#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 0.06 -3.82 1.08 0.31 -1.26 -4.78 118.33 109.92 1mc7 n VAL 2 Ca 0.00 -0.01 -0.29 0.00 -0.01 0.00 0.00 64.34 64.02 1mc7 n VAL 2 Cb 0.00 -0.57 -0.16 0.00 -0.91 0.00 0.00 33.84 32.21 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 0.30 1.04 0.51 2.52 2.01 -1.26 -4.31 115.64 116.45 1mc7 s THR 3 Ca 0.86 -1.10 0.05 0.00 0.31 0.00 0.00 61.69 61.80 1mc7 s THR 3 Cb -1.04 -1.54 0.04 0.00 0.01 0.00 0.00 72.50 69.96 1mc7 s THR 3 CO 0.50 -0.32 0.71 -1.48 -0.69 0.00 0.00 174.62 173.34 1mc7 s LEU 4 N 1.59 3.39 0.93 4.42 2.34 -1.26 -5.08 118.68 125.01 1mc7 s LEU 4 Ca 0.01 -0.28 -0.11 0.00 0.06 0.00 0.00 54.13 53.81 1mc7 s LEU 4 Cb -0.18 -2.60 0.15 0.00 -0.56 0.00 0.00 46.19 43.00 1mc7 s LEU 4 CO -0.12 -1.06 1.10 0.21 -1.06 0.00 0.00 176.35 175.42 1mc7 s ASN 5 N -4.44 2.98 1.01 1.48 2.47 -1.26 -4.78 114.94 112.40 1mc7 s ASN 5 Ca 0.57 1.82 -0.17 0.00 0.42 0.00 0.00 52.86 55.51 1mc7 s ASN 5 Cb -0.09 -2.41 0.21 0.00 -1.45 0.00 0.00 41.25 37.51 1mc7 s ASN 5 CO 0.37 -3.00 1.27 -0.04 -3.72 0.00 0.00 177.10 171.97 1mc7 s MET 6 N -4.73 0.26 0.00 0.43 -1.94 -1.26 -4.95 119.30 107.12 1mc7 s MET 6 Ca 0.65 -0.30 0.00 0.00 -1.71 0.00 0.00 55.69 54.33 1mc7 s MET 6 Cb -0.21 -1.79 0.00 0.00 2.01 0.00 0.00 34.83 34.84 1mc7 s MET 6 CO 0.59 -2.68 0.00 0.39 -0.01 0.00 0.00 175.02 173.30 1mc7 n GLU 7 N -3.98 0.00 -2.59 2.03 -0.58 -1.26 -5.09 120.64 109.17 1mc7 n GLU 7 Ca 0.14 0.00 -0.02 0.00 -0.42 0.00 0.00 57.16 56.86 1mc7 n GLU 7 Cb 0.59 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.47 1mc7 n GLU 7 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1mc7 n ARG 8 N 0.00 -2.75 -4.16 3.49 1.74 -1.26 -5.07 116.66 108.65 1mc7 n ARG 8 Ca 0.00 2.32 -0.26 0.00 -0.77 0.00 0.00 57.85 59.14 1mc7 n ARG 8 Cb 0.00 -4.93 -0.06 0.00 -1.02 0.00 0.00 32.46 26.46 1mc7 n ARG 8 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 1mc7 n HIS 9 N 0.31 0.84 -0.05 -1.55 -0.00 -1.26 -5.10 115.22 108.41 1mc7 n HIS 9 Ca 0.03 -2.07 -0.03 0.00 0.46 0.00 0.00 57.72 56.11 1mc7 n HIS 9 Cb 0.13 -0.23 -0.01 0.00 -0.12 0.00 0.00 29.99 29.75 1mc7 n HIS 9 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 1mc7 n HIS 10 N -0.99 0.45 -1.34 1.57 -0.00 -1.26 -4.80 115.22 108.85 1mc7 n HIS 10 Ca -0.15 0.20 -0.38 0.00 0.46 0.00 0.00 57.72 57.84 1mc7 n HIS 10 Cb 0.52 -0.51 0.03 0.00 -0.12 0.00 0.00 29.99 29.91 1mc7 n HIS 10 CO 0.00 0.00 0.00 1.19 0.46 0.00 0.00 176.34 177.99 1mc7 n PHE 11 N -3.71 -1.86 0.00 1.57 3.01 -1.26 -4.78 117.46 110.43 1mc7 n PHE 11 Ca -0.05 0.42 0.00 0.00 1.01 0.00 0.00 57.45 58.83 1mc7 n PHE 11 Cb 0.20 -1.81 0.00 0.00 -0.01 0.00 0.00 39.48 37.86 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 1.45 0.00 -2.00 4.37 4.77 -1.26 -4.73 117.00 119.59 1mc7 n LEU 12 Ca 0.09 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 56.04 1mc7 n LEU 12 Cb 0.48 0.01 0.01 0.00 -2.33 0.00 0.00 43.42 41.59 1mc7 n LEU 12 CO 0.52 -0.01 0.04 0.61 -1.33 0.00 0.00 177.39 177.22 1mc7 n GLY 13 N -1.02 -0.02 3.66 -0.72 0.00 -1.26 -4.60 105.19 101.23 1mc7 n GLY 13 Ca 0.00 -0.01 -0.28 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.08 1.89 0.05 -0.61 -5.25 -1.26 -3.28 121.20 109.66 1mc7 s ILE 14 Ca 0.09 -1.95 -0.28 0.00 -0.99 0.00 0.00 60.65 57.52 1mc7 s ILE 14 Cb -0.01 -2.84 0.09 0.00 2.95 0.00 0.00 42.46 42.65 1mc7 s ILE 14 CO 0.22 0.00 0.94 -0.44 -1.79 0.00 0.00 174.94 173.87 1mc7 s SER 15 N -3.77 -0.27 0.41 4.36 0.01 -1.25 -4.99 113.70 108.19 1mc7 s SER 15 Ca 0.31 -0.16 0.06 0.00 1.31 0.00 0.00 55.95 57.47 1mc7 s SER 15 Cb 0.08 0.41 -0.07 0.00 0.21 0.00 0.00 66.02 66.64 1mc7 s SER 15 CO 0.16 -0.71 0.02 0.27 0.41 0.00 0.00 173.24 173.39 1mc7 s ILE 16 N -3.14 1.81 0.21 1.44 -5.25 -1.26 0.94 121.20 115.95 1mc7 s ILE 16 Ca 0.08 -2.00 -0.22 0.00 -0.99 0.00 0.00 60.65 57.52 1mc7 s ILE 16 Cb -0.01 -2.90 0.06 0.00 2.95 0.00 0.00 42.46 42.56 1mc7 s ILE 16 CO -0.04 0.00 0.94 0.54 -1.79 0.00 0.00 174.94 174.58 1mc7 s VAL 17 N -2.81 0.00 0.00 8.37 0.11 0.98 -4.03 120.40 123.02 1mc7 s VAL 17 Ca 0.33 -0.72 0.00 0.00 -2.93 0.00 0.00 61.98 58.65 1mc7 s VAL 17 Cb 0.09 -2.37 0.00 0.00 -1.53 0.00 0.00 36.38 32.57 1mc7 s VAL 17 CO 0.16 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.54 1mc7 n GLY 18 N -0.54 5.14 0.00 6.54 0.00 -1.26 -0.65 105.19 114.41 1mc7 n GLY 18 Ca -0.05 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.26 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 -1.98 1.61 7.27 -1.26 -4.92 117.38 118.10 1mc7 n GLN 19 Ca 0.00 0.00 -0.31 0.00 0.07 0.00 0.00 57.00 56.76 1mc7 n GLN 19 Cb 0.00 0.00 -0.04 0.00 2.41 0.00 0.00 30.24 32.61 1mc7 n GLN 19 CO 0.00 0.00 0.00 -1.12 0.07 0.00 0.00 177.06 176.01 1mc7 s SER 20 N 0.00 5.07 -0.15 1.69 0.01 -1.26 -4.66 113.70 114.40 1mc7 s SER 20 Ca 0.00 -0.09 -0.11 0.00 1.31 0.00 0.00 55.95 57.05 1mc7 s SER 20 Cb 0.00 -2.54 -0.06 0.00 0.21 0.00 0.00 66.02 63.62 1mc7 s SER 20 CO 0.00 -2.68 -0.25 -3.20 0.41 0.00 0.00 173.24 167.52 1mc7 n ASN 21 N 13.91 1.55 -5.00 2.44 5.15 -1.26 -5.04 115.26 127.01 1mc7 n ASN 21 Ca 0.32 0.26 -0.17 0.00 -0.60 0.00 0.00 54.58 54.39 1mc7 n ASN 21 Cb 0.49 -0.60 0.01 0.00 -0.53 0.00 0.00 39.78 39.14 1mc7 n ASN 21 CO 0.00 0.00 0.00 1.51 1.40 0.00 0.00 177.26 180.17 1mc7 s ASP 22 N -6.36 5.65 0.25 1.20 1.47 -1.26 -5.04 116.67 112.57 1mc7 s ASP 22 Ca -0.24 -0.42 -0.29 0.00 1.18 0.00 0.00 52.55 52.78 1mc7 s ASP 22 Cb 0.07 -0.70 -0.15 0.00 -0.34 0.00 0.00 42.92 41.80 1mc7 s ASP 22 CO 0.33 -0.73 0.90 0.54 0.68 0.00 0.00 175.17 176.89 1mc7 n ARG 23 N -1.81 0.97 0.00 2.11 1.74 -1.26 -4.65 116.66 113.76 1mc7 n ARG 23 Ca 0.07 0.34 0.00 0.00 -0.77 0.00 0.00 57.85 57.49 1mc7 n ARG 23 Cb 0.59 -1.63 0.00 0.00 -1.02 0.00 0.00 32.46 30.40 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 1.50 0.60 2.92 -0.13 0.00 -1.26 -4.89 105.19 103.92 1mc7 n GLY 24 Ca 0.12 -0.55 -0.01 0.00 0.00 0.00 0.00 46.02 45.58 1mc7 n GLY 24 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1mc7 n ASP 25 N -3.23 -6.27 0.03 1.61 9.92 -1.26 -4.81 116.55 112.55 1mc7 n ASP 25 Ca 0.00 1.00 0.00 0.00 -0.53 0.00 0.00 54.79 55.26 1mc7 n ASP 25 Cb 0.00 -3.45 0.00 0.00 -0.64 0.00 0.00 41.12 37.03 1mc7 n ASP 25 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1mc7 n GLY 26 N 1.35 -0.06 3.04 0.44 0.00 -1.26 -4.76 105.19 103.94 1mc7 n GLY 26 Ca -0.07 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.73 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 2.12 0.11 3.51 -0.02 0.00 -1.26 -4.68 105.19 104.98 1mc7 n GLY 27 Ca 0.00 0.65 -0.49 0.00 0.00 0.00 0.00 46.02 46.18 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 0.31 1.36 -4.51 -0.61 2.08 -1.26 -4.95 119.36 111.78 1mc7 n ILE 28 Ca -0.05 -0.34 -0.28 0.00 0.56 0.00 0.00 62.75 62.64 1mc7 n ILE 28 Cb 0.54 -0.50 -0.13 0.00 -0.75 0.00 0.00 39.64 38.79 1mc7 n ILE 28 CO 0.00 0.00 0.00 -0.31 0.56 0.00 0.00 176.55 176.80 1mc7 s TYR 29 N -0.61 2.12 0.03 1.39 1.51 0.18 -4.19 117.35 117.77 1mc7 s TYR 29 Ca 0.69 -0.39 -0.36 0.00 -1.01 0.00 0.00 57.07 56.00 1mc7 s TYR 29 Cb -0.90 -1.19 -0.15 0.00 -0.11 0.00 0.00 41.96 39.61 1mc7 s TYR 29 CO 0.56 0.23 1.57 1.51 -1.11 0.00 0.00 175.55 178.31 1mc7 n ILE 30 N 1.27 0.15 -0.06 2.71 0.13 -0.76 -0.01 119.36 122.78 1mc7 n ILE 30 Ca -0.18 -0.03 -0.08 0.00 -1.10 0.00 0.00 62.75 61.37 1mc7 n ILE 30 Cb 0.53 -1.30 -0.01 0.00 -0.84 0.00 0.00 39.64 38.01 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 6.22 0.24 0.00 4.50 0.00 0.43 -3.36 103.07 111.09 1mc7 h GLY 31 Ca -0.47 0.03 0.00 0.00 0.00 0.00 0.00 47.33 46.89 1mc7 h GLY 31 CO 0.87 -0.05 0.00 -1.14 0.00 0.00 0.00 176.54 176.22 1mc7 n SER 32 N -5.15 0.00 -4.04 0.19 3.41 -1.25 -4.65 113.62 102.13 1mc7 n SER 32 Ca -0.01 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.34 1mc7 n SER 32 Cb 0.13 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 63.91 1mc7 n SER 32 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1mc7 s ILE 33 N -2.00 1.26 0.60 -1.33 1.09 -1.26 -3.76 121.20 115.80 1mc7 s ILE 33 Ca 0.00 -0.54 0.30 0.00 -1.10 0.00 0.00 60.65 59.31 1mc7 s ILE 33 Cb 0.00 -1.15 0.44 0.00 -1.06 0.00 0.00 42.46 40.69 1mc7 s ILE 33 CO 0.00 0.39 1.42 0.24 -0.10 0.00 0.00 174.94 176.88 1mc7 h MET 34 N 7.08 0.00 -0.45 2.79 2.86 -1.80 -3.43 114.93 121.98 1mc7 h MET 34 Ca -0.30 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.24 1mc7 h MET 34 Cb 1.19 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.82 1mc7 h MET 34 CO 0.47 0.00 -0.11 1.17 1.06 0.00 0.00 176.91 179.50 1mc7 n LYS 35 N -3.40 -0.39 -2.75 1.72 4.81 -1.26 -4.94 118.16 111.94 1mc7 n LYS 35 Ca 0.24 0.52 -0.00 0.00 -0.87 0.00 0.00 58.31 58.20 1mc7 n LYS 35 Cb 1.48 -4.27 0.01 0.00 0.02 0.00 0.00 35.03 32.27 1mc7 n LYS 35 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 1mc7 s GLY 36 N -2.87 -1.65 0.00 3.14 0.00 -1.26 -4.66 107.32 100.02 1mc7 s GLY 36 Ca 0.00 0.97 0.00 0.00 0.00 0.00 0.00 44.72 45.69 1mc7 s GLY 36 CO 0.00 4.27 0.00 0.61 0.00 0.00 0.00 173.10 177.98 1mc7 n GLY 37 N 3.34 0.57 0.00 0.20 0.00 -1.26 -4.82 105.19 103.22 1mc7 n GLY 37 Ca 0.08 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.54 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 -3.40 120.51 117.68 1mc7 n ALA 38 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 1mc7 n ALA 38 Cb 0.00 0.00 0.46 0.00 0.00 0.00 0.00 19.45 19.91 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 0.65 -0.03 0.00 2.07 -1.96 -2.83 116.25 114.15 1mc7 h VAL 39 Ca 0.00 -1.16 -0.00 0.00 0.82 0.00 0.00 66.70 66.36 1mc7 h VAL 39 Cb 0.00 1.76 -0.00 0.00 -1.52 0.00 0.00 31.29 31.53 1mc7 h VAL 39 CO 0.00 0.25 0.01 0.00 0.02 0.00 0.00 177.57 177.85 1mc7 h ALA 40 N 1.75 0.03 0.00 1.67 0.00 -1.91 -1.24 119.26 119.56 1mc7 h ALA 40 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1mc7 h ALA 40 Cb 0.74 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1mc7 h ALA 40 CO 0.03 -0.40 0.00 0.00 0.00 0.00 0.00 179.25 178.89 1mc7 h ALA 41 N 0.87 1.00 0.05 0.00 0.00 -1.54 0.29 119.26 119.93 1mc7 h ALA 41 Ca 0.01 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1mc7 h ALA 41 Cb 0.14 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1mc7 h ALA 41 CO -0.00 0.00 -0.13 0.22 0.00 0.00 0.00 179.25 179.34 1mc7 h ASP 42 N 0.00 -0.37 0.00 0.00 3.58 -0.98 -3.42 116.42 115.23 1mc7 h ASP 42 Ca 0.00 0.05 -0.05 0.00 0.42 0.00 0.00 57.03 57.45 1mc7 h ASP 42 Cb 0.29 0.15 -0.07 0.00 1.72 0.00 0.00 39.33 41.42 1mc7 h ASP 42 CO 0.00 -0.19 0.21 0.61 -2.88 0.00 0.00 179.24 176.99 1mc7 n GLY 43 N -1.26 -0.99 3.96 -0.78 0.00 -1.07 -5.01 105.19 100.04 1mc7 n GLY 43 Ca -0.06 -0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.41 -0.63 -0.90 1.61 3.00 0.10 -4.81 116.66 114.62 1mc7 n ARG 44 Ca -0.25 0.23 -0.36 0.00 -0.01 0.00 0.00 57.85 57.47 1mc7 n ARG 44 Cb 0.60 -2.15 0.08 0.00 0.00 0.00 0.00 32.46 30.99 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 -4.06 0.00 -4.14 0.55 2.08 -1.26 -4.92 119.36 107.61 1mc7 n ILE 45 Ca -0.17 -0.25 -0.24 0.00 0.56 0.00 0.00 62.75 62.66 1mc7 n ILE 45 Cb 0.56 -0.22 -0.07 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 -2.56 2.29 0.11 0.38 2.02 -1.26 -4.66 118.70 115.02 1mc7 s GLU 46 Ca 0.45 -1.65 -0.09 0.00 0.02 0.00 0.00 54.97 53.70 1mc7 s GLU 46 Cb -0.08 -2.09 -0.13 0.00 0.10 0.00 0.00 34.13 31.94 1mc7 s GLU 46 CO 0.72 0.06 1.29 -1.00 0.02 0.00 0.00 175.26 176.34 1mc7 h PRO 47 N 1.56 0.59 -0.83 0.39 0.13 -1.83 -3.07 132.00 128.95 1mc7 h PRO 47 Ca -0.43 -0.57 0.00 0.00 -0.87 0.00 0.00 66.00 64.13 1mc7 h PRO 47 Cb 1.25 0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.53 1mc7 h PRO 47 CO 0.65 1.19 0.00 0.41 -0.23 0.00 0.00 178.00 180.02 1mc7 n GLY 48 N 0.87 2.01 0.28 1.56 0.00 -1.26 -1.83 105.19 106.81 1mc7 n GLY 48 Ca -0.08 -0.34 0.14 0.00 0.00 0.00 0.00 46.02 45.74 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 1.49 0.00 -2.35 1.61 -0.00 -1.85 -3.42 116.42 111.91 1mc7 h ASP 49 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.03 57.00 1mc7 h ASP 49 Cb 1.03 0.00 0.02 0.00 -0.00 0.00 0.00 39.33 40.38 1mc7 h ASP 49 CO 0.18 0.06 -0.08 0.80 -0.00 0.00 0.00 179.24 180.21 1mc7 n MET 50 N -3.72 -0.66 -3.03 0.28 0.00 -1.26 -4.14 117.12 104.60 1mc7 n MET 50 Ca -0.02 0.08 -0.44 0.00 -0.00 0.00 0.00 57.70 57.32 1mc7 n MET 50 Cb 0.16 -2.84 -0.01 0.00 0.00 0.00 0.00 33.22 30.53 1mc7 n MET 50 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 175.97 174.80 1mc7 s LEU 51 N -2.42 5.40 0.00 -0.89 1.98 -1.26 -2.78 118.68 118.71 1mc7 s LEU 51 Ca 0.00 -2.58 0.00 0.00 -2.89 0.00 0.00 54.13 48.66 1mc7 s LEU 51 Cb -0.00 -2.36 0.00 0.00 0.66 0.00 0.00 46.19 44.49 1mc7 s LEU 51 CO 0.07 -0.82 0.54 0.00 -1.89 0.00 0.00 176.35 174.25 1mc7 n LEU 52 N 5.55 0.93 -4.12 -0.68 -0.00 -1.23 -4.24 117.00 113.21 1mc7 n LEU 52 Ca 0.27 -0.93 -0.13 0.00 -0.00 0.00 0.00 56.01 55.22 1mc7 n LEU 52 Cb 0.46 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.77 1mc7 n LEU 52 CO 0.52 0.23 -0.41 0.00 -0.00 0.00 0.00 177.39 177.73 1mc7 s GLN 53 N -0.28 0.70 0.05 1.47 -2.07 -0.95 -3.23 119.66 115.35 1mc7 s GLN 53 Ca 0.00 -1.01 0.00 0.00 -1.82 0.00 0.00 55.36 52.53 1mc7 s GLN 53 Cb 0.00 -0.37 -0.03 0.00 -1.09 0.00 0.00 33.01 31.52 1mc7 s GLN 53 CO 0.00 0.05 -0.04 0.08 -1.32 0.00 0.00 175.29 174.06 1mc7 s VAL 54 N -2.18 0.33 0.00 3.63 1.01 -1.18 0.23 120.40 122.24 1mc7 s VAL 54 Ca -0.00 -1.47 0.00 0.00 0.00 0.00 0.00 61.98 60.50 1mc7 s VAL 54 Cb -0.05 -1.07 0.00 0.00 0.00 0.00 0.00 36.38 35.27 1mc7 s VAL 54 CO -0.01 -0.74 0.00 -3.20 0.00 0.00 0.00 175.10 171.15 1mc7 n ASN 55 N 0.70 0.00 -0.29 3.32 5.15 0.19 0.15 115.26 124.48 1mc7 n ASN 55 Ca -0.18 0.00 0.03 0.00 -0.60 0.00 0.00 54.58 53.83 1mc7 n ASN 55 Cb 0.58 0.00 0.09 0.00 -0.53 0.00 0.00 39.78 39.93 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 -1.36 0.85 -4.91 1.20 5.75 -1.26 -4.77 116.55 112.05 1mc7 n ASP 56 Ca 0.00 -1.97 -0.27 0.00 -0.01 0.00 0.00 54.79 52.54 1mc7 n ASP 56 Cb 0.00 -0.10 -0.01 0.00 -1.03 0.00 0.00 41.12 39.98 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 -1.79 4.97 -0.39 2.12 1.01 0.39 -5.07 120.40 121.63 1mc7 s VAL 57 Ca 0.12 0.04 0.04 0.00 0.00 0.00 0.00 61.98 62.18 1mc7 s VAL 57 Cb 0.06 -3.84 0.16 0.00 0.00 0.00 0.00 36.38 32.77 1mc7 s VAL 57 CO 0.08 -0.69 0.45 0.20 0.00 0.00 0.00 175.10 175.14 1mc7 s ASN 58 N -3.91 0.51 -0.54 3.32 0.01 -1.26 -3.11 114.94 109.96 1mc7 s ASN 58 Ca 0.45 -1.58 -0.06 0.00 -0.71 0.00 0.00 52.86 50.96 1mc7 s ASN 58 Cb -0.10 0.84 -0.17 0.00 0.41 0.00 0.00 41.25 42.22 1mc7 s ASN 58 CO 0.40 -0.22 3.00 0.49 -1.51 0.00 0.00 177.10 179.26 1mc7 n PHE 59 N 4.05 0.80 0.05 2.20 3.72 -1.20 -4.42 117.46 122.66 1mc7 n PHE 59 Ca 0.13 -1.85 -0.09 0.00 -0.05 0.00 0.00 57.45 55.59 1mc7 n PHE 59 Cb 0.48 -1.74 -0.06 0.00 -0.94 0.00 0.00 39.48 37.22 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 4.19 -0.21 0.00 -1.08 4.39 -1.96 -3.02 114.58 116.89 1mc7 h GLU 60 Ca 0.39 0.01 0.00 0.00 0.34 0.00 0.00 59.36 60.11 1mc7 h GLU 60 Cb 0.90 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.59 1mc7 h GLU 60 CO 0.81 0.17 0.00 0.09 -1.16 0.00 0.00 179.01 178.92 1mc7 n ASN 61 N -4.90 0.58 0.00 1.42 4.13 -1.26 -3.46 115.26 111.76 1mc7 n ASN 61 Ca -0.07 0.75 0.00 0.00 1.68 0.00 0.00 54.58 56.95 1mc7 n ASN 61 Cb 0.24 -0.84 0.00 0.00 -1.54 0.00 0.00 39.78 37.64 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 -2.26 0.00 -3.96 3.52 1.56 -1.18 -4.88 117.12 109.92 1mc7 n MET 62 Ca -0.01 0.00 -0.32 0.00 -0.27 0.00 0.00 57.70 57.10 1mc7 n MET 62 Cb 0.06 -0.47 -0.01 0.00 2.15 0.00 0.00 33.22 34.95 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 -0.30 -2.12 -0.72 6.12 2.88 -1.15 -4.74 113.62 113.60 1mc7 n SER 63 Ca 0.00 -0.96 0.04 0.00 -1.33 0.00 0.00 58.87 56.62 1mc7 n SER 63 Cb 0.00 -1.16 0.14 0.00 -0.75 0.00 0.00 64.21 62.44 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 -1.48 2.02 -1.18 -3.46 2.85 -1.26 -4.83 115.26 107.92 1mc7 n ASN 64 Ca -0.12 -2.13 -0.15 0.00 -0.11 0.00 0.00 54.58 52.06 1mc7 n ASN 64 Cb 0.43 -0.33 -0.07 0.00 1.24 0.00 0.00 39.78 41.06 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 0.31 -5.62 -0.93 1.20 2.03 -1.26 -4.58 116.55 107.69 1mc7 n ASP 65 Ca 0.10 0.38 -0.05 0.00 0.52 0.00 0.00 54.79 55.75 1mc7 n ASP 65 Cb 0.38 -4.48 -0.04 0.00 -0.72 0.00 0.00 41.12 36.26 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 -1.26 -0.71 0.27 1.67 5.68 -1.26 -4.77 116.55 116.17 1mc7 n ASP 66 Ca -0.15 -1.40 0.15 0.00 -0.50 0.00 0.00 54.79 52.88 1mc7 n ASP 66 Cb 0.63 0.22 0.80 0.00 -1.14 0.00 0.00 41.12 41.63 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 0.04 1.15 -0.95 2.12 0.00 -1.95 -0.19 119.26 119.49 1mc7 h ALA 67 Ca -0.39 0.00 0.14 0.00 0.00 0.00 0.00 54.91 54.66 1mc7 h ALA 67 Cb 1.13 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.83 1mc7 h ALA 67 CO -0.20 -0.15 0.56 0.28 0.00 0.00 0.00 179.25 179.74 1mc7 h VAL 68 N 0.00 0.82 -0.76 0.00 2.07 -1.96 0.31 116.25 116.73 1mc7 h VAL 68 Ca 0.00 -0.28 0.22 0.00 0.82 0.00 0.00 66.70 67.46 1mc7 h VAL 68 Cb 0.34 -0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.00 1mc7 h VAL 68 CO 0.00 0.15 0.98 -0.09 0.02 0.00 0.00 177.57 178.63 1mc7 h ARG 69 N 0.83 0.00 0.00 1.57 2.43 -1.45 1.04 114.38 118.79 1mc7 h ARG 69 Ca 0.50 0.00 -0.28 0.00 -0.81 0.00 0.00 59.98 59.39 1mc7 h ARG 69 Cb 0.62 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.12 1mc7 h ARG 69 CO -0.32 0.00 -1.94 1.55 -1.51 0.00 0.00 179.97 177.75 1mc7 n VAL 70 N -3.28 0.93 -0.30 0.20 3.14 0.85 -4.37 118.33 115.49 1mc7 n VAL 70 Ca 0.17 -0.25 0.11 0.00 -2.96 0.00 0.00 64.34 61.40 1mc7 n VAL 70 Cb 1.22 -1.64 0.28 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 -0.52 0.43 -2.27 6.55 5.85 0.97 1.61 115.31 127.94 1mc7 h LEU 71 Ca -0.42 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.42 1mc7 h LEU 71 Cb 1.40 0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.51 1mc7 h LEU 71 CO -0.23 0.10 0.00 -0.09 -0.34 0.00 0.00 178.44 177.88 1mc7 h ARG 72 N 0.51 0.00 0.00 1.25 2.43 0.80 0.46 114.38 119.82 1mc7 h ARG 72 Ca 0.52 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.68 1mc7 h ARG 72 Cb 0.90 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.44 1mc7 h ARG 72 CO -0.45 0.00 -0.08 1.05 -1.51 0.00 0.00 179.97 178.97 1mc7 h GLU 73 N 0.00 0.00 0.00 0.20 4.11 0.22 -3.05 114.58 116.06 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 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1mc7 h GLU 73 CO 0.00 0.08 0.00 -0.89 0.07 0.00 0.00 179.01 178.27 1mc7 n ILE 74 N -3.13 0.00 -0.35 -1.06 2.08 0.15 -0.91 119.36 116.14 1mc7 n ILE 74 Ca 0.03 0.27 0.32 0.00 0.56 0.00 0.00 62.75 63.93 1mc7 n ILE 74 Cb 0.53 -0.93 0.56 0.00 -0.75 0.00 0.00 39.64 39.05 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 -0.28 0.20 1.39 0.24 -1.25 0.71 118.33 119.34 1mc7 n VAL 75 Ca 0.00 1.65 -0.12 0.00 -2.04 0.00 0.00 64.34 63.83 1mc7 n VAL 75 Cb 0.00 -2.69 -0.06 0.00 -1.47 0.00 0.00 33.84 29.62 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 -0.87 0.00 -1.34 0.87 -1.60 -3.43 113.55 107.18 1mc7 h SER 76 Ca 0.75 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 61.38 1mc7 h SER 76 Cb 2.25 0.28 0.00 0.00 -0.44 0.00 0.00 62.40 64.49 1mc7 h SER 76 CO -0.52 -0.43 0.00 0.00 -0.53 0.00 0.00 176.83 175.35 1mc7 n GLN 77 N -4.31 0.33 -0.99 2.24 6.02 0.22 -5.07 117.38 115.82 1mc7 n GLN 77 Ca -0.08 0.00 -0.36 0.00 -0.01 0.00 0.00 57.00 56.55 1mc7 n GLN 77 Cb 0.29 0.00 0.05 0.00 1.02 0.00 0.00 30.24 31.60 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 0.02 0.00 5.09 -2.24 -1.25 -4.62 114.28 111.27 1mc7 n THR 78 Ca 0.00 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 1mc7 n THR 78 Cb 0.00 -0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.16 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 3.23 1.74 3.78 3.38 0.00 -1.26 -3.83 105.19 112.23 1mc7 n GLY 79 Ca -0.01 -1.21 -0.37 0.00 0.00 0.00 0.00 46.02 44.44 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 -3.62 4.17 0.35 1.61 0.04 -1.26 -4.52 135.00 131.77 1mc7 s PRO 80 Ca 0.00 1.54 -0.23 0.00 0.04 0.00 0.00 61.00 62.34 1mc7 s PRO 80 Cb 0.00 -2.57 -0.10 0.00 0.04 0.00 0.00 34.50 31.87 1mc7 s PRO 80 CO 0.00 -0.14 0.91 0.42 0.04 0.00 0.00 177.00 178.23 1mc7 s ILE 81 N -1.63 4.33 0.00 0.56 1.01 -1.26 -4.53 121.20 119.68 1mc7 s ILE 81 Ca 0.57 1.61 0.00 0.00 0.00 0.00 0.00 60.65 62.84 1mc7 s ILE 81 Cb -0.23 -3.84 0.00 0.00 0.01 0.00 0.00 42.46 38.40 1mc7 s ILE 81 CO 0.28 -0.02 0.00 -1.20 0.00 0.00 0.00 174.94 174.00 1mc7 n SER 82 N 0.13 0.00 -3.30 3.58 7.64 -1.26 -4.74 113.62 115.67 1mc7 n SER 82 Ca 0.03 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.61 1mc7 n SER 82 Cb 0.52 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.73 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 -3.11 -3.90 -3.43 4.77 -1.26 0.57 117.00 110.64 1mc7 n LEU 83 Ca 0.00 0.47 -0.11 0.00 -0.03 0.00 0.00 56.01 56.33 1mc7 n LEU 83 Cb 0.00 -0.66 -0.13 0.00 -2.33 0.00 0.00 43.42 40.31 1mc7 n LEU 83 CO 0.00 -3.88 -0.33 -0.89 -1.33 0.00 0.00 177.39 170.96 1mc7 s THR 84 N -1.57 0.04 0.06 -5.08 2.01 0.62 -4.26 115.64 107.46 1mc7 s THR 84 Ca 0.43 -0.31 0.02 0.00 0.31 0.00 0.00 61.69 62.14 1mc7 s THR 84 Cb -0.36 -0.13 -0.03 0.00 0.01 0.00 0.00 72.50 71.99 1mc7 s THR 84 CO 0.53 -0.17 -0.07 0.68 -0.69 0.00 0.00 174.62 174.90 1mc7 s VAL 85 N -0.50 0.57 -0.38 3.82 -7.23 -1.26 -2.23 120.40 113.19 1mc7 s VAL 85 Ca -0.06 -1.34 -0.01 0.00 -1.81 0.00 0.00 61.98 58.77 1mc7 s VAL 85 Cb -0.03 -0.93 0.24 0.00 0.56 0.00 0.00 36.38 36.22 1mc7 s VAL 85 CO -0.00 -0.54 2.07 0.00 -0.31 0.00 0.00 175.10 176.32 1mc7 n ALA 86 N 1.01 5.39 -1.10 1.32 0.00 -1.12 -1.05 120.51 124.97 1mc7 n ALA 86 Ca -0.20 -2.03 0.13 0.00 0.00 0.00 0.00 53.44 51.34 1mc7 n ALA 86 Cb 0.57 -1.48 -0.04 0.00 0.00 0.00 0.00 19.45 18.49 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 0.18 -2.07 -3.16 0.00 3.00 -1.26 -4.99 118.16 109.86 1mc7 n LYS 87 Ca 0.36 1.50 0.05 0.00 -0.00 0.00 0.00 58.31 60.22 1mc7 n LYS 87 Cb 0.59 -2.60 -0.03 0.00 0.00 0.00 0.00 35.03 32.98 1mc7 n LYS 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1mc7 s ALA 88 N -2.81 -3.64 -0.66 3.14 0.00 -1.26 -4.64 121.76 111.88 1mc7 s ALA 88 Ca 0.00 1.51 -0.37 0.00 0.00 0.00 0.00 51.96 53.10 1mc7 s ALA 88 Cb 0.00 -2.48 -0.18 0.00 0.00 0.00 0.00 23.12 20.46 1mc7 s ALA 88 CO 0.00 -1.25 2.37 0.91 0.00 0.00 0.00 175.76 177.78 1mc7 n TRP 89 N 5.03 1.02 0.00 0.00 5.03 -1.26 -4.78 117.44 122.48 1mc7 n TRP 89 Ca -0.08 0.52 0.00 0.00 3.03 0.00 0.00 57.50 60.97 1mc7 n TRP 89 Cb 0.55 -2.38 0.00 0.00 -1.03 0.00 0.00 31.31 28.46 1mc7 n TRP 89 CO 0.00 0.00 0.00 -3.47 -0.03 0.00 0.00 177.69 174.19 1mc7 n ASP 90 N 9.41 0.00 -2.88 -0.99 -0.08 -1.26 -5.10 116.55 115.65 1mc7 n ASP 90 Ca 0.56 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.84 1mc7 n ASP 90 Cb 0.06 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.52 1mc7 n ASP 90 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1mc7 n PRO 91 N 0.00 0.45 -4.40 -0.67 -0.04 -1.26 -5.09 135.00 123.99 1mc7 n PRO 91 Ca 0.00 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.27 1mc7 n PRO 91 Cb 0.00 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.32 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 -0.37 0.86 -0.77 0.52 -1.32 -1.26 -5.02 115.64 108.29 1mc7 s THR 92 Ca 0.00 -0.60 -0.26 0.00 -1.21 0.00 0.00 61.69 59.62 1mc7 s THR 92 Cb 0.00 -0.75 0.00 0.00 -1.51 0.00 0.00 72.50 70.25 1mc7 s THR 92 CO 0.00 0.14 1.61 -2.16 -2.21 0.00 0.00 174.62 172.00 1mc7 s PRO 93 N -0.52 2.97 -1.00 7.08 0.04 -1.26 -4.16 135.00 138.14 1mc7 s PRO 93 Ca 0.03 -0.10 -0.27 0.00 0.04 0.00 0.00 61.00 60.69 1mc7 s PRO 93 Cb -0.05 -4.57 0.04 0.00 0.04 0.00 0.00 34.50 29.95 1mc7 s PRO 93 CO 0.00 -2.55 0.57 2.89 0.04 0.00 0.00 177.00 177.96 1mc7 n ARG 94 N 9.16 -0.42 0.00 4.56 1.85 -1.26 -5.03 116.66 125.52 1mc7 n ARG 94 Ca 0.19 0.03 0.00 0.00 -1.00 0.00 0.00 57.85 57.08 1mc7 n ARG 94 Cb 0.50 -1.92 0.00 0.00 -1.05 0.00 0.00 32.46 29.99 1mc7 n ARG 94 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07