#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 -0.00 -0.66 1.08 1.01 -1.25 -4.86 120.40 115.71 1mc7 s VAL 2 Ca 0.00 0.02 -0.15 0.00 0.00 0.00 0.00 61.98 61.85 1mc7 s VAL 2 Cb 0.00 -0.82 0.17 0.00 0.00 0.00 0.00 36.38 35.73 1mc7 s VAL 2 CO 0.00 0.01 0.61 -0.89 0.00 0.00 0.00 175.10 174.83 1mc7 s THR 3 N 0.83 5.32 0.63 3.92 2.01 -1.26 -4.15 115.64 122.94 1mc7 s THR 3 Ca -0.04 -1.95 -0.19 0.00 0.31 0.00 0.00 61.69 59.82 1mc7 s THR 3 Cb -0.05 -4.36 -0.02 0.00 0.01 0.00 0.00 72.50 68.08 1mc7 s THR 3 CO -0.07 -0.94 1.26 0.18 -0.69 0.00 0.00 174.62 174.37 1mc7 n LEU 4 N 4.66 5.64 -4.24 4.42 4.77 -1.26 -4.85 117.00 126.14 1mc7 n LEU 4 Ca -0.02 0.85 -0.41 0.00 -0.03 0.00 0.00 56.01 56.41 1mc7 n LEU 4 Cb 0.43 -1.54 -0.09 0.00 -2.33 0.00 0.00 43.42 39.89 1mc7 n LEU 4 CO 0.44 -1.05 -0.05 0.21 -1.33 0.00 0.00 177.39 175.62 1mc7 s ASN 5 N -1.29 5.71 0.03 -1.43 2.47 -1.26 -4.92 114.94 114.26 1mc7 s ASN 5 Ca 0.80 -1.73 -0.29 0.00 0.42 0.00 0.00 52.86 52.06 1mc7 s ASN 5 Cb -0.39 -2.02 0.11 0.00 -1.45 0.00 0.00 41.25 37.50 1mc7 s ASN 5 CO 0.43 -0.64 1.20 -0.32 -3.72 0.00 0.00 177.10 174.05 1mc7 s MET 6 N 1.40 0.61 -0.07 0.43 1.75 -1.26 -5.16 119.30 117.01 1mc7 s MET 6 Ca 0.05 -0.34 -0.04 0.00 -1.25 0.00 0.00 55.69 54.10 1mc7 s MET 6 Cb -0.25 0.21 -0.04 0.00 2.84 0.00 0.00 34.83 37.59 1mc7 s MET 6 CO 0.01 -0.28 0.12 -1.21 -0.65 0.00 0.00 175.02 173.01 1mc7 s GLU 7 N -2.63 3.32 -0.71 4.11 2.02 -1.26 -5.02 118.70 118.53 1mc7 s GLU 7 Ca 0.14 -0.27 -0.26 0.00 0.02 0.00 0.00 54.97 54.60 1mc7 s GLU 7 Cb 0.03 -3.06 -0.02 0.00 0.10 0.00 0.00 34.13 31.17 1mc7 s GLU 7 CO -0.02 0.72 1.85 0.50 0.02 0.00 0.00 175.26 178.33 1mc7 s ARG 8 N -1.36 2.65 0.00 1.61 3.52 -1.26 -4.65 118.95 119.46 1mc7 s ARG 8 Ca 0.19 0.29 0.00 0.00 -0.13 0.00 0.00 55.73 56.08 1mc7 s ARG 8 Cb -0.12 -4.59 0.00 0.00 -1.56 0.00 0.00 34.95 28.68 1mc7 s ARG 8 CO 0.09 -2.88 0.00 1.58 -0.81 0.00 0.00 175.30 173.28 1mc7 n HIS 9 N 12.89 0.00 -3.92 5.12 -0.00 -1.26 -5.09 115.22 122.96 1mc7 n HIS 9 Ca 0.25 0.00 0.01 0.00 0.46 0.00 0.00 57.72 58.44 1mc7 n HIS 9 Cb 0.50 0.01 0.00 0.00 -0.12 0.00 0.00 29.99 30.39 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 -1.19 -0.16 -1.52 1.57 -0.00 -1.26 -4.79 115.22 107.86 1mc7 n HIS 10 Ca 0.00 -0.16 0.05 0.00 0.46 0.00 0.00 57.72 58.07 1mc7 n HIS 10 Cb 0.00 0.07 -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 0.34 0.46 0.00 0.00 176.34 177.14 1mc7 n PHE 11 N -0.23 -3.97 0.00 1.57 7.35 -1.26 -5.06 117.46 115.86 1mc7 n PHE 11 Ca 0.01 2.16 0.00 0.00 -0.76 0.00 0.00 57.45 58.87 1mc7 n PHE 11 Cb 0.14 -3.41 0.00 0.00 0.35 0.00 0.00 39.48 36.56 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 -3.14 0.00 -0.46 -2.13 -0.00 -1.26 -5.06 117.00 104.95 1mc7 n LEU 12 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.98 1mc7 n LEU 12 Cb 0.52 0.10 0.00 0.00 -0.00 0.00 0.00 43.42 44.04 1mc7 n LEU 12 CO 0.01 -0.10 0.00 0.61 -0.00 0.00 0.00 177.39 177.91 1mc7 n GLY 13 N -1.23 0.52 3.57 -3.96 0.00 -1.26 -4.89 105.19 97.93 1mc7 n GLY 13 Ca 0.00 -0.25 -0.27 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.93 2.07 0.18 -0.61 -5.25 -1.26 -3.57 121.20 110.84 1mc7 s ILE 14 Ca 0.00 -2.11 -0.20 0.00 -0.99 0.00 0.00 60.65 57.35 1mc7 s ILE 14 Cb 0.00 -2.80 0.05 0.00 2.95 0.00 0.00 42.46 42.66 1mc7 s ILE 14 CO 0.00 -0.11 0.57 -0.44 -1.79 0.00 0.00 174.94 173.16 1mc7 s SER 15 N -3.64 -0.39 0.38 4.36 0.01 -1.25 -5.03 113.70 108.14 1mc7 s SER 15 Ca 0.34 -0.28 0.05 0.00 1.31 0.00 0.00 55.95 57.37 1mc7 s SER 15 Cb 0.06 0.59 -0.06 0.00 0.21 0.00 0.00 66.02 66.83 1mc7 s SER 15 CO 0.17 -1.03 0.04 0.27 0.41 0.00 0.00 173.24 173.10 1mc7 s ILE 16 N -3.82 1.39 0.24 1.44 -5.25 -1.26 0.96 121.20 114.90 1mc7 s ILE 16 Ca 0.05 -2.00 -0.22 0.00 -0.99 0.00 0.00 60.65 57.49 1mc7 s ILE 16 Cb -0.01 -2.74 0.03 0.00 2.95 0.00 0.00 42.46 42.69 1mc7 s ILE 16 CO -0.07 0.00 0.76 0.54 -1.79 0.00 0.00 174.94 174.38 1mc7 s VAL 17 N -3.05 0.00 0.00 8.37 0.11 0.01 -4.22 120.40 121.63 1mc7 s VAL 17 Ca 0.31 -0.85 0.00 0.00 -2.93 0.00 0.00 61.98 58.51 1mc7 s VAL 17 Cb 0.08 -1.92 0.00 0.00 -1.53 0.00 0.00 36.38 33.01 1mc7 s VAL 17 CO 0.15 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.53 1mc7 n GLY 18 N -0.45 5.25 0.00 6.54 0.00 -1.26 -0.85 105.19 114.41 1mc7 n GLY 18 Ca -0.05 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.19 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 -3.99 1.61 7.27 -1.26 -4.95 117.38 116.06 1mc7 n GLN 19 Ca 0.00 0.00 -0.34 0.00 0.07 0.00 0.00 57.00 56.73 1mc7 n GLN 19 Cb 0.00 0.00 -0.14 0.00 2.41 0.00 0.00 30.24 32.51 1mc7 n GLN 19 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 1mc7 s SER 20 N 0.00 4.51 0.00 1.69 1.04 -1.26 -4.59 113.70 115.09 1mc7 s SER 20 Ca 0.00 -1.20 0.00 0.00 0.48 0.00 0.00 55.95 55.23 1mc7 s SER 20 Cb 0.00 -1.63 0.00 0.00 0.10 0.00 0.00 66.02 64.49 1mc7 s SER 20 CO 0.00 -0.19 0.00 -0.46 0.98 0.00 0.00 173.24 173.57 1mc7 n ASN 21 N 4.56 0.00 0.07 7.02 6.94 -1.26 -4.98 115.26 127.61 1mc7 n ASN 21 Ca -0.15 0.00 -0.12 0.00 -0.02 0.00 0.00 54.58 54.30 1mc7 n ASN 21 Cb 0.44 0.07 -0.05 0.00 -2.36 0.00 0.00 39.78 37.88 1mc7 n ASN 21 CO 0.00 0.00 0.00 -0.78 -1.03 0.00 0.00 177.26 175.45 1mc7 h ASP 22 N 0.00 -0.79 0.00 0.53 3.58 -1.96 -3.44 116.42 114.34 1mc7 h ASP 22 Ca 0.00 0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.55 1mc7 h ASP 22 Cb 0.00 0.32 0.00 0.00 1.72 0.00 0.00 39.33 41.37 1mc7 h ASP 22 CO 0.00 -0.34 0.00 0.54 -2.88 0.00 0.00 179.24 176.56 1mc7 n ARG 23 N -5.38 0.00 0.00 0.28 5.12 -1.26 -5.14 116.66 110.27 1mc7 n ARG 23 Ca -0.05 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.87 1mc7 n ARG 23 Cb 0.30 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.60 1mc7 n ARG 23 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1mc7 n GLY 24 N 0.00 0.67 3.13 -0.13 0.00 -1.26 -4.86 105.19 102.73 1mc7 n GLY 24 Ca 0.00 -0.50 -0.02 0.00 0.00 0.00 0.00 46.02 45.50 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 -3.28 -6.77 -0.01 1.61 8.00 -1.26 -4.69 116.55 110.16 1mc7 n ASP 25 Ca 0.00 0.55 -0.03 0.00 0.71 0.00 0.00 54.79 56.01 1mc7 n ASP 25 Cb 0.00 -2.21 -0.01 0.00 -0.02 0.00 0.00 41.12 38.87 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 1.12 -0.23 3.14 0.44 0.00 -1.26 -4.80 105.19 103.60 1mc7 n GLY 26 Ca -0.00 -0.12 -0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 2.66 -0.10 3.63 -0.02 0.00 -1.26 -4.59 105.19 105.51 1mc7 n GLY 27 Ca -0.05 0.02 -0.44 0.00 0.00 0.00 0.00 46.02 45.55 1mc7 n GLY 27 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1mc7 n ILE 28 N 1.73 1.76 -4.36 -0.61 2.08 -1.26 -4.92 119.36 113.78 1mc7 n ILE 28 Ca -0.00 -0.44 -0.19 0.00 0.56 0.00 0.00 62.75 62.68 1mc7 n ILE 28 Cb 0.32 -1.21 -0.14 0.00 -0.75 0.00 0.00 39.64 37.86 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 -0.85 1.08 -0.06 1.39 1.13 -0.03 -3.89 117.35 116.12 1mc7 s TYR 29 Ca 0.60 -0.31 -0.39 0.00 -1.41 0.00 0.00 57.07 55.57 1mc7 s TYR 29 Cb -0.67 -0.66 -0.17 0.00 -1.10 0.00 0.00 41.96 39.36 1mc7 s TYR 29 CO 0.59 0.01 1.42 1.51 -2.51 0.00 0.00 175.55 176.57 1mc7 n ILE 30 N 2.16 0.08 -0.13 -3.49 0.13 -0.91 -0.81 119.36 116.39 1mc7 n ILE 30 Ca -0.17 -0.01 -0.07 0.00 -1.10 0.00 0.00 62.75 61.39 1mc7 n ILE 30 Cb 0.55 -0.79 0.01 0.00 -0.84 0.00 0.00 39.64 38.57 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 5.06 0.58 -4.02 4.50 0.00 0.42 -3.36 103.07 106.24 1mc7 h GLY 31 Ca -0.48 -0.20 0.31 0.00 0.00 0.00 0.00 47.33 46.97 1mc7 h GLY 31 CO 0.82 0.18 0.94 -0.56 0.00 0.00 0.00 176.54 177.92 1mc7 s SER 32 N -5.53 -0.04 -0.21 0.19 0.01 -1.26 -4.66 113.70 102.20 1mc7 s SER 32 Ca -0.13 0.00 -0.04 0.00 1.31 0.00 0.00 55.95 57.10 1mc7 s SER 32 Cb 0.11 0.04 -0.01 0.00 0.21 0.00 0.00 66.02 66.37 1mc7 s SER 32 CO 0.72 -0.07 -0.04 -0.63 0.41 0.00 0.00 173.24 173.63 1mc7 s ILE 33 N -2.02 3.45 0.56 1.44 1.09 -1.26 -3.97 121.20 120.50 1mc7 s ILE 33 Ca 0.11 -0.48 0.49 0.00 -1.10 0.00 0.00 60.65 59.67 1mc7 s ILE 33 Cb -0.01 -2.56 0.72 0.00 -1.06 0.00 0.00 42.46 39.55 1mc7 s ILE 33 CO -0.03 0.44 1.56 0.24 -0.10 0.00 0.00 174.94 177.04 1mc7 h MET 34 N 7.81 0.00 -6.50 2.79 2.86 -1.90 -3.44 114.93 116.55 1mc7 h MET 34 Ca -0.38 0.00 -0.50 0.00 -2.06 0.00 0.00 59.70 56.76 1mc7 h MET 34 Cb 1.17 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.85 1mc7 h MET 34 CO 0.60 0.00 -0.95 1.63 1.06 0.00 0.00 176.91 179.25 1mc7 n LYS 35 N -3.89 -1.30 -0.05 1.72 5.02 -1.26 -4.90 118.16 113.49 1mc7 n LYS 35 Ca 0.43 0.33 -0.11 0.00 -2.02 0.00 0.00 58.31 56.94 1mc7 n LYS 35 Cb 1.98 -3.74 -0.04 0.00 -0.02 0.00 0.00 35.03 33.22 1mc7 n LYS 35 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1mc7 n GLY 36 N -1.88 -0.28 0.00 0.72 0.00 -1.26 -4.86 105.19 97.62 1mc7 n GLY 36 Ca -0.14 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 2.20 0.21 0.00 -0.02 0.00 -1.26 -4.88 105.19 101.45 1mc7 n GLY 37 Ca -0.19 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.13 0.00 0.27 4.61 0.00 -1.26 -2.37 120.51 120.63 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 0.43 0.00 0.00 0.00 0.00 19.45 19.88 1mc7 n ALA 38 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1mc7 n VAL 39 N 0.00 1.10 -0.20 0.00 0.31 -1.26 -1.88 118.33 116.40 1mc7 n VAL 39 Ca 0.00 0.46 -0.07 0.00 -0.01 0.00 0.00 64.34 64.72 1mc7 n VAL 39 Cb 0.00 -1.40 0.03 0.00 -0.91 0.00 0.00 33.84 31.56 1mc7 n VAL 39 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1mc7 h ALA 40 N 2.16 0.74 0.00 3.52 0.00 -1.90 -1.37 119.26 122.41 1mc7 h ALA 40 Ca 0.00 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1mc7 h ALA 40 Cb 0.16 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1mc7 h ALA 40 CO 0.00 0.27 -0.22 0.00 0.00 0.00 0.00 179.25 179.29 1mc7 h ALA 41 N 1.14 0.94 -0.77 0.00 0.00 -0.99 -3.04 119.26 116.54 1mc7 h ALA 41 Ca 0.20 -0.20 0.17 0.00 0.00 0.00 0.00 54.91 55.08 1mc7 h ALA 41 Cb 0.06 -0.04 -0.11 0.00 0.00 0.00 0.00 17.79 17.70 1mc7 h ALA 41 CO -0.03 0.28 0.23 0.22 0.00 0.00 0.00 179.25 179.95 1mc7 h ASP 42 N 0.00 0.10 0.00 0.00 3.58 -1.21 -3.44 116.42 115.46 1mc7 h ASP 42 Ca -0.00 0.14 0.00 0.00 0.42 0.00 0.00 57.03 57.59 1mc7 h ASP 42 Cb 0.90 0.17 0.00 0.00 1.72 0.00 0.00 39.33 42.12 1mc7 h ASP 42 CO 0.03 -0.01 0.00 0.61 -2.88 0.00 0.00 179.24 176.99 1mc7 n GLY 43 N -1.35 -0.54 4.02 -0.78 0.00 -1.19 -4.92 105.19 100.45 1mc7 n GLY 43 Ca 0.15 -0.09 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.59 -0.94 1.61 3.00 -1.16 -4.78 116.66 113.80 1mc7 n ARG 44 Ca 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 57.85 57.49 1mc7 n ARG 44 Cb 0.00 -2.31 0.06 0.00 0.00 0.00 0.00 32.46 30.21 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 -4.21 0.00 -4.38 5.15 2.08 -1.26 -5.00 119.36 111.74 1mc7 n ILE 45 Ca -0.17 -0.27 -0.20 0.00 0.56 0.00 0.00 62.75 62.68 1mc7 n ILE 45 Cb 0.51 -0.14 -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 -2.36 1.43 0.09 0.38 2.02 -1.26 -4.82 118.70 114.18 1mc7 s GLU 46 Ca 0.42 -1.68 -0.13 0.00 0.02 0.00 0.00 54.97 53.60 1mc7 s GLU 46 Cb -0.08 -1.12 -0.19 0.00 0.10 0.00 0.00 34.13 32.84 1mc7 s GLU 46 CO 0.73 0.11 1.24 -1.00 0.02 0.00 0.00 175.26 176.36 1mc7 h PRO 47 N 2.43 0.72 -1.39 0.39 0.13 -1.83 -3.19 132.00 129.25 1mc7 h PRO 47 Ca -0.39 -0.70 -0.16 0.00 -0.87 0.00 0.00 66.00 63.87 1mc7 h PRO 47 Cb 1.23 0.18 -0.08 0.00 0.13 0.00 0.00 31.00 32.46 1mc7 h PRO 47 CO 0.64 1.29 0.21 0.41 -0.23 0.00 0.00 178.00 180.32 1mc7 n GLY 48 N 0.94 3.08 0.12 1.56 0.00 -1.26 -2.14 105.19 107.49 1mc7 n GLY 48 Ca -0.09 -0.48 0.01 0.00 0.00 0.00 0.00 46.02 45.46 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 0.81 0.00 -2.13 1.61 3.58 -1.80 -3.34 116.42 115.16 1mc7 h ASP 49 Ca 0.17 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.62 1mc7 h ASP 49 Cb 1.21 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.26 1mc7 h ASP 49 CO 0.37 0.60 0.00 0.80 -2.88 0.00 0.00 179.24 178.13 1mc7 n MET 50 N -3.24 0.00 -3.13 0.28 0.00 -1.26 -3.23 117.12 106.54 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 0.78 -2.02 -0.02 0.00 0.00 0.00 0.00 33.22 31.96 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 -2.13 5.91 0.00 -0.89 1.98 -1.25 -2.10 118.68 120.21 1mc7 s LEU 51 Ca 0.00 -2.35 0.00 0.00 -2.89 0.00 0.00 54.13 48.89 1mc7 s LEU 51 Cb 0.00 -2.30 0.00 0.00 0.66 0.00 0.00 46.19 44.55 1mc7 s LEU 51 CO 0.00 -0.82 0.62 0.00 -1.89 0.00 0.00 176.35 174.26 1mc7 n LEU 52 N 5.26 0.63 -4.10 -0.68 -0.00 -1.23 -4.04 117.00 112.84 1mc7 n LEU 52 Ca 0.18 -0.63 -0.13 0.00 -0.00 0.00 0.00 56.01 55.44 1mc7 n LEU 52 Cb 0.48 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.79 1mc7 n LEU 52 CO 0.42 0.16 -0.40 0.00 -0.00 0.00 0.00 177.39 177.57 1mc7 s GLN 53 N -0.30 0.63 0.06 1.47 -2.07 -0.97 -3.38 119.66 115.10 1mc7 s GLN 53 Ca 0.00 -0.93 0.01 0.00 -1.82 0.00 0.00 55.36 52.62 1mc7 s GLN 53 Cb 0.00 -0.30 -0.03 0.00 -1.09 0.00 0.00 33.01 31.58 1mc7 s GLN 53 CO 0.00 0.04 -0.06 0.08 -1.32 0.00 0.00 175.29 174.03 1mc7 s VAL 54 N -1.99 0.50 0.00 3.63 1.01 -1.17 0.23 120.40 122.60 1mc7 s VAL 54 Ca -0.03 -1.50 0.00 0.00 0.00 0.00 0.00 61.98 60.45 1mc7 s VAL 54 Cb -0.06 -1.12 0.00 0.00 0.00 0.00 0.00 36.38 35.20 1mc7 s VAL 54 CO -0.01 -0.68 0.00 -3.20 0.00 0.00 0.00 175.10 171.21 1mc7 n ASN 55 N 0.70 0.00 0.00 3.32 5.15 0.21 0.16 115.26 124.80 1mc7 n ASN 55 Ca -0.18 0.00 0.08 0.00 -0.60 0.00 0.00 54.58 53.88 1mc7 n ASN 55 Cb 0.58 0.00 0.45 0.00 -0.53 0.00 0.00 39.78 40.28 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 -1.69 0.00 -4.88 1.20 5.68 -1.26 -4.77 116.55 110.83 1mc7 n ASP 56 Ca 0.00 -1.45 -0.30 0.00 -0.50 0.00 0.00 54.79 52.54 1mc7 n ASP 56 Cb 0.00 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 39.96 1mc7 n ASP 56 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1mc7 s VAL 57 N -2.00 4.77 -0.39 2.12 1.01 0.43 -5.06 120.40 121.28 1mc7 s VAL 57 Ca 0.23 0.65 0.05 0.00 0.00 0.00 0.00 61.98 62.91 1mc7 s VAL 57 Cb 0.11 -3.77 0.16 0.00 0.00 0.00 0.00 36.38 32.88 1mc7 s VAL 57 CO 0.18 -0.68 0.47 0.54 0.00 0.00 0.00 175.10 175.60 1mc7 s ASN 58 N -3.46 0.23 -0.15 3.32 4.22 -1.26 -3.05 114.94 114.79 1mc7 s ASN 58 Ca 0.52 -1.35 -0.06 0.00 -2.14 0.00 0.00 52.86 49.84 1mc7 s ASN 58 Cb -0.10 1.04 -0.23 0.00 1.28 0.00 0.00 41.25 43.24 1mc7 s ASN 58 CO 0.37 -0.22 3.26 0.49 -2.04 0.00 0.00 177.10 178.95 1mc7 n PHE 59 N 4.25 0.22 0.16 1.54 3.72 -1.22 -4.50 117.46 121.64 1mc7 n PHE 59 Ca 0.12 -1.50 -0.07 0.00 -0.05 0.00 0.00 57.45 55.95 1mc7 n PHE 59 Cb 0.49 -1.56 -0.03 0.00 -0.94 0.00 0.00 39.48 37.44 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 3.51 -0.42 -0.21 -1.08 5.08 -1.96 -2.36 114.58 117.15 1mc7 h GLU 60 Ca 0.23 0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.68 1mc7 h GLU 60 Cb 1.25 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.59 1mc7 h GLU 60 CO 0.40 -0.28 0.49 -2.95 -1.00 0.00 0.00 179.01 175.67 1mc7 h ASN 61 N -0.57 0.00 0.00 1.42 7.08 -1.99 -2.88 115.58 118.63 1mc7 h ASN 61 Ca -0.04 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.18 1mc7 h ASN 61 Cb 0.33 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.57 1mc7 h ASN 61 CO 0.07 0.00 0.00 0.23 -2.08 0.00 0.00 177.43 175.65 1mc7 n MET 62 N -3.17 0.00 -3.78 4.14 2.81 -1.08 -4.83 117.12 111.22 1mc7 n MET 62 Ca 0.03 0.00 -0.23 0.00 -1.81 0.00 0.00 57.70 55.70 1mc7 n MET 62 Cb 0.59 -0.73 -0.07 0.00 -0.71 0.00 0.00 33.22 32.30 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 0.55 -1.60 7.83 2.88 -0.91 -4.71 113.62 117.23 1mc7 n SER 63 Ca 0.00 -0.90 -0.11 0.00 -1.33 0.00 0.00 58.87 56.53 1mc7 n SER 63 Cb 0.00 -1.13 0.11 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 -1.93 3.40 -2.45 -3.46 5.15 -1.26 -4.82 115.26 109.90 1mc7 n ASN 64 Ca -0.21 -2.80 0.00 0.00 -0.60 0.00 0.00 54.58 50.97 1mc7 n ASN 64 Cb 0.48 -0.67 0.00 0.00 -0.53 0.00 0.00 39.78 39.06 1mc7 n ASN 64 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1mc7 n ASP 65 N -0.29 -0.97 -0.87 1.20 4.64 -1.26 -4.44 116.55 114.57 1mc7 n ASP 65 Ca 0.29 0.49 -0.05 0.00 -1.38 0.00 0.00 54.79 54.14 1mc7 n ASP 65 Cb 1.08 -0.98 -0.05 0.00 -1.04 0.00 0.00 41.12 40.13 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 -1.44 -0.75 0.15 1.67 5.68 -1.26 -4.78 116.55 115.82 1mc7 n ASP 66 Ca 0.00 -1.61 0.10 0.00 -0.50 0.00 0.00 54.79 52.79 1mc7 n ASP 66 Cb 0.49 0.23 0.55 0.00 -1.14 0.00 0.00 41.12 41.24 1mc7 n ASP 66 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1mc7 n ALA 67 N 0.00 1.10 -0.31 2.12 0.00 -1.26 -1.30 120.51 120.86 1mc7 n ALA 67 Ca -0.21 0.18 -0.04 0.00 0.00 0.00 0.00 53.44 53.37 1mc7 n ALA 67 Cb 0.61 -1.31 0.08 0.00 0.00 0.00 0.00 19.45 18.84 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 1.22 -0.85 0.00 2.07 -1.96 0.39 116.25 117.12 1mc7 h VAL 68 Ca 0.00 -0.39 0.25 0.00 0.82 0.00 0.00 66.70 67.37 1mc7 h VAL 68 Cb 0.03 -0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 29.74 1mc7 h VAL 68 CO 0.00 0.21 1.01 -0.09 0.02 0.00 0.00 177.57 178.72 1mc7 h ARG 69 N 1.15 0.00 0.00 1.57 2.43 -1.62 1.09 114.38 119.00 1mc7 h ARG 69 Ca 0.31 0.00 -0.23 0.00 -0.81 0.00 0.00 59.98 59.25 1mc7 h ARG 69 Cb -0.13 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.38 1mc7 h ARG 69 CO -0.07 0.00 -1.83 0.28 -1.51 0.00 0.00 179.97 176.85 1mc7 n VAL 70 N -3.34 0.82 -0.34 0.20 0.31 -0.39 -4.39 118.33 111.19 1mc7 n VAL 70 Ca 0.19 -0.27 0.09 0.00 -0.01 0.00 0.00 64.34 64.34 1mc7 n VAL 70 Cb 1.28 -1.30 0.27 0.00 -0.91 0.00 0.00 33.84 33.17 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 -0.23 0.74 -1.65 7.52 7.12 0.21 1.10 115.31 130.11 1mc7 h LEU 71 Ca -0.35 0.08 0.00 0.00 0.13 0.00 0.00 57.88 57.75 1mc7 h LEU 71 Cb 1.43 -0.05 0.00 0.00 -0.53 0.00 0.00 40.66 41.50 1mc7 h LEU 71 CO -0.13 0.32 0.00 -0.09 -0.13 0.00 0.00 178.44 178.41 1mc7 h ARG 72 N 0.78 0.00 0.00 1.25 2.43 0.87 -0.67 114.38 119.04 1mc7 h ARG 72 Ca 0.52 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.66 1mc7 h ARG 72 Cb 0.71 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.26 1mc7 h ARG 72 CO -0.34 0.00 -0.13 1.05 -1.51 0.00 0.00 179.97 179.04 1mc7 h GLU 73 N 0.00 0.00 0.00 0.20 4.11 0.11 -3.03 114.58 115.96 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 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1mc7 h GLU 73 CO 0.00 0.13 0.00 -0.89 0.07 0.00 0.00 179.01 178.32 1mc7 n ILE 74 N -3.13 0.00 -0.32 -1.06 2.08 -0.26 -1.41 119.36 115.26 1mc7 n ILE 74 Ca 0.03 0.28 0.30 0.00 0.56 0.00 0.00 62.75 63.93 1mc7 n ILE 74 Cb 0.58 -0.87 0.55 0.00 -0.75 0.00 0.00 39.64 39.14 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 -0.35 0.11 1.39 0.24 -1.25 0.42 118.33 118.89 1mc7 n VAL 75 Ca 0.00 1.80 -0.10 0.00 -2.04 0.00 0.00 64.34 64.00 1mc7 n VAL 75 Cb 0.00 -2.94 -0.06 0.00 -1.47 0.00 0.00 33.84 29.37 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 -0.91 0.00 -1.34 0.87 -1.62 -3.41 113.55 107.13 1mc7 h SER 76 Ca 0.78 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 61.42 1mc7 h SER 76 Cb 2.14 0.32 0.00 0.00 -0.44 0.00 0.00 62.40 64.42 1mc7 h SER 76 CO -0.65 -0.36 0.00 0.00 -0.53 0.00 0.00 176.83 175.29 1mc7 n GLN 77 N -4.25 0.00 -0.93 2.24 6.02 0.17 -4.95 117.38 115.68 1mc7 n GLN 77 Ca -0.06 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.57 1mc7 n GLN 77 Cb 0.26 0.00 0.06 0.00 1.02 0.00 0.00 30.24 31.58 1mc7 n GLN 77 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1mc7 n THR 78 N 0.00 0.00 -0.04 5.09 -2.24 -1.25 -4.65 114.28 111.18 1mc7 n THR 78 Ca 0.00 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 1mc7 n THR 78 Cb 0.00 -0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.08 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 3.09 0.90 3.78 3.38 0.00 -1.26 -3.83 105.19 111.24 1mc7 n GLY 79 Ca -0.01 -1.17 -0.37 0.00 0.00 0.00 0.00 46.02 44.47 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 -3.08 4.23 0.38 1.61 0.04 -1.26 -4.55 135.00 132.37 1mc7 s PRO 80 Ca 0.00 1.56 -0.24 0.00 0.04 0.00 0.00 61.00 62.36 1mc7 s PRO 80 Cb 0.00 -2.64 -0.10 0.00 0.04 0.00 0.00 34.50 31.80 1mc7 s PRO 80 CO 0.00 -0.09 0.98 0.42 0.04 0.00 0.00 177.00 178.34 1mc7 s ILE 81 N -1.58 4.13 0.00 0.56 1.01 -1.26 -4.50 121.20 119.56 1mc7 s ILE 81 Ca 0.56 1.56 0.00 0.00 0.00 0.00 0.00 60.65 62.77 1mc7 s ILE 81 Cb -0.24 -3.77 0.00 0.00 0.01 0.00 0.00 42.46 38.46 1mc7 s ILE 81 CO 0.30 -0.06 0.00 -1.20 0.00 0.00 0.00 174.94 173.98 1mc7 n SER 82 N -0.05 0.00 -3.29 3.58 7.64 -1.26 -4.74 113.62 115.50 1mc7 n SER 82 Ca 0.05 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.63 1mc7 n SER 82 Cb 0.51 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 -3.34 -3.90 -3.43 4.77 -1.26 0.66 117.00 110.50 1mc7 n LEU 83 Ca 0.00 0.42 -0.11 0.00 -0.03 0.00 0.00 56.01 56.29 1mc7 n LEU 83 Cb 0.00 -0.65 -0.12 0.00 -2.33 0.00 0.00 43.42 40.32 1mc7 n LEU 83 CO 0.00 -4.00 -0.31 -0.89 -1.33 0.00 0.00 177.39 170.85 1mc7 s THR 84 N -1.57 0.04 0.07 -5.08 2.01 0.63 -3.81 115.64 107.93 1mc7 s THR 84 Ca 0.41 -0.36 0.04 0.00 0.31 0.00 0.00 61.69 62.09 1mc7 s THR 84 Cb -0.33 -0.17 -0.03 0.00 0.01 0.00 0.00 72.50 71.98 1mc7 s THR 84 CO 0.55 -0.20 -0.11 0.68 -0.69 0.00 0.00 174.62 174.86 1mc7 s VAL 85 N -0.60 0.88 -0.44 3.82 -7.23 -1.26 -2.30 120.40 113.27 1mc7 s VAL 85 Ca -0.07 -1.39 0.04 0.00 -1.81 0.00 0.00 61.98 58.75 1mc7 s VAL 85 Cb -0.04 -1.07 0.47 0.00 0.56 0.00 0.00 36.38 36.30 1mc7 s VAL 85 CO -0.00 -0.41 1.58 0.00 -0.31 0.00 0.00 175.10 175.96 1mc7 n ALA 86 N 1.01 5.41 -1.16 1.32 0.00 -0.89 -2.00 120.51 124.20 1mc7 n ALA 86 Ca -0.19 -3.53 0.13 0.00 0.00 0.00 0.00 53.44 49.85 1mc7 n ALA 86 Cb 0.56 -0.98 -0.05 0.00 0.00 0.00 0.00 19.45 18.98 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 -0.88 -2.20 0.00 0.00 3.00 -1.20 -4.97 118.16 111.91 1mc7 n LYS 87 Ca 0.50 1.63 0.00 0.00 -0.00 0.00 0.00 58.31 60.44 1mc7 n LYS 87 Cb 0.90 -2.77 0.00 0.00 0.00 0.00 0.00 35.03 33.15 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 -2.83 0.00 -3.54 3.14 0.00 -1.25 -4.44 120.51 111.59 1mc7 n ALA 88 Ca -0.02 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.19 1mc7 n ALA 88 Cb 0.63 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.11 1mc7 n ALA 88 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 1mc7 n TRP 89 N 0.00 -2.19 -3.15 0.00 -0.00 -1.26 -4.61 117.44 106.23 1mc7 n TRP 89 Ca 0.00 0.68 0.06 0.00 -0.00 0.00 0.00 57.50 58.24 1mc7 n TRP 89 Cb 0.00 -3.52 -0.01 0.00 -0.00 0.00 0.00 31.31 27.78 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 -3.29 -0.25 -0.52 5.87 -1.08 -1.26 -4.98 116.67 111.16 1mc7 s ASP 90 Ca 0.31 0.07 -0.28 0.00 -0.52 0.00 0.00 52.55 52.13 1mc7 s ASP 90 Cb -0.10 1.17 0.01 0.00 -1.46 0.00 0.00 42.92 42.54 1mc7 s ASP 90 CO 0.84 -0.05 1.48 -2.16 0.52 0.00 0.00 175.17 175.80 1mc7 s PRO 91 N 2.97 3.30 -0.00 4.34 0.04 -1.26 -4.95 135.00 139.44 1mc7 s PRO 91 Ca 0.18 0.63 -0.05 0.00 0.04 0.00 0.00 61.00 61.80 1mc7 s PRO 91 Cb -0.04 -4.13 -0.04 0.00 0.04 0.00 0.00 34.50 30.33 1mc7 s PRO 91 CO -0.18 -1.93 0.23 -0.08 0.04 0.00 0.00 177.00 175.09 1mc7 s THR 92 N 6.26 5.36 0.92 1.26 -1.32 -1.26 -5.10 115.64 121.76 1mc7 s THR 92 Ca 0.57 0.06 -0.12 0.00 -1.21 0.00 0.00 61.69 60.99 1mc7 s THR 92 Cb -0.12 -3.55 0.14 0.00 -1.51 0.00 0.00 72.50 67.46 1mc7 s THR 92 CO 0.27 0.36 1.14 -2.16 -2.21 0.00 0.00 174.62 172.02 1mc7 s PRO 93 N -1.78 1.10 0.46 7.08 0.04 -1.26 -5.08 135.00 135.56 1mc7 s PRO 93 Ca 0.27 0.28 0.08 0.00 0.04 0.00 0.00 61.00 61.67 1mc7 s PRO 93 Cb -0.13 -1.84 0.03 0.00 0.04 0.00 0.00 34.50 32.60 1mc7 s PRO 93 CO 0.16 -2.22 0.61 -0.98 0.04 0.00 0.00 177.00 174.61 1mc7 s ARG 94 N -5.29 2.69 0.00 4.56 1.70 -1.26 -4.98 118.95 116.37 1mc7 s ARG 94 Ca 0.64 -1.36 0.00 0.00 -0.47 0.00 0.00 55.73 54.54 1mc7 s ARG 94 Cb -0.15 -2.71 0.00 0.00 -0.57 0.00 0.00 34.95 31.53 1mc7 s ARG 94 CO 0.53 -0.41 0.00 0.43 -1.08 0.00 0.00 175.30 174.77