#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 -0.16 -0.68 1.08 1.01 -1.25 -4.88 120.40 115.52 1mc7 s VAL 2 Ca 0.00 0.21 -0.15 0.00 0.00 0.00 0.00 61.98 62.04 1mc7 s VAL 2 Cb 0.00 -0.37 0.17 0.00 0.00 0.00 0.00 36.38 36.19 1mc7 s VAL 2 CO 0.00 0.09 0.63 -0.89 0.00 0.00 0.00 175.10 174.93 1mc7 s THR 3 N 1.66 5.40 1.42 3.92 2.01 -1.26 -4.17 115.64 124.62 1mc7 s THR 3 Ca -0.05 -1.96 -0.22 0.00 0.31 0.00 0.00 61.69 59.77 1mc7 s THR 3 Cb -0.11 -4.40 0.37 0.00 0.01 0.00 0.00 72.50 68.36 1mc7 s THR 3 CO -0.08 -0.95 0.92 -0.76 -0.69 0.00 0.00 174.62 173.06 1mc7 s LEU 4 N 0.93 -1.10 0.27 4.42 1.43 -1.26 -5.02 118.68 118.35 1mc7 s LEU 4 Ca 0.10 0.97 0.03 0.00 -1.03 0.00 0.00 54.13 54.20 1mc7 s LEU 4 Cb -0.20 -2.42 -0.03 0.00 0.03 0.00 0.00 46.19 43.56 1mc7 s LEU 4 CO -0.03 -5.40 0.43 0.20 0.23 0.00 0.00 176.35 171.78 1mc7 s ASN 5 N -2.96 6.32 0.47 2.29 -0.87 -1.26 -4.98 114.94 113.94 1mc7 s ASN 5 Ca 0.68 0.23 0.00 0.00 -1.57 0.00 0.00 52.86 52.20 1mc7 s ASN 5 Cb -0.15 -1.93 0.00 0.00 -0.02 0.00 0.00 41.25 39.15 1mc7 s ASN 5 CO 0.59 -0.14 0.00 0.80 -2.57 0.00 0.00 177.10 175.78 1mc7 n MET 6 N -1.46 -3.05 -4.20 -0.60 1.56 -1.26 -5.01 117.12 103.09 1mc7 n MET 6 Ca -0.07 2.27 -0.12 0.00 -0.27 0.00 0.00 57.70 59.50 1mc7 n MET 6 Cb 0.56 -3.65 -0.10 0.00 2.15 0.00 0.00 33.22 32.19 1mc7 n MET 6 CO 0.00 0.00 0.00 -1.21 -0.73 0.00 0.00 175.97 174.03 1mc7 s GLU 7 N -3.17 1.10 -0.05 2.12 8.01 -1.26 -4.95 118.70 120.50 1mc7 s GLU 7 Ca 0.00 -1.55 -0.01 0.00 0.01 0.00 0.00 54.97 53.42 1mc7 s GLU 7 Cb 0.00 0.10 0.00 0.00 -4.31 0.00 0.00 34.13 29.93 1mc7 s GLU 7 CO 0.00 -0.28 0.02 0.54 0.01 0.00 0.00 175.26 175.55 1mc7 n ARG 8 N -0.22 -1.32 -3.15 1.61 5.12 -1.26 -5.02 116.66 112.42 1mc7 n ARG 8 Ca -0.03 1.37 0.06 0.00 -1.93 0.00 0.00 57.85 57.32 1mc7 n ARG 8 Cb 0.65 -1.76 -0.01 0.00 -1.16 0.00 0.00 32.46 30.18 1mc7 n ARG 8 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 1mc7 s HIS 9 N -0.72 -0.25 -0.36 -1.55 2.46 -1.26 -5.13 115.29 108.49 1mc7 s HIS 9 Ca -0.02 0.21 -0.25 0.00 0.47 0.00 0.00 55.06 55.46 1mc7 s HIS 9 Cb 0.00 0.07 0.01 0.00 -0.13 0.00 0.00 32.58 32.53 1mc7 s HIS 9 CO 0.15 -0.14 0.89 -1.58 -2.47 0.00 0.00 174.74 171.59 1mc7 s HIS 10 N 2.98 3.11 0.07 3.88 2.46 -1.26 -5.00 115.29 121.53 1mc7 s HIS 10 Ca 0.10 0.75 -0.23 0.00 0.47 0.00 0.00 55.06 56.15 1mc7 s HIS 10 Cb -0.05 -3.54 0.06 0.00 -0.13 0.00 0.00 32.58 28.92 1mc7 s HIS 10 CO -0.15 -0.77 0.55 0.12 -2.47 0.00 0.00 174.74 172.02 1mc7 s PHE 11 N 3.33 -0.47 0.20 3.88 5.36 -1.26 -5.13 117.98 123.89 1mc7 s PHE 11 Ca 0.36 0.46 0.00 0.00 -0.96 0.00 0.00 56.93 56.79 1mc7 s PHE 11 Cb -0.12 0.40 0.00 0.00 -0.34 0.00 0.00 43.02 42.96 1mc7 s PHE 11 CO 0.17 -0.70 0.00 -0.11 -1.46 0.00 0.00 175.22 173.12 1mc7 n LEU 12 N 0.19 -0.83 -4.56 6.12 -0.00 -1.26 -4.89 117.00 111.77 1mc7 n LEU 12 Ca -0.18 1.00 -0.40 0.00 -0.00 0.00 0.00 56.01 56.43 1mc7 n LEU 12 Cb 0.62 -0.40 -0.10 0.00 -0.00 0.00 0.00 43.42 43.53 1mc7 n LEU 12 CO 0.18 -0.15 -0.09 -0.83 -0.00 0.00 0.00 177.39 176.50 1mc7 s GLY 13 N -3.42 1.94 0.43 -3.96 0.00 -1.26 -5.07 107.32 95.97 1mc7 s GLY 13 Ca 0.00 -1.20 0.06 0.00 0.00 0.00 0.00 44.72 43.58 1mc7 s GLY 13 CO 0.00 0.79 0.09 -0.26 0.00 0.00 0.00 173.10 173.72 1mc7 s ILE 14 N 1.82 2.02 -0.01 0.90 -5.25 -1.26 -3.42 121.20 116.00 1mc7 s ILE 14 Ca 0.08 -1.87 -0.28 0.00 -0.99 0.00 0.00 60.65 57.59 1mc7 s ILE 14 Cb -0.17 -2.89 0.09 0.00 2.95 0.00 0.00 42.46 42.44 1mc7 s ILE 14 CO 0.11 0.00 0.77 -0.55 -1.79 0.00 0.00 174.94 173.48 1mc7 s SER 15 N -3.82 -0.51 0.46 4.36 0.15 -1.23 -4.99 113.70 108.11 1mc7 s SER 15 Ca 0.34 0.32 0.06 0.00 0.70 0.00 0.00 55.95 57.38 1mc7 s SER 15 Cb 0.06 0.47 -0.03 0.00 -1.71 0.00 0.00 66.02 64.82 1mc7 s SER 15 CO 0.18 -0.64 0.20 0.27 1.20 0.00 0.00 173.24 174.45 1mc7 s ILE 16 N -2.21 1.96 0.12 6.45 -5.25 -1.26 0.18 121.20 121.20 1mc7 s ILE 16 Ca -0.03 -1.70 -0.25 0.00 -0.99 0.00 0.00 60.65 57.68 1mc7 s ILE 16 Cb -0.01 -2.67 0.08 0.00 2.95 0.00 0.00 42.46 42.82 1mc7 s ILE 16 CO -0.01 0.00 1.08 0.54 -1.79 0.00 0.00 174.94 174.75 1mc7 s VAL 17 N -2.69 0.00 0.00 8.37 0.11 -0.46 -4.00 120.40 121.72 1mc7 s VAL 17 Ca 0.34 -0.51 0.00 0.00 -2.93 0.00 0.00 61.98 58.87 1mc7 s VAL 17 Cb 0.02 -2.48 0.00 0.00 -1.53 0.00 0.00 36.38 32.39 1mc7 s VAL 17 CO 0.19 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.57 1mc7 n GLY 18 N -0.62 4.80 0.66 6.54 0.00 -1.26 -1.46 105.19 113.85 1mc7 n GLY 18 Ca -0.04 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.54 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 -3.09 1.61 0.00 -1.26 -4.95 117.38 109.69 1mc7 n GLN 19 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.00 56.99 1mc7 n GLN 19 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 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 -2.72 -6.88 -0.10 1.69 7.64 -1.26 -4.97 113.62 107.03 1mc7 n SER 20 Ca 0.00 0.62 -0.12 0.00 1.01 0.00 0.00 58.87 60.38 1mc7 n SER 20 Cb 0.00 -2.47 -0.04 0.00 -1.01 0.00 0.00 64.21 60.69 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 1.09 1.93 -4.78 6.43 2.85 -1.26 -4.99 115.26 116.53 1mc7 n ASN 21 Ca -0.00 0.36 -0.30 0.00 -0.11 0.00 0.00 54.58 54.53 1mc7 n ASN 21 Cb 0.39 -0.77 0.10 0.00 1.24 0.00 0.00 39.78 40.75 1mc7 n ASN 21 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1mc7 s ASP 22 N -6.14 4.22 0.14 1.20 -1.08 -1.26 -4.93 116.67 108.83 1mc7 s ASP 22 Ca -0.29 1.37 -0.34 0.00 -0.52 0.00 0.00 52.55 52.76 1mc7 s ASP 22 Cb 0.05 -2.09 -0.14 0.00 -1.46 0.00 0.00 42.92 39.29 1mc7 s ASP 22 CO 0.42 -2.15 1.57 -1.14 0.52 0.00 0.00 175.17 174.40 1mc7 n ARG 23 N -3.56 2.08 0.00 4.34 0.63 -1.26 -4.72 116.66 114.17 1mc7 n ARG 23 Ca 0.07 0.75 0.00 0.00 -0.92 0.00 0.00 57.85 57.75 1mc7 n ARG 23 Cb 0.56 -2.52 0.00 0.00 0.45 0.00 0.00 32.46 30.95 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 3.40 0.62 3.06 5.14 0.00 -1.26 -4.87 105.19 111.27 1mc7 n GLY 24 Ca 0.17 -0.57 -0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.34 -6.93 -4.57 1.61 2.03 -1.26 -4.87 116.55 99.22 1mc7 n ASP 25 Ca 0.00 0.70 -0.27 0.00 0.52 0.00 0.00 54.79 55.74 1mc7 n ASP 25 Cb 0.00 -2.60 -0.11 0.00 -0.72 0.00 0.00 41.12 37.69 1mc7 n ASP 25 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1mc7 s GLY 26 N -1.15 2.31 -0.31 0.27 0.00 -1.26 -4.86 107.32 102.32 1mc7 s GLY 26 Ca -0.00 -2.18 0.04 0.00 0.00 0.00 0.00 44.72 42.58 1mc7 s GLY 26 CO 0.22 -2.05 0.49 -0.32 0.00 0.00 0.00 173.10 171.43 1mc7 s GLY 27 N -3.64 -0.82 0.33 0.20 0.00 -1.26 -4.98 107.32 97.16 1mc7 s GLY 27 Ca 0.34 0.36 -0.29 0.00 0.00 0.00 0.00 44.72 45.12 1mc7 s GLY 27 CO 0.17 3.29 1.41 1.39 0.00 0.00 0.00 173.10 179.36 1mc7 n ILE 28 N 5.16 1.72 -4.42 0.90 2.08 -1.26 -4.90 119.36 118.63 1mc7 n ILE 28 Ca 0.04 -0.43 -0.20 0.00 0.56 0.00 0.00 62.75 62.72 1mc7 n ILE 28 Cb 0.51 -1.74 -0.14 0.00 -0.75 0.00 0.00 39.64 37.52 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 -0.80 1.10 0.03 1.39 1.13 -0.53 -4.18 117.35 115.48 1mc7 s TYR 29 Ca 0.58 -0.28 -0.38 0.00 -1.41 0.00 0.00 57.07 55.58 1mc7 s TYR 29 Cb -0.54 -0.68 -0.17 0.00 -1.10 0.00 0.00 41.96 39.47 1mc7 s TYR 29 CO 0.59 0.00 1.33 1.51 -2.51 0.00 0.00 175.55 176.47 1mc7 n ILE 30 N 2.34 0.03 -0.15 -3.49 0.13 -1.07 -1.36 119.36 115.79 1mc7 n ILE 30 Ca -0.16 -0.00 -0.08 0.00 -1.10 0.00 0.00 62.75 61.40 1mc7 n ILE 30 Cb 0.55 -0.70 0.00 0.00 -0.84 0.00 0.00 39.64 38.66 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 4.51 0.70 0.00 4.50 0.00 0.17 -3.36 103.07 109.58 1mc7 h GLY 31 Ca -0.48 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.50 1mc7 h GLY 31 CO 0.77 0.33 0.00 1.44 0.00 0.00 0.00 176.54 179.08 1mc7 n SER 32 N -4.65 0.00 -4.06 0.19 7.64 -1.25 -4.63 113.62 106.87 1mc7 n SER 32 Ca 0.01 0.00 -0.23 0.00 1.01 0.00 0.00 58.87 59.66 1mc7 n SER 32 Cb 0.11 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.15 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 1.08 -0.91 0.44 1.09 -1.26 -3.53 121.20 116.11 1mc7 s ILE 33 Ca 0.00 -0.52 -0.24 0.00 -1.10 0.00 0.00 60.65 58.79 1mc7 s ILE 33 Cb 0.00 -0.95 -0.20 0.00 -1.06 0.00 0.00 42.46 40.25 1mc7 s ILE 33 CO 0.00 0.33 2.10 0.23 -0.10 0.00 0.00 174.94 177.50 1mc7 n MET 34 N 3.27 0.21 -1.28 2.79 2.81 -1.22 -4.84 117.12 118.85 1mc7 n MET 34 Ca -0.19 -1.26 -0.42 0.00 -1.81 0.00 0.00 57.70 54.02 1mc7 n MET 34 Cb 0.53 -3.51 -0.01 0.00 -0.71 0.00 0.00 33.22 29.52 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 7.90 0.00 -3.26 0.03 2.85 -1.26 -2.91 118.16 121.52 1mc7 n LYS 35 Ca 0.40 0.00 -0.10 0.00 -1.05 0.00 0.00 58.31 57.56 1mc7 n LYS 35 Cb 0.45 -0.96 0.03 0.00 -0.65 0.00 0.00 35.03 33.89 1mc7 n LYS 35 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1mc7 n GLY 36 N 2.15 -1.20 0.00 2.58 0.00 -1.26 -4.87 105.19 102.59 1mc7 n GLY 36 Ca 0.13 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.66 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 -1.60 3.86 0.00 -0.02 0.00 -1.14 -4.77 105.19 101.52 1mc7 n GLY 37 Ca -0.06 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 0.18 4.61 0.00 -1.26 -3.36 120.51 117.68 1mc7 n ALA 38 Ca 0.00 -0.04 0.07 0.00 0.00 0.00 0.00 53.44 53.47 1mc7 n ALA 38 Cb 0.00 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.55 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 0.44 -0.11 0.00 2.07 -1.92 -2.66 116.25 114.07 1mc7 h VAL 39 Ca 0.00 -1.61 -0.05 0.00 0.82 0.00 0.00 66.70 65.86 1mc7 h VAL 39 Cb 0.00 2.21 -0.00 0.00 -1.52 0.00 0.00 31.29 31.98 1mc7 h VAL 39 CO 0.00 0.25 -0.13 0.00 0.02 0.00 0.00 177.57 177.70 1mc7 h ALA 40 N 1.75 0.17 0.00 1.67 0.00 -1.79 -2.73 119.26 118.33 1mc7 h ALA 40 Ca -0.00 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1mc7 h ALA 40 Cb 1.19 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1mc7 h ALA 40 CO 0.03 0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.33 1mc7 n ALA 41 N -2.42 1.92 0.17 0.00 0.00 -1.21 0.63 120.51 119.60 1mc7 n ALA 41 Ca -0.07 0.01 -0.14 0.00 0.00 0.00 0.00 53.44 53.24 1mc7 n ALA 41 Cb 0.36 -1.39 -0.08 0.00 0.00 0.00 0.00 19.45 18.33 1mc7 n ALA 41 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1mc7 h ASP 42 N 0.00 -0.33 0.00 0.00 -0.00 -1.14 -3.41 116.42 111.54 1mc7 h ASP 42 Ca 0.00 -0.05 -0.18 0.00 -0.00 0.00 0.00 57.03 56.80 1mc7 h ASP 42 Cb 0.47 0.08 -0.14 0.00 -0.00 0.00 0.00 39.33 39.74 1mc7 h ASP 42 CO 0.00 -0.16 -0.25 0.61 -0.00 0.00 0.00 179.24 179.43 1mc7 n GLY 43 N -1.03 1.17 3.95 -0.78 0.00 -1.19 -5.00 105.19 102.31 1mc7 n GLY 43 Ca -0.10 -0.12 -0.30 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.79 -0.70 -0.93 1.61 1.74 0.21 -4.78 116.66 113.02 1mc7 n ARG 44 Ca -0.09 -0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.62 1mc7 n ARG 44 Cb 0.82 -2.24 0.07 0.00 -1.02 0.00 0.00 32.46 30.08 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 -3.93 0.00 -4.31 0.55 2.08 -1.24 -5.01 119.36 107.49 1mc7 n ILE 45 Ca -0.18 -0.25 -0.17 0.00 0.56 0.00 0.00 62.75 62.72 1mc7 n ILE 45 Cb 0.49 -0.16 -0.10 0.00 -0.75 0.00 0.00 39.64 39.11 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 -2.41 1.42 0.09 0.38 2.02 -1.26 -4.82 118.70 114.12 1mc7 s GLU 46 Ca 0.43 -1.77 -0.12 0.00 0.02 0.00 0.00 54.97 53.52 1mc7 s GLU 46 Cb -0.07 -0.23 -0.19 0.00 0.10 0.00 0.00 34.13 33.74 1mc7 s GLU 46 CO 0.73 -0.31 1.24 -1.00 0.02 0.00 0.00 175.26 175.93 1mc7 h PRO 47 N 2.37 0.71 -1.38 0.39 0.13 -1.82 -3.18 132.00 129.22 1mc7 h PRO 47 Ca -0.38 -0.69 -0.12 0.00 -0.87 0.00 0.00 66.00 63.94 1mc7 h PRO 47 Cb 1.25 0.18 -0.06 0.00 0.13 0.00 0.00 31.00 32.50 1mc7 h PRO 47 CO 0.60 1.28 0.15 0.41 -0.23 0.00 0.00 178.00 180.21 1mc7 n GLY 48 N 0.93 2.80 0.08 1.56 0.00 -1.26 -2.58 105.19 106.72 1mc7 n GLY 48 Ca -0.09 -0.32 -0.05 0.00 0.00 0.00 0.00 46.02 45.56 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 0.66 0.00 -1.99 1.61 -0.00 -1.84 -3.34 116.42 111.52 1mc7 h ASP 49 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.15 1mc7 h ASP 49 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.51 1mc7 h ASP 49 CO 0.26 0.87 0.00 0.80 -0.00 0.00 0.00 179.24 181.17 1mc7 n MET 50 N -3.27 0.00 -3.12 0.28 1.56 -1.25 -3.61 117.12 107.71 1mc7 n MET 50 Ca -0.02 0.00 -0.45 0.00 -0.27 0.00 0.00 57.70 56.96 1mc7 n MET 50 Cb 0.90 -2.33 -0.01 0.00 2.15 0.00 0.00 33.22 33.93 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 -1.99 5.70 0.00 -0.89 1.98 -1.26 -3.04 118.68 119.18 1mc7 s LEU 51 Ca 0.00 -2.95 0.00 0.00 -2.89 0.00 0.00 54.13 48.29 1mc7 s LEU 51 Cb 0.00 -2.31 0.00 0.00 0.66 0.00 0.00 46.19 44.54 1mc7 s LEU 51 CO 0.00 -0.64 0.54 0.00 -1.89 0.00 0.00 176.35 174.36 1mc7 n LEU 52 N 4.68 0.95 -4.12 -0.68 -0.00 -1.24 -4.21 117.00 112.38 1mc7 n LEU 52 Ca 0.27 -0.95 -0.17 0.00 -0.00 0.00 0.00 56.01 55.17 1mc7 n LEU 52 Cb 0.44 0.00 -0.12 0.00 -0.00 0.00 0.00 43.42 43.74 1mc7 n LEU 52 CO 0.51 0.24 -0.44 0.00 -0.00 0.00 0.00 177.39 177.70 1mc7 s GLN 53 N -0.27 0.72 0.08 1.47 -2.07 -1.01 -3.48 119.66 115.10 1mc7 s GLN 53 Ca 0.00 -0.83 0.03 0.00 -1.82 0.00 0.00 55.36 52.74 1mc7 s GLN 53 Cb 0.00 -0.64 -0.03 0.00 -1.09 0.00 0.00 33.01 31.25 1mc7 s GLN 53 CO 0.00 0.14 -0.10 0.08 -1.32 0.00 0.00 175.29 174.09 1mc7 s VAL 54 N -1.21 0.86 0.00 3.63 1.01 -1.13 0.23 120.40 123.79 1mc7 s VAL 54 Ca -0.04 -1.46 0.00 0.00 0.00 0.00 0.00 61.98 60.48 1mc7 s VAL 54 Cb -0.09 -1.14 0.00 0.00 0.00 0.00 0.00 36.38 35.14 1mc7 s VAL 54 CO 0.01 -0.48 0.00 -3.20 0.00 0.00 0.00 175.10 171.44 1mc7 n ASN 55 N 0.87 0.00 0.00 3.32 2.85 0.26 0.15 115.26 122.70 1mc7 n ASN 55 Ca -0.18 0.00 0.06 0.00 -0.11 0.00 0.00 54.58 54.35 1mc7 n ASN 55 Cb 0.56 0.00 0.38 0.00 1.24 0.00 0.00 39.78 41.97 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 -2.07 0.00 -4.87 1.20 -0.08 -1.26 -4.76 116.55 104.71 1mc7 n ASP 56 Ca 0.00 -1.55 -0.31 0.00 -1.51 0.00 0.00 54.79 51.42 1mc7 n ASP 56 Cb 0.00 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.42 1mc7 n ASP 56 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1mc7 s VAL 57 N -2.00 4.78 -0.37 5.18 1.01 0.39 -5.06 120.40 124.32 1mc7 s VAL 57 Ca 0.19 0.67 0.03 0.00 0.00 0.00 0.00 61.98 62.88 1mc7 s VAL 57 Cb 0.09 -3.68 0.16 0.00 0.00 0.00 0.00 36.38 32.94 1mc7 s VAL 57 CO 0.15 -0.36 0.38 0.20 0.00 0.00 0.00 175.10 175.47 1mc7 s ASN 58 N -2.80 1.20 -0.39 3.32 0.01 -1.26 -2.82 114.94 112.20 1mc7 s ASN 58 Ca 0.51 -1.66 -0.06 0.00 -0.71 0.00 0.00 52.86 50.95 1mc7 s ASN 58 Cb -0.10 0.52 -0.17 0.00 0.41 0.00 0.00 41.25 41.90 1mc7 s ASN 58 CO 0.26 -0.25 2.90 0.49 -1.51 0.00 0.00 177.10 178.98 1mc7 n PHE 59 N 4.16 0.58 0.00 2.20 3.72 -1.23 -4.57 117.46 122.33 1mc7 n PHE 59 Ca 0.12 -1.62 0.00 0.00 -0.05 0.00 0.00 57.45 55.90 1mc7 n PHE 59 Cb 0.45 -1.60 0.00 0.00 -0.94 0.00 0.00 39.48 37.39 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 2.97 0.00 -0.35 -1.08 -0.58 -1.26 -2.52 120.64 117.82 1mc7 n GLU 60 Ca 0.43 0.23 0.37 0.00 -0.42 0.00 0.00 57.16 57.77 1mc7 n GLU 60 Cb 0.58 -1.10 0.69 0.00 -0.57 0.00 0.00 31.44 31.04 1mc7 n GLU 60 CO 0.00 0.00 0.00 -2.95 -0.48 0.00 0.00 177.13 173.70 1mc7 h ASN 61 N 0.00 0.00 0.00 1.62 -1.07 -1.95 -2.46 115.58 111.72 1mc7 h ASN 61 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 1mc7 h ASN 61 Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 1mc7 h ASN 61 CO 0.00 0.00 0.00 0.23 0.07 0.00 0.00 177.43 177.73 1mc7 n MET 62 N -3.81 0.00 -3.74 4.14 2.81 -1.15 -4.78 117.12 110.60 1mc7 n MET 62 Ca 0.28 0.06 -0.21 0.00 -1.81 0.00 0.00 57.70 56.02 1mc7 n MET 62 Cb 1.45 -0.87 -0.07 0.00 -0.71 0.00 0.00 33.22 33.03 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 -0.43 0.65 -1.67 7.83 2.88 -0.93 -4.71 113.62 117.24 1mc7 n SER 63 Ca 0.00 -0.87 -0.12 0.00 -1.33 0.00 0.00 58.87 56.55 1mc7 n SER 63 Cb 0.00 -1.08 0.12 0.00 -0.75 0.00 0.00 64.21 62.49 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 -1.87 3.47 -2.57 -3.46 2.85 -1.26 -4.83 115.26 107.58 1mc7 n ASN 64 Ca -0.22 -2.89 -0.04 0.00 -0.11 0.00 0.00 54.58 51.32 1mc7 n ASN 64 Cb 0.48 -0.69 -0.01 0.00 1.24 0.00 0.00 39.78 40.80 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 -0.37 -1.02 -1.02 1.20 4.64 -1.26 -4.43 116.55 114.30 1mc7 n ASP 65 Ca 0.33 0.32 -0.04 0.00 -1.38 0.00 0.00 54.79 54.01 1mc7 n ASP 65 Cb 1.14 -1.00 -0.03 0.00 -1.04 0.00 0.00 41.12 40.20 1mc7 n ASP 65 CO 0.00 0.00 0.00 0.47 -0.82 0.00 0.00 177.20 176.85 1mc7 n ASP 66 N -1.49 -0.71 0.16 1.67 9.92 -1.26 -4.79 116.55 120.05 1mc7 n ASP 66 Ca 0.01 -1.40 0.11 0.00 -0.53 0.00 0.00 54.79 52.99 1mc7 n ASP 66 Cb 0.47 0.23 0.59 0.00 -0.64 0.00 0.00 41.12 41.77 1mc7 n ASP 66 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1mc7 n ALA 67 N -0.13 1.09 -0.30 2.24 0.00 -1.26 -1.35 120.51 120.79 1mc7 n ALA 67 Ca -0.18 0.20 -0.02 0.00 0.00 0.00 0.00 53.44 53.44 1mc7 n ALA 67 Cb 0.58 -1.33 0.10 0.00 0.00 0.00 0.00 19.45 18.80 1mc7 n ALA 67 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1mc7 h VAL 68 N 0.00 1.14 -0.82 0.00 2.07 -1.96 0.35 116.25 117.03 1mc7 h VAL 68 Ca 0.00 -0.36 0.24 0.00 0.82 0.00 0.00 66.70 67.40 1mc7 h VAL 68 Cb 0.03 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 29.77 1mc7 h VAL 68 CO 0.00 0.19 1.02 -0.09 0.02 0.00 0.00 177.57 178.71 1mc7 h ARG 69 N 1.05 0.00 0.00 1.57 2.43 -1.64 1.01 114.38 118.79 1mc7 h ARG 69 Ca 0.33 0.00 -0.24 0.00 -0.81 0.00 0.00 59.98 59.26 1mc7 h ARG 69 Cb -0.01 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.51 1mc7 h ARG 69 CO -0.11 0.00 -1.83 0.28 -1.51 0.00 0.00 179.97 176.80 1mc7 n VAL 70 N -3.29 0.82 -0.34 0.20 0.31 -0.26 -4.39 118.33 111.39 1mc7 n VAL 70 Ca 0.18 -0.25 0.12 0.00 -0.01 0.00 0.00 64.34 64.38 1mc7 n VAL 70 Cb 1.28 -1.44 0.31 0.00 -0.91 0.00 0.00 33.84 33.08 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 -0.34 0.69 -1.78 7.52 5.85 0.18 1.49 115.31 128.92 1mc7 h LEU 71 Ca -0.36 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.47 1mc7 h LEU 71 Cb 1.39 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.42 1mc7 h LEU 71 CO -0.16 0.22 0.00 -0.09 -0.34 0.00 0.00 178.44 178.07 1mc7 h ARG 72 N 0.69 0.00 0.00 1.25 2.43 0.71 -0.63 114.38 118.83 1mc7 h ARG 72 Ca 0.56 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.73 1mc7 h ARG 72 Cb 0.91 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.46 1mc7 h ARG 72 CO -0.40 0.00 0.00 1.05 -1.51 0.00 0.00 179.97 179.11 1mc7 h GLU 73 N 0.00 0.00 0.00 0.20 4.11 0.19 -3.07 114.58 116.02 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 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 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 -3.06 0.00 -0.35 -1.06 2.08 -0.24 -1.34 119.36 115.39 1mc7 n ILE 74 Ca 0.04 0.25 0.32 0.00 0.56 0.00 0.00 62.75 63.92 1mc7 n ILE 74 Cb 0.52 -0.91 0.58 0.00 -0.75 0.00 0.00 39.64 39.08 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 -0.34 0.14 1.39 0.24 -1.25 0.80 118.33 119.31 1mc7 n VAL 75 Ca 0.00 1.82 -0.16 0.00 -2.04 0.00 0.00 64.34 63.96 1mc7 n VAL 75 Cb 0.00 -2.97 -0.10 0.00 -1.47 0.00 0.00 33.84 29.30 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 -1.52 0.00 -1.34 0.87 -1.62 -3.42 113.55 106.51 1mc7 h SER 76 Ca 0.80 0.15 0.00 0.00 -1.23 0.00 0.00 61.79 61.52 1mc7 h SER 76 Cb 2.28 0.55 0.00 0.00 -0.44 0.00 0.00 62.40 64.79 1mc7 h SER 76 CO -0.62 -0.56 0.00 0.00 -0.53 0.00 0.00 176.83 175.11 1mc7 n GLN 77 N -5.40 0.00 -0.14 2.24 6.02 0.24 -5.07 117.38 115.26 1mc7 n GLN 77 Ca -0.09 0.00 -0.06 0.00 -0.01 0.00 0.00 57.00 56.84 1mc7 n GLN 77 Cb 0.41 0.00 0.06 0.00 1.02 0.00 0.00 30.24 31.73 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 -1.23 5.09 -2.24 -1.24 -4.76 114.28 109.89 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 -0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.03 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 -0.82 -4.04 3.78 3.38 0.00 -1.26 -3.94 105.19 102.29 1mc7 n GLY 79 Ca 0.03 -0.48 -0.37 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.89 4.15 0.46 1.61 0.04 -1.26 -4.31 135.00 133.80 1mc7 s PRO 80 Ca 0.00 1.53 -0.22 0.00 0.04 0.00 0.00 61.00 62.34 1mc7 s PRO 80 Cb 0.00 -2.54 -0.08 0.00 0.04 0.00 0.00 34.50 31.92 1mc7 s PRO 80 CO 0.00 -0.16 1.08 0.42 0.04 0.00 0.00 177.00 178.39 1mc7 s ILE 81 N -1.65 3.52 0.00 0.56 1.01 -1.26 -4.40 121.20 118.98 1mc7 s ILE 81 Ca 0.58 1.07 0.00 0.00 0.00 0.00 0.00 60.65 62.30 1mc7 s ILE 81 Cb -0.22 -3.51 0.00 0.00 0.01 0.00 0.00 42.46 38.74 1mc7 s ILE 81 CO 0.28 -0.08 0.00 -1.20 0.00 0.00 0.00 174.94 173.93 1mc7 n SER 82 N -0.57 0.00 -3.22 3.58 7.64 -1.26 -4.72 113.62 115.06 1mc7 n SER 82 Ca 0.08 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.66 1mc7 n SER 82 Cb 0.50 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.71 1mc7 n SER 82 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1mc7 n LEU 83 N 0.00 -3.22 -3.84 -3.43 4.77 -1.26 0.91 117.00 110.93 1mc7 n LEU 83 Ca 0.00 0.42 -0.12 0.00 -0.03 0.00 0.00 56.01 56.28 1mc7 n LEU 83 Cb 0.00 -0.64 -0.13 0.00 -2.33 0.00 0.00 43.42 40.32 1mc7 n LEU 83 CO 0.00 -3.89 -0.26 -0.89 -1.33 0.00 0.00 177.39 171.02 1mc7 s THR 84 N -1.54 0.00 0.05 -5.08 2.01 0.62 -3.83 115.64 107.88 1mc7 s THR 84 Ca 0.41 -0.03 0.01 0.00 0.31 0.00 0.00 61.69 62.39 1mc7 s THR 84 Cb -0.33 -0.14 -0.03 0.00 0.01 0.00 0.00 72.50 72.01 1mc7 s THR 84 CO 0.54 -0.02 -0.06 0.68 -0.69 0.00 0.00 174.62 175.07 1mc7 s VAL 85 N -0.00 0.45 -0.49 3.82 -7.23 -1.26 -2.39 120.40 113.29 1mc7 s VAL 85 Ca -0.01 -1.35 0.02 0.00 -1.81 0.00 0.00 61.98 58.84 1mc7 s VAL 85 Cb -0.01 -0.91 0.47 0.00 0.56 0.00 0.00 36.38 36.49 1mc7 s VAL 85 CO 0.00 -0.60 1.69 0.00 -0.31 0.00 0.00 175.10 175.88 1mc7 n ALA 86 N 0.95 5.65 -1.08 1.32 0.00 -1.17 -1.82 120.51 124.37 1mc7 n ALA 86 Ca -0.19 -3.51 0.13 0.00 0.00 0.00 0.00 53.44 49.86 1mc7 n ALA 86 Cb 0.57 -1.17 -0.04 0.00 0.00 0.00 0.00 19.45 18.81 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 -0.89 -2.05 0.00 0.00 3.00 -1.24 -4.99 118.16 112.00 1mc7 n LYS 87 Ca 0.53 1.47 0.00 0.00 -0.00 0.00 0.00 58.31 60.31 1mc7 n LYS 87 Cb 0.87 -2.58 0.00 0.00 0.00 0.00 0.00 35.03 33.32 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 -2.45 0.00 -1.55 3.14 0.00 -1.25 -4.57 120.51 113.83 1mc7 n ALA 88 Ca -0.01 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.16 1mc7 n ALA 88 Cb 0.62 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.02 1mc7 n ALA 88 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 1mc7 n TRP 89 N 0.00 1.29 -4.59 0.00 7.02 -1.26 -4.72 117.44 115.17 1mc7 n TRP 89 Ca 0.00 0.06 -0.34 0.00 -1.02 0.00 0.00 57.50 56.21 1mc7 n TRP 89 Cb 0.00 -2.60 -0.12 0.00 -2.42 0.00 0.00 31.31 26.16 1mc7 n TRP 89 CO 0.00 0.00 0.00 0.16 -2.02 0.00 0.00 177.69 175.83 1mc7 s ASP 90 N 11.51 4.53 -0.73 -0.99 -4.77 -1.26 -5.00 116.67 119.95 1mc7 s ASP 90 Ca 0.97 -0.14 -0.06 0.00 -3.30 0.00 0.00 52.55 50.02 1mc7 s ASP 90 Cb -0.18 -1.49 -0.12 0.00 -1.09 0.00 0.00 42.92 40.04 1mc7 s ASP 90 CO 0.19 0.24 2.62 -0.81 0.70 0.00 0.00 175.17 178.11 1mc7 n PRO 91 N 3.02 2.26 -2.88 2.11 -0.04 -1.26 -4.70 135.00 133.50 1mc7 n PRO 91 Ca -0.18 -1.36 -0.20 0.00 -0.04 0.00 0.00 63.50 61.72 1mc7 n PRO 91 Cb 0.53 -2.31 0.01 0.00 -0.04 0.00 0.00 33.50 31.69 1mc7 n PRO 91 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1mc7 n THR 92 N 3.41 -2.17 -1.52 0.52 5.66 -1.26 -4.90 114.28 114.03 1mc7 n THR 92 Ca 0.48 0.02 -0.30 0.00 -3.05 0.00 0.00 64.05 61.20 1mc7 n THR 92 Cb 0.38 -1.96 0.21 0.00 -1.55 0.00 0.00 70.33 67.41 1mc7 n THR 92 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 1mc7 s PRO 93 N -2.55 -0.22 0.86 1.09 0.04 -1.26 -5.05 135.00 127.91 1mc7 s PRO 93 Ca 0.13 -0.23 -0.12 0.00 0.04 0.00 0.00 61.00 60.83 1mc7 s PRO 93 Cb -0.01 -1.73 0.11 0.00 0.04 0.00 0.00 34.50 32.91 1mc7 s PRO 93 CO 0.54 -3.02 1.11 -0.98 0.04 0.00 0.00 177.00 174.70 1mc7 s ARG 94 N -5.64 1.57 0.00 4.56 1.70 -1.26 -5.00 118.95 114.88 1mc7 s ARG 94 Ca 0.72 0.49 0.00 0.00 -0.47 0.00 0.00 55.73 56.47 1mc7 s ARG 94 Cb -0.07 -1.87 0.00 0.00 -0.57 0.00 0.00 34.95 32.44 1mc7 s ARG 94 CO 0.54 -1.94 0.11 0.43 -1.08 0.00 0.00 175.30 173.36