#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 -0.63 -0.73 1.08 1.01 -1.17 -4.84 120.40 115.12 1mc7 s VAL 2 Ca 0.00 0.12 -0.16 0.00 0.00 0.00 0.00 61.98 61.94 1mc7 s VAL 2 Cb 0.00 -0.74 0.16 0.00 0.00 0.00 0.00 36.38 35.80 1mc7 s VAL 2 CO 0.00 0.05 0.76 -0.89 0.00 0.00 0.00 175.10 175.02 1mc7 s THR 3 N 2.50 5.20 1.32 3.92 2.01 -1.26 -4.10 115.64 125.24 1mc7 s THR 3 Ca -0.04 -1.79 -0.21 0.00 0.31 0.00 0.00 61.69 59.97 1mc7 s THR 3 Cb -0.11 -4.50 0.33 0.00 0.01 0.00 0.00 72.50 68.23 1mc7 s THR 3 CO -0.14 -1.10 1.01 -0.76 -0.69 0.00 0.00 174.62 172.93 1mc7 s LEU 4 N 1.45 -0.28 1.09 4.42 1.43 -1.26 -4.97 118.68 120.56 1mc7 s LEU 4 Ca 0.16 0.81 -0.16 0.00 -1.03 0.00 0.00 54.13 53.91 1mc7 s LEU 4 Cb -0.16 -2.38 0.18 0.00 0.03 0.00 0.00 46.19 43.85 1mc7 s LEU 4 CO -0.03 -4.81 0.30 0.59 0.23 0.00 0.00 176.35 172.63 1mc7 n ASN 5 N -5.25 -2.99 -4.35 2.29 3.02 -1.26 -4.88 115.26 101.84 1mc7 n ASN 5 Ca 0.12 -0.38 -0.45 0.00 -0.03 0.00 0.00 54.58 53.84 1mc7 n ASN 5 Cb 0.59 -0.84 -0.05 0.00 -0.61 0.00 0.00 39.78 38.88 1mc7 n ASN 5 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1mc7 s MET 6 N -3.64 3.02 -0.30 3.52 -1.94 -1.26 -4.96 119.30 113.74 1mc7 s MET 6 Ca 0.44 -1.48 -0.17 0.00 -1.71 0.00 0.00 55.69 52.77 1mc7 s MET 6 Cb -0.08 -4.28 0.22 0.00 2.01 0.00 0.00 34.83 32.70 1mc7 s MET 6 CO 0.44 -1.44 1.33 -2.00 -0.01 0.00 0.00 175.02 173.34 1mc7 s GLU 7 N 2.21 0.00 -0.52 2.03 2.12 -1.26 -5.08 118.70 118.20 1mc7 s GLU 7 Ca 0.08 0.00 0.07 0.00 0.36 0.00 0.00 54.97 55.48 1mc7 s GLU 7 Cb -0.27 0.00 0.30 0.00 0.26 0.00 0.00 34.13 34.43 1mc7 s GLU 7 CO 0.05 -0.00 0.78 2.89 -0.54 0.00 0.00 175.26 178.43 1mc7 n ARG 8 N 2.76 2.13 -2.74 4.30 1.85 -1.26 -4.88 116.66 118.82 1mc7 n ARG 8 Ca -0.16 -4.21 -0.05 0.00 -1.00 0.00 0.00 57.85 52.43 1mc7 n ARG 8 Cb 0.56 -1.95 0.03 0.00 -1.05 0.00 0.00 32.46 30.05 1mc7 n ARG 8 CO 0.00 0.00 0.00 1.58 -0.01 0.00 0.00 177.63 179.20 1mc7 n HIS 9 N 0.44 -3.04 -3.62 2.89 -0.00 -1.26 -5.02 115.22 105.61 1mc7 n HIS 9 Ca 0.28 -1.33 -0.01 0.00 0.46 0.00 0.00 57.72 57.12 1mc7 n HIS 9 Cb 0.48 1.43 -0.01 0.00 -0.12 0.00 0.00 29.99 31.77 1mc7 n HIS 9 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 1mc7 s HIS 10 N 0.78 -0.08 0.69 1.57 3.76 -1.26 -5.18 115.29 115.58 1mc7 s HIS 10 Ca 0.29 -0.02 -0.04 0.00 -0.15 0.00 0.00 55.06 55.15 1mc7 s HIS 10 Cb 0.10 0.54 0.09 0.00 1.11 0.00 0.00 32.58 34.42 1mc7 s HIS 10 CO -0.12 -0.28 0.98 0.12 -0.85 0.00 0.00 174.74 174.59 1mc7 s PHE 11 N -2.47 2.38 -0.30 1.40 5.36 -1.26 -4.95 117.98 118.14 1mc7 s PHE 11 Ca 0.12 0.10 -0.14 0.00 -0.96 0.00 0.00 56.93 56.05 1mc7 s PHE 11 Cb 0.03 -3.11 0.18 0.00 -0.34 0.00 0.00 43.02 39.78 1mc7 s PHE 11 CO -0.04 -1.48 1.11 -1.17 -1.46 0.00 0.00 175.22 172.18 1mc7 s LEU 12 N -5.15 -0.27 -0.63 6.12 1.98 -1.26 -5.07 118.68 114.40 1mc7 s LEU 12 Ca 0.63 0.06 -0.26 0.00 -2.89 0.00 0.00 54.13 51.66 1mc7 s LEU 12 Cb -0.08 1.18 -0.05 0.00 0.66 0.00 0.00 46.19 47.90 1mc7 s LEU 12 CO 0.44 -0.05 2.10 -0.83 -1.89 0.00 0.00 176.35 176.12 1mc7 s GLY 13 N 2.97 -0.11 0.36 7.98 0.00 -1.26 -4.91 107.32 112.36 1mc7 s GLY 13 Ca 0.22 -0.58 0.04 0.00 0.00 0.00 0.00 44.72 44.39 1mc7 s GLY 13 CO -0.19 3.74 0.08 -0.26 0.00 0.00 0.00 173.10 176.46 1mc7 s ILE 14 N 10.78 0.99 -0.06 0.90 -4.36 -1.26 -3.61 121.20 124.57 1mc7 s ILE 14 Ca 0.79 -2.00 -0.29 0.00 -0.26 0.00 0.00 60.65 58.89 1mc7 s ILE 14 Cb -0.13 -2.61 0.11 0.00 1.25 0.00 0.00 42.46 41.08 1mc7 s ILE 14 CO 0.18 0.00 0.91 -0.55 0.24 0.00 0.00 174.94 175.72 1mc7 s SER 15 N -3.55 -0.39 0.46 4.36 0.15 -1.24 -4.99 113.70 108.49 1mc7 s SER 15 Ca 0.30 0.20 0.07 0.00 0.70 0.00 0.00 55.95 57.23 1mc7 s SER 15 Cb 0.06 0.37 -0.01 0.00 -1.71 0.00 0.00 66.02 64.73 1mc7 s SER 15 CO 0.14 -0.52 0.35 0.27 1.20 0.00 0.00 173.24 174.68 1mc7 s ILE 16 N -2.25 2.27 0.32 6.45 -5.25 -1.26 0.20 121.20 121.68 1mc7 s ILE 16 Ca 0.01 -1.46 -0.18 0.00 -0.99 0.00 0.00 60.65 58.04 1mc7 s ILE 16 Cb -0.01 -2.73 0.07 0.00 2.95 0.00 0.00 42.46 42.74 1mc7 s ILE 16 CO -0.04 0.00 0.90 0.54 -1.79 0.00 0.00 174.94 174.55 1mc7 s VAL 17 N -2.59 0.00 0.00 8.37 0.11 0.48 -3.67 120.40 123.09 1mc7 s VAL 17 Ca 0.43 -0.83 0.00 0.00 -2.93 0.00 0.00 61.98 58.64 1mc7 s VAL 17 Cb -0.01 -2.98 0.00 0.00 -1.53 0.00 0.00 36.38 31.85 1mc7 s VAL 17 CO 0.25 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.63 1mc7 n GLY 18 N -0.61 4.80 0.00 6.54 0.00 -1.26 -0.97 105.19 113.69 1mc7 n GLY 18 Ca -0.06 -1.42 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 -1.58 1.61 7.27 -1.26 -4.89 117.38 118.53 1mc7 n GLN 19 Ca 0.00 0.00 -0.62 0.00 0.07 0.00 0.00 57.00 56.45 1mc7 n GLN 19 Cb 0.00 0.00 -0.09 0.00 2.41 0.00 0.00 30.24 32.56 1mc7 n GLN 19 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 1mc7 n SER 20 N 0.00 0.59 -3.64 1.69 3.41 -1.26 -4.92 113.62 109.49 1mc7 n SER 20 Ca 0.00 1.14 -0.05 0.00 -0.26 0.00 0.00 58.87 59.70 1mc7 n SER 20 Cb 0.00 -0.87 -0.07 0.00 -0.26 0.00 0.00 64.21 63.01 1mc7 n SER 20 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1mc7 s ASN 21 N 1.48 -0.62 0.44 4.04 2.47 -1.26 -5.13 114.94 116.37 1mc7 s ASN 21 Ca 0.95 1.02 0.00 0.00 0.42 0.00 0.00 52.86 55.26 1mc7 s ASN 21 Cb -1.34 1.21 0.00 0.00 -1.45 0.00 0.00 41.25 39.66 1mc7 s ASN 21 CO 0.68 -0.17 0.00 -0.67 -3.72 0.00 0.00 177.10 173.22 1mc7 n ASP 22 N 3.55 -7.26 -4.80 -4.21 -0.08 -1.26 -4.62 116.55 97.86 1mc7 n ASP 22 Ca -0.18 0.96 -0.34 0.00 -1.51 0.00 0.00 54.79 53.73 1mc7 n ASP 22 Cb 0.58 -4.05 -0.06 0.00 2.34 0.00 0.00 41.12 39.93 1mc7 n ASP 22 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 1mc7 s ARG 23 N -3.31 4.15 0.00 -0.67 0.52 -1.26 -4.46 118.95 113.92 1mc7 s ARG 23 Ca 0.00 1.27 0.00 0.00 -0.52 0.00 0.00 55.73 56.48 1mc7 s ARG 23 Cb 0.00 -2.29 0.00 0.00 0.52 0.00 0.00 34.95 33.18 1mc7 s ARG 23 CO 0.00 -0.11 0.00 0.41 0.02 0.00 0.00 175.30 175.62 1mc7 n GLY 24 N -0.24 0.00 0.00 -3.53 0.00 -1.26 -4.98 105.19 95.18 1mc7 n GLY 24 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 1.40 0.00 0.12 1.61 8.00 -1.26 -5.11 116.55 121.31 1mc7 n ASP 25 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1mc7 n ASP 25 Cb 0.39 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.49 1mc7 n ASP 25 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1mc7 n GLY 26 N 0.00 -1.24 3.32 0.44 0.00 -1.26 -4.15 105.19 102.30 1mc7 n GLY 26 Ca 0.00 0.23 -0.19 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.46 -0.09 3.59 -0.02 0.00 -1.26 -4.66 105.19 101.29 1mc7 n GLY 27 Ca 0.00 0.60 -0.47 0.00 0.00 0.00 0.00 46.02 46.15 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 0.54 1.18 -4.49 -0.61 2.08 -1.26 -4.94 119.36 111.86 1mc7 n ILE 28 Ca -0.04 -0.29 -0.25 0.00 0.56 0.00 0.00 62.75 62.73 1mc7 n ILE 28 Cb 0.57 -0.92 -0.10 0.00 -0.75 0.00 0.00 39.64 38.44 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 -0.40 2.42 0.02 1.39 2.02 -0.14 -4.12 117.35 118.54 1mc7 s TYR 29 Ca 0.69 -0.45 -0.30 0.00 -0.37 0.00 0.00 57.07 56.64 1mc7 s TYR 29 Cb -0.80 -1.32 -0.07 0.00 -0.40 0.00 0.00 41.96 39.36 1mc7 s TYR 29 CO 0.54 0.59 1.72 -1.50 -1.57 0.00 0.00 175.55 175.33 1mc7 s ILE 30 N -2.57 3.22 0.15 2.71 1.10 -0.63 0.18 121.20 125.36 1mc7 s ILE 30 Ca 0.32 0.46 -0.18 0.00 -0.51 0.00 0.00 60.65 60.75 1mc7 s ILE 30 Cb 0.00 -3.30 0.05 0.00 0.15 0.00 0.00 42.46 39.36 1mc7 s ILE 30 CO 0.17 -0.02 1.69 1.23 -2.11 0.00 0.00 174.94 175.89 1mc7 h GLY 31 N 9.55 0.26 0.00 1.50 0.00 0.22 -3.36 103.07 111.25 1mc7 h GLY 31 Ca -0.43 0.09 0.00 0.00 0.00 0.00 0.00 47.33 46.99 1mc7 h GLY 31 CO 0.94 -0.11 0.00 1.44 0.00 0.00 0.00 176.54 178.81 1mc7 n SER 32 N -5.25 0.00 -3.94 0.19 7.64 -1.24 -4.65 113.62 106.37 1mc7 n SER 32 Ca 0.01 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.61 1mc7 n SER 32 Cb 0.18 0.00 -0.17 0.00 -1.01 0.00 0.00 64.21 63.22 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 1.17 -0.92 0.44 1.09 -1.26 -3.66 121.20 116.05 1mc7 s ILE 33 Ca 0.00 -0.38 -0.17 0.00 -1.10 0.00 0.00 60.65 58.99 1mc7 s ILE 33 Cb 0.00 -1.15 -0.26 0.00 -1.06 0.00 0.00 42.46 39.99 1mc7 s ILE 33 CO 0.00 0.39 2.31 0.23 -0.10 0.00 0.00 174.94 177.77 1mc7 n MET 34 N 4.83 0.19 -0.98 2.79 2.81 -1.24 -4.81 117.12 120.71 1mc7 n MET 34 Ca -0.14 -0.20 -0.36 0.00 -1.81 0.00 0.00 57.70 55.19 1mc7 n MET 34 Cb 0.50 -1.85 0.05 0.00 -0.71 0.00 0.00 33.22 31.21 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 6.92 -0.03 -2.63 0.03 0.00 -1.26 -3.82 118.16 117.37 1mc7 n LYS 35 Ca 0.61 -0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.92 1mc7 n LYS 35 Cb 0.22 -1.08 0.00 0.00 0.00 0.00 0.00 35.03 34.17 1mc7 n LYS 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1mc7 n GLY 36 N 3.32 0.00 0.00 3.14 0.00 -1.26 -4.89 105.19 105.49 1mc7 n GLY 36 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 1.29 0.54 0.00 -0.02 0.00 -1.25 -4.80 105.19 100.95 1mc7 n GLY 37 Ca 0.00 0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.49 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 0.24 4.61 0.00 -1.26 -3.27 120.51 117.82 1mc7 n ALA 38 Ca 0.00 -0.07 0.13 0.00 0.00 0.00 0.00 53.44 53.50 1mc7 n ALA 38 Cb 0.00 0.00 0.44 0.00 0.00 0.00 0.00 19.45 19.89 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 0.21 0.00 0.00 2.07 -1.98 -2.92 116.25 113.63 1mc7 h VAL 39 Ca 0.00 -0.93 -0.15 0.00 0.82 0.00 0.00 66.70 66.44 1mc7 h VAL 39 Cb 0.00 1.78 0.01 0.00 -1.52 0.00 0.00 31.29 31.56 1mc7 h VAL 39 CO 0.00 0.09 -0.59 0.00 0.02 0.00 0.00 177.57 177.09 1mc7 h ALA 40 N 1.90 0.07 0.00 1.67 0.00 -1.80 -3.01 119.26 118.10 1mc7 h ALA 40 Ca -0.00 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1mc7 h ALA 40 Cb 0.77 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1mc7 h ALA 40 CO 0.01 0.34 0.00 0.00 0.00 0.00 0.00 179.25 179.61 1mc7 h ALA 41 N 0.31 1.00 -0.15 0.00 0.00 -1.51 -1.59 119.26 117.32 1mc7 h ALA 41 Ca -0.07 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 1mc7 h ALA 41 Cb 1.31 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 1mc7 h ALA 41 CO 0.12 0.00 -0.24 -0.44 0.00 0.00 0.00 179.25 178.69 1mc7 h ASP 42 N 0.00 0.47 0.00 0.00 5.19 -1.38 -3.48 116.42 117.21 1mc7 h ASP 42 Ca 0.00 -0.53 0.00 0.00 -0.62 0.00 0.00 57.03 55.88 1mc7 h ASP 42 Cb 0.15 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 39.52 1mc7 h ASP 42 CO 0.00 0.91 0.00 0.61 -3.12 0.00 0.00 179.24 177.64 1mc7 n GLY 43 N 0.34 2.60 2.25 2.75 0.00 -0.60 -5.08 105.19 107.45 1mc7 n GLY 43 Ca -0.06 0.11 -0.21 0.00 0.00 0.00 0.00 46.02 45.85 1mc7 n GLY 43 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1mc7 n ARG 44 N 0.00 1.09 -0.83 1.61 0.63 -1.26 -4.72 116.66 113.18 1mc7 n ARG 44 Ca 0.00 -3.47 -0.34 0.00 -0.92 0.00 0.00 57.85 53.11 1mc7 n ARG 44 Cb 0.00 -1.58 0.11 0.00 0.45 0.00 0.00 32.46 31.43 1mc7 n ARG 44 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 1mc7 n ILE 45 N 0.69 0.00 -4.20 5.15 2.08 -1.26 -5.02 119.36 116.80 1mc7 n ILE 45 Ca 0.24 -0.25 -0.12 0.00 0.56 0.00 0.00 62.75 63.19 1mc7 n ILE 45 Cb 0.58 -0.39 -0.10 0.00 -0.75 0.00 0.00 39.64 38.98 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 -2.98 0.94 0.17 0.38 2.02 -1.26 -4.93 118.70 113.04 1mc7 s GLU 46 Ca 0.50 -1.41 -0.00 0.00 0.02 0.00 0.00 54.97 54.08 1mc7 s GLU 46 Cb -0.11 -0.29 0.01 0.00 0.10 0.00 0.00 34.13 33.84 1mc7 s GLU 46 CO 0.69 -0.03 1.39 -1.00 0.02 0.00 0.00 175.26 176.33 1mc7 h PRO 47 N 2.86 0.30 -0.67 0.39 0.13 -1.83 -3.00 132.00 130.19 1mc7 h PRO 47 Ca -0.36 -0.30 0.00 0.00 -0.87 0.00 0.00 66.00 64.48 1mc7 h PRO 47 Cb 1.18 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1mc7 h PRO 47 CO 0.64 0.98 0.00 0.41 -0.23 0.00 0.00 178.00 179.80 1mc7 n GLY 48 N 0.75 1.71 0.33 1.56 0.00 -1.26 -1.60 105.19 106.68 1mc7 n GLY 48 Ca -0.04 -0.40 0.17 0.00 0.00 0.00 0.00 46.02 45.74 1mc7 n GLY 48 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1mc7 h ASP 49 N 1.87 0.00 -2.25 1.61 -0.00 -1.84 -3.43 116.42 112.38 1mc7 h ASP 49 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 1mc7 h ASP 49 Cb 0.97 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.30 1mc7 h ASP 49 CO 0.16 0.00 0.00 0.80 -0.00 0.00 0.00 179.24 180.20 1mc7 n MET 50 N -3.78 0.00 -3.06 4.15 0.00 -1.26 -4.00 117.12 109.17 1mc7 n MET 50 Ca 0.01 0.00 -0.45 0.00 -0.00 0.00 0.00 57.70 57.26 1mc7 n MET 50 Cb 0.27 -1.89 -0.01 0.00 0.00 0.00 0.00 33.22 31.59 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 -2.25 5.52 0.00 -0.89 1.98 -1.26 -3.13 118.68 118.65 1mc7 s LEU 51 Ca 0.00 -2.71 0.00 0.00 -2.89 0.00 0.00 54.13 48.53 1mc7 s LEU 51 Cb 0.00 -2.34 0.00 0.00 0.66 0.00 0.00 46.19 44.51 1mc7 s LEU 51 CO 0.00 -0.76 0.58 0.00 -1.89 0.00 0.00 176.35 174.28 1mc7 n LEU 52 N 5.25 0.91 -4.00 -0.68 -0.00 -1.23 -4.24 117.00 113.00 1mc7 n LEU 52 Ca 0.27 -0.91 -0.11 0.00 -0.00 0.00 0.00 56.01 55.25 1mc7 n LEU 52 Cb 0.45 0.00 -0.12 0.00 -0.00 0.00 0.00 43.42 43.75 1mc7 n LEU 52 CO 0.51 0.23 -0.38 0.00 -0.00 0.00 0.00 177.39 177.75 1mc7 s GLN 53 N -0.33 0.38 0.04 1.47 -2.07 -0.97 -3.02 119.66 115.16 1mc7 s GLN 53 Ca 0.00 -0.58 0.01 0.00 -1.82 0.00 0.00 55.36 52.97 1mc7 s GLN 53 Cb 0.00 -0.10 -0.03 0.00 -1.09 0.00 0.00 33.01 31.79 1mc7 s GLN 53 CO 0.00 0.01 -0.05 0.08 -1.32 0.00 0.00 175.29 174.00 1mc7 s VAL 54 N -1.20 0.37 0.00 3.63 1.01 -1.21 0.25 120.40 123.25 1mc7 s VAL 54 Ca -0.11 -1.21 0.00 0.00 0.00 0.00 0.00 61.98 60.66 1mc7 s VAL 54 Cb -0.09 -0.72 0.00 0.00 0.00 0.00 0.00 36.38 35.57 1mc7 s VAL 54 CO -0.00 -0.55 0.00 -3.20 0.00 0.00 0.00 175.10 171.35 1mc7 n ASN 55 N 1.17 0.00 -0.21 3.32 5.15 0.26 0.14 115.26 125.10 1mc7 n ASN 55 Ca -0.21 0.00 0.05 0.00 -0.60 0.00 0.00 54.58 53.82 1mc7 n ASN 55 Cb 0.56 0.00 0.23 0.00 -0.53 0.00 0.00 39.78 40.05 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 -1.53 0.61 -4.90 1.20 5.75 -1.26 -4.84 116.55 111.58 1mc7 n ASP 56 Ca 0.00 -1.80 -0.28 0.00 -0.01 0.00 0.00 54.79 52.70 1mc7 n ASP 56 Cb 0.00 -0.06 0.00 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 -1.88 4.81 -0.38 2.12 1.01 0.38 -5.07 120.40 121.40 1mc7 s VAL 57 Ca 0.17 0.32 0.05 0.00 0.00 0.00 0.00 61.98 62.52 1mc7 s VAL 57 Cb 0.08 -3.85 0.16 0.00 0.00 0.00 0.00 36.38 32.78 1mc7 s VAL 57 CO 0.13 -0.89 0.47 0.54 0.00 0.00 0.00 175.10 175.35 1mc7 s ASN 58 N -4.13 0.17 -0.45 3.32 2.20 -1.26 -3.32 114.94 111.47 1mc7 s ASN 58 Ca 0.49 -1.29 -0.07 0.00 -0.94 0.00 0.00 52.86 51.05 1mc7 s ASN 58 Cb -0.10 1.08 -0.21 0.00 -2.00 0.00 0.00 41.25 40.01 1mc7 s ASN 58 CO 0.47 -0.23 3.43 0.49 -2.94 0.00 0.00 177.10 178.32 1mc7 n PHE 59 N 4.31 0.69 -0.03 1.54 3.72 -1.17 -4.41 117.46 122.11 1mc7 n PHE 59 Ca 0.11 -1.94 -0.13 0.00 -0.05 0.00 0.00 57.45 55.45 1mc7 n PHE 59 Cb 0.49 -1.83 -0.11 0.00 -0.94 0.00 0.00 39.48 37.09 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 3.54 -0.03 0.00 -1.08 5.08 -1.96 -3.07 114.58 117.05 1mc7 h GLU 60 Ca 0.38 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.74 1mc7 h GLU 60 Cb 1.17 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1mc7 h GLU 60 CO 0.66 0.67 0.00 0.09 -1.00 0.00 0.00 179.01 179.43 1mc7 n ASN 61 N -4.75 0.02 0.00 1.42 4.13 -1.26 -3.75 115.26 111.08 1mc7 n ASN 61 Ca -0.09 0.51 0.00 0.00 1.68 0.00 0.00 54.58 56.68 1mc7 n ASN 61 Cb 0.35 -0.51 0.00 0.00 -1.54 0.00 0.00 39.78 38.08 1mc7 n ASN 61 CO 0.00 0.00 0.00 0.80 0.28 0.00 0.00 177.26 178.34 1mc7 n MET 62 N -1.53 0.00 -3.27 3.52 1.56 -1.17 -4.80 117.12 111.43 1mc7 n MET 62 Ca 0.02 0.00 -0.24 0.00 -0.27 0.00 0.00 57.70 57.21 1mc7 n MET 62 Cb 0.11 -0.34 -0.05 0.00 2.15 0.00 0.00 33.22 35.09 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 -0.28 -0.94 0.17 6.12 2.88 -1.17 -4.75 113.62 115.65 1mc7 n SER 63 Ca 0.00 -0.72 -0.07 0.00 -1.33 0.00 0.00 58.87 56.75 1mc7 n SER 63 Cb 0.00 -0.92 -0.04 0.00 -0.75 0.00 0.00 64.21 62.51 1mc7 n SER 63 CO 0.00 0.00 0.00 -1.13 -1.23 0.00 0.00 175.04 172.68 1mc7 h ASN 64 N -0.51 -0.45 0.00 -3.46 -1.24 -1.91 -3.45 115.58 104.56 1mc7 h ASN 64 Ca -0.35 0.02 0.00 0.00 0.71 0.00 0.00 56.30 56.69 1mc7 h ASN 64 Cb 0.80 0.13 0.00 0.00 0.73 0.00 0.00 38.32 39.97 1mc7 h ASN 64 CO 0.51 -0.29 0.00 -0.67 -1.29 0.00 0.00 177.43 175.69 1mc7 n ASP 65 N -3.37 0.00 -2.70 1.15 4.64 -1.26 -4.98 116.55 110.03 1mc7 n ASP 65 Ca -0.06 0.00 -0.07 0.00 -1.38 0.00 0.00 54.79 53.28 1mc7 n ASP 65 Cb 0.19 0.00 0.04 0.00 -1.04 0.00 0.00 41.12 40.30 1mc7 n ASP 65 CO 0.00 0.00 0.00 -0.90 -0.82 0.00 0.00 177.20 175.48 1mc7 n ASP 66 N 0.00 1.57 -0.01 1.67 5.75 -1.26 -4.76 116.55 119.50 1mc7 n ASP 66 Ca 0.00 -2.54 0.22 0.00 -0.01 0.00 0.00 54.79 52.46 1mc7 n ASP 66 Cb 0.00 -0.51 0.53 0.00 -1.03 0.00 0.00 41.12 40.11 1mc7 n ASP 66 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1mc7 h ALA 67 N 2.88 2.46 -0.95 2.12 0.00 -1.96 0.25 119.26 124.06 1mc7 h ALA 67 Ca -0.10 -0.02 0.29 0.00 0.00 0.00 0.00 54.91 55.08 1mc7 h ALA 67 Cb 1.20 0.05 -0.16 0.00 0.00 0.00 0.00 17.79 18.88 1mc7 h ALA 67 CO 0.42 -1.20 0.27 0.28 0.00 0.00 0.00 179.25 179.02 1mc7 h VAL 68 N 0.00 0.16 -1.27 0.00 2.07 -1.96 1.48 116.25 116.74 1mc7 h VAL 68 Ca 0.31 -0.04 0.37 0.00 0.82 0.00 0.00 66.70 68.15 1mc7 h VAL 68 Cb 2.04 0.03 -0.05 0.00 -1.52 0.00 0.00 31.29 31.80 1mc7 h VAL 68 CO -0.00 0.02 1.20 -0.09 0.02 0.00 0.00 177.57 178.72 1mc7 h ARG 69 N 0.12 0.00 0.00 1.57 9.65 -0.93 1.26 114.38 126.05 1mc7 h ARG 69 Ca 0.65 0.00 -0.32 0.00 -1.10 0.00 0.00 59.98 59.21 1mc7 h ARG 69 Cb 1.43 0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 29.97 1mc7 h ARG 69 CO -0.75 0.00 -2.07 1.55 2.80 0.00 0.00 179.97 181.50 1mc7 n VAL 70 N -3.53 1.05 -0.29 0.20 3.14 0.49 -4.34 118.33 115.06 1mc7 n VAL 70 Ca 0.28 -0.28 0.09 0.00 -2.96 0.00 0.00 64.34 61.47 1mc7 n VAL 70 Cb 1.59 -1.70 0.25 0.00 -1.06 0.00 0.00 33.84 32.92 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 -0.62 0.31 -2.45 6.55 5.85 0.85 1.59 115.31 127.39 1mc7 h LEU 71 Ca -0.48 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.37 1mc7 h LEU 71 Cb 1.45 0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.59 1mc7 h LEU 71 CO -0.27 0.06 0.00 -0.09 -0.34 0.00 0.00 178.44 177.80 1mc7 h ARG 72 N 0.43 0.00 0.00 1.25 2.43 0.12 0.11 114.38 118.73 1mc7 h ARG 72 Ca 0.49 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.65 1mc7 h ARG 72 Cb 0.84 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.38 1mc7 h ARG 72 CO -0.47 0.00 -0.06 1.05 -1.51 0.00 0.00 179.97 178.98 1mc7 h GLU 73 N 0.00 0.00 0.00 0.20 4.11 0.21 -3.02 114.58 116.08 1mc7 h GLU 73 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1mc7 h GLU 73 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1mc7 h GLU 73 CO 0.00 0.06 0.00 -0.89 0.07 0.00 0.00 179.01 178.25 1mc7 n ILE 74 N -3.12 0.00 -0.40 -1.06 2.08 0.39 -0.47 119.36 116.78 1mc7 n ILE 74 Ca 0.03 0.30 0.36 0.00 0.56 0.00 0.00 62.75 64.01 1mc7 n ILE 74 Cb 0.52 -1.11 0.64 0.00 -0.75 0.00 0.00 39.64 38.93 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 0.18 1.39 0.24 -1.25 0.32 118.33 118.88 1mc7 n VAL 75 Ca 0.00 1.93 -0.14 0.00 -2.04 0.00 0.00 64.34 64.09 1mc7 n VAL 75 Cb 0.00 -3.14 -0.08 0.00 -1.47 0.00 0.00 33.84 29.15 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 -1.11 0.00 -1.34 0.87 -1.59 -3.45 113.55 106.93 1mc7 h SER 76 Ca 0.87 0.10 0.00 0.00 -1.23 0.00 0.00 61.79 61.53 1mc7 h SER 76 Cb 2.55 0.38 0.00 0.00 -0.44 0.00 0.00 62.40 64.89 1mc7 h SER 76 CO -0.62 -0.49 0.00 0.00 -0.53 0.00 0.00 176.83 175.19 1mc7 n GLN 77 N -4.75 0.00 -0.14 2.24 6.02 0.15 -5.07 117.38 115.83 1mc7 n GLN 77 Ca -0.08 0.00 -0.06 0.00 -0.01 0.00 0.00 57.00 56.84 1mc7 n GLN 77 Cb 0.34 0.00 0.06 0.00 1.02 0.00 0.00 30.24 31.66 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 -1.32 5.09 -2.24 -1.23 -4.75 114.28 109.83 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 -0.78 -4.24 3.80 3.38 0.00 -1.26 -3.90 105.19 102.18 1mc7 n GLY 79 Ca 0.03 -0.45 -0.34 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.77 3.82 0.35 1.61 0.04 -1.26 -4.24 135.00 133.54 1mc7 s PRO 80 Ca 0.00 1.36 -0.26 0.00 0.04 0.00 0.00 61.00 62.15 1mc7 s PRO 80 Cb 0.00 -2.11 -0.09 0.00 0.04 0.00 0.00 34.50 32.34 1mc7 s PRO 80 CO 0.00 -0.42 1.02 0.42 0.04 0.00 0.00 177.00 178.06 1mc7 s ILE 81 N -1.97 3.85 0.00 0.56 1.01 -1.26 -4.49 121.20 118.90 1mc7 s ILE 81 Ca 0.67 1.52 0.00 0.00 0.00 0.00 0.00 60.65 62.84 1mc7 s ILE 81 Cb -0.16 -3.84 0.00 0.00 0.01 0.00 0.00 42.46 38.47 1mc7 s ILE 81 CO 0.20 0.11 0.00 -1.20 0.00 0.00 0.00 174.94 174.05 1mc7 n SER 82 N 0.35 0.00 -3.05 3.58 7.64 -1.26 -4.75 113.62 116.13 1mc7 n SER 82 Ca 0.03 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.59 1mc7 n SER 82 Cb 0.49 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.67 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 -1.20 -3.97 -3.43 -0.00 -1.26 -0.58 117.00 106.56 1mc7 n LEU 83 Ca 0.00 0.72 -0.17 0.00 -0.00 0.00 0.00 56.01 56.56 1mc7 n LEU 83 Cb 0.00 -0.65 -0.15 0.00 -0.00 0.00 0.00 43.42 42.63 1mc7 n LEU 83 CO 0.00 -2.33 -0.41 -0.89 -0.00 0.00 0.00 177.39 173.76 1mc7 s THR 84 N -0.83 0.50 0.06 1.47 2.01 0.68 -3.05 115.64 116.48 1mc7 s THR 84 Ca 0.44 -0.26 0.01 0.00 0.31 0.00 0.00 61.69 62.19 1mc7 s THR 84 Cb -0.59 -0.43 -0.03 0.00 0.01 0.00 0.00 72.50 71.45 1mc7 s THR 84 CO 0.40 0.15 -0.06 0.68 -0.69 0.00 0.00 174.62 175.10 1mc7 s VAL 85 N -0.05 0.50 -0.39 3.82 -7.23 -1.25 -2.29 120.40 113.50 1mc7 s VAL 85 Ca 0.01 -1.51 -0.01 0.00 -1.81 0.00 0.00 61.98 58.66 1mc7 s VAL 85 Cb -0.04 -1.14 0.30 0.00 0.56 0.00 0.00 36.38 36.07 1mc7 s VAL 85 CO -0.00 -0.69 1.95 0.00 -0.31 0.00 0.00 175.10 176.05 1mc7 n ALA 86 N 0.67 5.28 -1.10 1.32 0.00 -1.18 -1.77 120.51 123.72 1mc7 n ALA 86 Ca -0.17 -2.09 0.13 0.00 0.00 0.00 0.00 53.44 51.31 1mc7 n ALA 86 Cb 0.58 -1.45 -0.04 0.00 0.00 0.00 0.00 19.45 18.54 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 -0.08 -2.06 -3.15 0.00 3.00 -1.26 -4.97 118.16 109.64 1mc7 n LYS 87 Ca 0.39 1.50 0.05 0.00 -0.00 0.00 0.00 58.31 60.25 1mc7 n LYS 87 Cb 0.70 -2.60 -0.00 0.00 0.00 0.00 0.00 35.03 33.13 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 -2.84 -3.95 0.00 3.14 0.00 -1.26 -4.69 121.76 112.16 1mc7 s ALA 88 Ca 0.00 1.35 0.00 0.00 0.00 0.00 0.00 51.96 53.31 1mc7 s ALA 88 Cb 0.00 -2.81 0.00 0.00 0.00 0.00 0.00 23.12 20.31 1mc7 s ALA 88 CO 0.00 -2.06 0.87 1.87 0.00 0.00 0.00 175.76 176.44 1mc7 n TRP 89 N 5.14 0.00 -3.19 0.00 -0.00 -1.26 -4.88 117.44 113.25 1mc7 n TRP 89 Ca 0.09 0.00 -0.08 0.00 -0.00 0.00 0.00 57.50 57.51 1mc7 n TRP 89 Cb 0.57 -0.37 0.01 0.00 -0.00 0.00 0.00 31.31 31.52 1mc7 n TRP 89 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 177.69 174.22 1mc7 n ASP 90 N -2.35 -6.58 -4.58 5.87 -0.08 -1.26 -4.76 116.55 102.82 1mc7 n ASP 90 Ca 0.00 0.42 -0.42 0.00 -1.51 0.00 0.00 54.79 53.28 1mc7 n ASP 90 Cb 0.00 -2.16 -0.03 0.00 2.34 0.00 0.00 41.12 41.28 1mc7 n ASP 90 CO 0.00 0.00 0.00 -2.16 0.12 0.00 0.00 177.20 175.16 1mc7 s PRO 91 N -1.41 3.30 0.02 -0.67 0.04 -1.26 -4.99 135.00 130.03 1mc7 s PRO 91 Ca 0.08 0.63 0.04 0.00 0.04 0.00 0.00 61.00 61.79 1mc7 s PRO 91 Cb -0.01 -4.13 -0.03 0.00 0.04 0.00 0.00 34.50 30.36 1mc7 s PRO 91 CO 0.29 -1.92 -0.08 -0.08 0.04 0.00 0.00 177.00 175.25 1mc7 s THR 92 N 6.24 3.58 1.01 1.26 -1.32 -1.26 -5.12 115.64 120.02 1mc7 s THR 92 Ca 0.57 -0.84 -0.15 0.00 -1.21 0.00 0.00 61.69 60.06 1mc7 s THR 92 Cb -0.12 -2.56 0.20 0.00 -1.51 0.00 0.00 72.50 68.50 1mc7 s THR 92 CO 0.27 0.36 1.18 -2.16 -2.21 0.00 0.00 174.62 172.06 1mc7 s PRO 93 N -1.50 0.31 0.09 7.08 0.04 -1.26 -5.06 135.00 134.71 1mc7 s PRO 93 Ca 0.17 -0.02 -0.04 0.00 0.04 0.00 0.00 61.00 61.16 1mc7 s PRO 93 Cb -0.11 -1.77 -0.05 0.00 0.04 0.00 0.00 34.50 32.61 1mc7 s PRO 93 CO 0.08 -2.70 0.31 -0.98 0.04 0.00 0.00 177.00 173.75 1mc7 s ARG 94 N -5.49 3.56 0.00 4.56 1.70 -1.26 -5.30 118.95 116.72 1mc7 s ARG 94 Ca 0.69 -0.18 0.06 0.00 -0.47 0.00 0.00 55.73 55.83 1mc7 s ARG 94 Cb -0.10 -2.95 0.38 0.00 -0.57 0.00 0.00 34.95 31.71 1mc7 s ARG 94 CO 0.54 0.54 0.85 0.43 -1.08 0.00 0.00 175.30 176.58