 88 Ca -0.02 -0.27 0.10 0.00 0.00 0.00 0.00 53.44 53.26 1mc7 n ALA 88 Cb 0.62 -2.74 0.01 0.00 0.00 0.00 0.00 19.45 17.34 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 0.22 -0.26 -3.96 0.00 -0.00 -1.26 -4.83 117.44 107.35 1mc7 n TRP 89 Ca -0.14 -0.41 -0.30 0.00 -0.00 0.00 0.00 57.50 56.65 1mc7 n TRP 89 Cb 0.73 0.18 -0.14 0.00 -0.00 0.00 0.00 31.31 32.07 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 -2.68 4.48 0.53 5.87 -1.08 -1.26 -5.10 116.67 117.43 1mc7 s ASP 90 Ca 0.18 -2.54 0.00 0.00 -0.52 0.00 0.00 52.55 49.66 1mc7 s ASP 90 Cb -0.00 -1.57 0.00 0.00 -1.46 0.00 0.00 42.92 39.88 1mc7 s ASP 90 CO -0.01 -0.31 0.00 -0.81 0.52 0.00 0.00 175.17 174.57 1mc7 n PRO 91 N 3.73 0.21 -3.69 4.34 -0.04 -1.26 -5.11 135.00 133.17 1mc7 n PRO 91 Ca 0.04 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.36 1mc7 n PRO 91 Cb 0.37 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.75 1mc7 n PRO 91 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1mc7 s THR 92 N -0.53 0.02 -0.20 0.52 -1.32 -1.26 -5.13 115.64 107.73 1mc7 s THR 92 Ca 0.00 -0.14 -0.29 0.00 -1.21 0.00 0.00 61.69 60.04 1mc7 s THR 92 Cb 0.00 -0.72 -0.01 0.00 -1.51 0.00 0.00 72.50 70.26 1mc7 s THR 92 CO 0.00 -0.08 1.30 -2.16 -2.21 0.00 0.00 174.62 171.47 1mc7 s PRO 93 N -0.49 4.12 0.00 7.08 0.04 -1.26 -5.01 135.00 139.48 1mc7 s PRO 93 Ca -0.06 1.55 -0.06 0.00 0.04 0.00 0.00 61.00 62.47 1mc7 s PRO 93 Cb -0.03 -3.81 -0.05 0.00 0.04 0.00 0.00 34.50 30.65 1mc7 s PRO 93 CO 0.03 -0.85 0.26 -0.98 0.04 0.00 0.00 177.00 175.50 1mc7 s ARG 94 N 3.75 3.57 0.00 4.56 1.04 -1.26 -5.38 118.95 125.23 1mc7 s ARG 94 Ca 0.56 -0.09 0.00 0.00 -1.04 0.00 0.00 55.73 55.16 1mc7 s ARG 94 Cb -0.21 -3.08 0.00 0.00 -2.04 0.00 0.00 34.95 29.62 1mc7 s ARG 94 CO 0.18 0.65 0.37 0.43 -0.04 0.00 0.00 175.30 176.89