#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ul7 s SER 2 N 0.00 7.01 -0.14 1.61 0.15 -1.26 -5.01 113.70 116.06 1ul7 s SER 2 Ca 0.00 1.52 -0.14 0.00 0.70 0.00 0.00 55.95 58.03 1ul7 s SER 2 Cb 0.00 -2.46 -0.05 0.00 -1.71 0.00 0.00 66.02 61.79 1ul7 s SER 2 CO 0.00 -0.14 -0.28 -0.24 1.20 0.00 0.00 173.24 173.78 1ul7 n SER 3 N 0.09 1.76 0.00 5.45 2.88 -1.26 -5.13 113.62 117.40 1ul7 n SER 3 Ca 0.02 0.29 0.00 0.00 -1.33 0.00 0.00 58.87 57.85 1ul7 n SER 3 Cb 0.52 -0.66 0.00 0.00 -0.75 0.00 0.00 64.21 63.32 1ul7 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ul7 n GLY 4 N 1.82 3.22 3.18 0.46 0.00 -1.26 -5.18 105.19 107.43 1ul7 n GLY 4 Ca -0.15 -0.02 -0.17 0.00 0.00 0.00 0.00 46.02 45.68 1ul7 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ul7 s SER 5 N 2.00 1.62 -0.45 1.61 0.01 -1.26 -5.12 113.70 112.12 1ul7 s SER 5 Ca 0.00 -0.70 -0.15 0.00 1.31 0.00 0.00 55.95 56.41 1ul7 s SER 5 Cb 0.00 -0.03 0.05 0.00 0.21 0.00 0.00 66.02 66.25 1ul7 s SER 5 CO 0.00 -0.15 0.35 -0.44 0.41 0.00 0.00 173.24 173.42 1ul7 s SER 6 N -2.05 6.11 0.00 2.44 0.01 -1.26 -5.00 113.70 113.96 1ul7 s SER 6 Ca 0.01 -1.16 0.00 0.00 1.31 0.00 0.00 55.95 56.11 1ul7 s SER 6 Cb -0.07 -2.17 0.00 0.00 0.21 0.00 0.00 66.02 63.99 1ul7 s SER 6 CO 0.02 -0.56 0.77 0.61 0.41 0.00 0.00 173.24 174.48 1ul7 n GLY 7 N 5.18 -2.93 3.50 3.44 0.00 -1.26 -4.75 105.19 108.36 1ul7 n GLY 7 Ca -0.12 0.24 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 1ul7 n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ul7 s ARG 8 N -2.07 -2.06 -0.31 1.61 0.52 -1.26 -5.01 118.95 110.37 1ul7 s ARG 8 Ca 0.00 -0.15 0.16 0.00 -0.52 0.00 0.00 55.73 55.22 1ul7 s ARG 8 Cb 0.00 -1.51 0.47 0.00 0.52 0.00 0.00 34.95 34.44 1ul7 s ARG 8 CO 0.00 -4.25 1.07 1.97 0.02 0.00 0.00 175.30 174.12 1ul7 n PHE 9 N -5.13 1.80 -3.95 -0.53 -1.74 -1.26 -5.00 117.46 101.65 1ul7 n PHE 9 Ca 0.15 -2.50 -0.19 0.00 -0.56 0.00 0.00 57.45 54.35 1ul7 n PHE 9 Cb 0.60 -0.27 -0.17 0.00 1.52 0.00 0.00 39.48 41.16 1ul7 n PHE 9 CO 0.00 0.00 0.00 0.99 -0.56 0.00 0.00 176.76 177.19 1ul7 s THR 10 N -3.99 0.31 -1.24 1.97 2.01 -1.26 -4.87 115.64 108.58 1ul7 s THR 10 Ca 0.34 0.05 -0.05 0.00 0.31 0.00 0.00 61.69 62.34 1ul7 s THR 10 Cb 0.39 -0.41 -0.01 0.00 0.01 0.00 0.00 72.50 72.48 1ul7 s THR 10 CO -0.02 0.20 0.74 1.87 -0.69 0.00 0.00 174.62 176.72 1ul7 n TRP 11 N 4.40 -1.98 -3.93 4.92 -0.00 -1.26 -4.99 117.44 114.61 1ul7 n TRP 11 Ca -0.20 0.76 -0.26 0.00 -0.00 0.00 0.00 57.50 57.80 1ul7 n TRP 11 Cb 0.50 -4.14 -0.17 0.00 -0.00 0.00 0.00 31.31 27.50 1ul7 n TRP 11 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 177.69 176.15 1ul7 s SER 12 N -4.05 1.99 0.07 5.87 1.04 -1.26 -5.11 113.70 112.25 1ul7 s SER 12 Ca 0.16 -0.25 -0.00 0.00 0.48 0.00 0.00 55.95 56.34 1ul7 s SER 12 Cb -0.04 -0.74 -0.04 0.00 0.10 0.00 0.00 66.02 65.29 1ul7 s SER 12 CO 0.81 -0.12 -0.04 -0.32 0.98 0.00 0.00 173.24 174.55 1ul7 s MET 13 N 1.68 0.69 -0.17 4.02 0.00 -1.26 -5.08 119.30 119.18 1ul7 s MET 13 Ca 0.03 -1.26 -0.24 0.00 0.00 0.00 0.00 55.69 54.22 1ul7 s MET 13 Cb -0.13 0.06 -0.22 0.00 0.00 0.00 0.00 34.83 34.55 1ul7 s MET 13 CO -0.07 -0.08 0.47 -0.22 0.00 0.00 0.00 175.02 175.13 1ul7 h LYS 14 N 3.08 0.00 -6.11 4.11 1.63 -2.00 -3.46 116.57 113.82 1ul7 h LYS 14 Ca -0.34 0.00 -0.78 0.00 -0.85 0.00 0.00 60.65 58.68 1ul7 h LYS 14 Cb 1.15 0.00 0.02 0.00 -0.60 0.00 0.00 32.23 32.80 1ul7 h LYS 14 CO 0.65 0.94 0.81 2.41 -3.45 0.00 0.00 179.45 180.81 1ul7 n THR 15 N -4.54 0.20 -3.80 1.00 -1.04 -1.26 -4.94 114.28 99.91 1ul7 n THR 15 Ca -0.20 -0.04 -0.12 0.00 -2.04 0.00 0.00 64.05 61.65 1ul7 n THR 15 Cb 0.55 -0.98 -0.10 0.00 -1.82 0.00 0.00 70.33 67.98 1ul7 n THR 15 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1ul7 s THR 16 N 3.18 0.04 -0.12 12.58 -4.23 -1.26 -4.30 115.64 121.53 1ul7 s THR 16 Ca 0.99 -0.31 -0.12 0.00 -1.18 0.00 0.00 61.69 61.08 1ul7 s THR 16 Cb -1.19 -0.45 -0.05 0.00 1.34 0.00 0.00 72.50 72.16 1ul7 s THR 16 CO 0.69 -0.17 0.25 -0.55 -0.54 0.00 0.00 174.62 174.30 1ul7 s SER 17 N -0.67 6.47 -0.19 3.99 0.15 -1.20 -4.89 113.70 117.36 1ul7 s SER 17 Ca -0.08 0.55 0.01 0.00 0.70 0.00 0.00 55.95 57.13 1ul7 s SER 17 Cb -0.04 -2.15 0.23 0.00 -1.71 0.00 0.00 66.02 62.35 1ul7 s SER 17 CO 0.02 0.24 1.50 -1.54 1.20 0.00 0.00 173.24 174.66 1ul7 n SER 18 N 2.76 3.98 -3.42 5.45 3.41 -1.26 -3.51 113.62 121.02 1ul7 n SER 18 Ca -0.15 -2.68 -0.21 0.00 -0.26 0.00 0.00 58.87 55.58 1ul7 n SER 18 Cb 0.53 -0.73 -0.06 0.00 -0.26 0.00 0.00 64.21 63.68 1ul7 n SER 18 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1ul7 n MET 19 N 0.06 0.61 -2.01 4.33 2.81 -1.26 -5.11 117.12 116.55 1ul7 n MET 19 Ca 0.23 -2.87 -0.33 0.00 -1.81 0.00 0.00 57.70 52.92 1ul7 n MET 19 Cb 0.85 1.62 0.01 0.00 -0.71 0.00 0.00 33.22 34.99 1ul7 n MET 19 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1ul7 s ASP 20 N -3.08 5.72 0.54 7.83 1.11 -1.26 -4.62 116.67 122.91 1ul7 s ASP 20 Ca 0.18 1.83 0.34 0.00 0.18 0.00 0.00 52.55 55.08 1ul7 s ASP 20 Cb 0.01 -2.53 1.39 0.00 1.07 0.00 0.00 42.92 42.86 1ul7 s ASP 20 CO 0.13 -1.21 1.99 1.55 1.18 0.00 0.00 175.17 178.81 1ul7 h PRO 21 N 0.38 0.00 -0.35 8.23 0.13 -1.96 -3.05 132.00 135.37 1ul7 h PRO 21 Ca -0.47 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.57 1ul7 h PRO 21 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 1ul7 h PRO 21 CO 0.57 0.00 -0.13 0.77 -0.23 0.00 0.00 178.00 178.98 1ul7 h SER 22 N 0.00 0.72 -0.45 1.44 0.02 -2.02 -3.13 113.55 110.14 1ul7 h SER 22 Ca 0.00 -0.39 -0.14 0.00 -0.84 0.00 0.00 61.79 60.42 1ul7 h SER 22 Cb 0.49 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.82 1ul7 h SER 22 CO 0.00 0.95 -0.26 -0.78 -1.14 0.00 0.00 176.83 175.60 1ul7 h ASP 23 N 0.50 1.01 -0.99 3.07 3.58 -1.93 -3.04 116.42 118.61 1ul7 h ASP 23 Ca 0.08 -0.40 0.24 0.00 0.42 0.00 0.00 57.03 57.37 1ul7 h ASP 23 Cb 0.65 -0.28 -0.12 0.00 1.72 0.00 0.00 39.33 41.30 1ul7 h ASP 23 CO 0.04 1.20 0.58 0.24 -2.88 0.00 0.00 179.24 178.42 1ul7 h MET 24 N 0.83 0.56 -0.34 0.28 2.86 -1.50 0.64 114.93 118.26 1ul7 h MET 24 Ca 0.10 -0.03 0.10 0.00 -2.06 0.00 0.00 59.70 57.80 1ul7 h MET 24 Cb 0.84 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.36 1ul7 h MET 24 CO 0.07 0.37 0.26 0.52 1.06 0.00 0.00 176.91 179.20 1ul7 h MET 25 N 0.58 0.00 0.00 1.72 2.86 -1.51 0.27 114.93 118.84 1ul7 h MET 25 Ca 0.63 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 58.20 1ul7 h MET 25 Cb 1.19 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.84 1ul7 h MET 25 CO -0.47 0.00 -0.54 -0.09 1.06 0.00 0.00 176.91 176.86 1ul7 h ARG 26 N 0.00 0.00 -0.57 1.72 2.43 0.11 -3.34 114.38 114.73 1ul7 h ARG 26 Ca 0.16 0.00 0.07 0.00 -0.81 0.00 0.00 59.98 59.40 1ul7 h ARG 26 Cb 0.69 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.18 1ul7 h ARG 26 CO -0.00 0.56 0.25 1.49 -1.51 0.00 0.00 179.97 180.76 1ul7 h GLU 27 N -1.00 0.45 -0.73 0.20 4.81 -1.03 0.17 114.58 117.46 1ul7 h GLU 27 Ca -0.11 -0.03 0.16 0.00 -0.13 0.00 0.00 59.36 59.25 1ul7 h GLU 27 Cb 0.79 -0.10 -0.13 0.00 0.63 0.00 0.00 28.75 29.93 1ul7 h GLU 27 CO -0.07 0.30 -0.08 0.82 -0.73 0.00 0.00 179.01 179.25 1ul7 h ILE 28 N 0.47 0.32 0.06 2.32 2.04 -0.65 -1.34 117.51 120.72 1ul7 h ILE 28 Ca 0.27 -0.02 -0.00 0.00 1.00 0.00 0.00 64.86 66.11 1ul7 h ILE 28 Cb 0.26 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 36.60 1ul7 h ILE 28 CO -0.23 0.01 -0.03 0.03 0.00 0.00 0.00 178.15 177.93 1ul7 h ARG 29 N 0.05 -0.08 -0.92 2.37 3.08 -1.53 -3.08 114.38 114.28 1ul7 h ARG 29 Ca 0.38 0.01 0.30 0.00 0.07 0.00 0.00 59.98 60.73 1ul7 h ARG 29 Cb 0.63 0.02 -0.17 0.00 0.08 0.00 0.00 29.97 30.53 1ul7 h ARG 29 CO -0.69 0.51 0.18 1.17 -1.07 0.00 0.00 179.97 180.07 1ul7 n LYS 30 N -4.81 -0.07 0.24 0.04 4.81 -0.01 -0.92 118.16 117.44 1ul7 n LYS 30 Ca -0.08 1.34 -0.10 0.00 -0.87 0.00 0.00 58.31 58.60 1ul7 n LYS 30 Cb 0.31 -2.22 -0.05 0.00 0.02 0.00 0.00 35.03 33.09 1ul7 n LYS 30 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1ul7 h VAL 31 N 0.00 0.00 -0.30 3.15 2.07 -1.33 -3.22 116.25 116.62 1ul7 h VAL 31 Ca 0.63 -0.31 0.03 0.00 0.82 0.00 0.00 66.70 67.88 1ul7 h VAL 31 Cb 1.46 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.20 1ul7 h VAL 31 CO -0.81 0.00 -0.18 0.18 0.02 0.00 0.00 177.57 176.78 1ul7 n LEU 32 N -4.61 -0.32 -0.29 2.57 4.77 -0.10 0.45 117.00 119.47 1ul7 n LEU 32 Ca -0.08 1.15 0.23 0.00 -0.03 0.00 0.00 56.01 57.27 1ul7 n LEU 32 Cb 0.26 -0.38 0.43 0.00 -2.33 0.00 0.00 43.42 41.40 1ul7 n LEU 32 CO 0.20 -0.74 0.85 0.61 -1.33 0.00 0.00 177.39 176.98 1ul7 n GLY 33 N -1.07 -0.86 0.19 -0.72 0.00 -0.66 0.13 105.19 102.20 1ul7 n GLY 33 Ca 0.01 0.77 -0.05 0.00 0.00 0.00 0.00 46.02 46.75 1ul7 n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ul7 h ALA 34 N 1.77 0.60 -0.23 4.61 0.00 -0.01 -1.34 119.26 124.66 1ul7 h ALA 34 Ca 0.68 0.02 -0.13 0.00 0.00 0.00 0.00 54.91 55.48 1ul7 h ALA 34 Cb 1.67 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 19.34 1ul7 h ALA 34 CO -0.74 -0.13 0.16 0.09 0.00 0.00 0.00 179.25 178.64 1ul7 n ASN 35 N -4.91 3.80 -3.77 0.00 3.02 0.34 -4.80 115.26 108.93 1ul7 n ASN 35 Ca 0.04 -2.45 -0.28 0.00 -0.03 0.00 0.00 54.58 51.86 1ul7 n ASN 35 Cb 0.13 -0.70 -0.03 0.00 -0.61 0.00 0.00 39.78 38.57 1ul7 n ASN 35 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1ul7 n ASN 36 N 0.32 -2.44 -4.89 6.41 4.13 -0.50 -4.90 115.26 113.38 1ul7 n ASN 36 Ca 0.14 -0.63 -0.31 0.00 1.68 0.00 0.00 54.58 55.45 1ul7 n ASN 36 Cb 0.71 -2.08 -0.05 0.00 -1.54 0.00 0.00 39.78 36.83 1ul7 n ASN 36 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1ul7 s ASP 38 N -2.52 6.13 0.05 0.00 2.15 -0.31 -4.11 116.67 118.06 1ul7 s ASP 38 Ca 0.43 0.13 0.08 0.00 0.43 0.00 0.00 52.55 53.62 1ul7 s ASP 38 Cb -0.12 -2.11 -0.03 0.00 -0.30 0.00 0.00 42.92 40.37 1ul7 s ASP 38 CO 0.24 0.06 -0.22 -0.72 -0.17 0.00 0.00 175.17 174.36 1ul7 s TYR 39 N 1.06 1.95 -0.03 -5.34 1.13 -1.25 -1.07 117.35 113.80 1ul7 s TYR 39 Ca 0.08 -0.39 -0.01 0.00 -1.41 0.00 0.00 57.07 55.34 1ul7 s TYR 39 Cb -0.13 -1.15 0.03 0.00 -1.10 0.00 0.00 41.96 39.60 1ul7 s TYR 39 CO 0.04 0.12 0.05 -2.00 -2.51 0.00 0.00 175.55 171.25 1ul7 s GLU 40 N -1.29 -0.06 -0.70 -3.49 2.12 -1.13 -4.89 118.70 109.26 1ul7 s GLU 40 Ca 0.09 0.32 -0.26 0.00 0.36 0.00 0.00 54.97 55.47 1ul7 s GLU 40 Cb -0.09 -0.43 -0.03 0.00 0.26 0.00 0.00 34.13 33.83 1ul7 s GLU 40 CO 0.02 -0.28 1.91 -1.14 -0.54 0.00 0.00 175.26 175.23 1ul7 s GLN 41 N 1.82 2.58 0.00 4.30 2.00 -1.26 -1.70 119.66 127.40 1ul7 s GLN 41 Ca 0.01 0.36 0.00 0.00 -2.00 0.00 0.00 55.36 53.72 1ul7 s GLN 41 Cb -0.12 -4.60 0.00 0.00 0.80 0.00 0.00 33.01 29.09 1ul7 s GLN 41 CO -0.03 -2.96 0.00 0.54 -0.50 0.00 0.00 175.29 172.34 1ul7 n ARG 42 N 9.08 0.00 -2.51 1.67 5.12 -0.48 -5.00 116.66 124.55 1ul7 n ARG 42 Ca 0.27 0.19 -0.23 0.00 -1.93 0.00 0.00 57.85 56.15 1ul7 n ARG 42 Cb 0.50 -0.63 0.08 0.00 -1.16 0.00 0.00 32.46 31.25 1ul7 n ARG 42 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1ul7 s GLU 43 N -0.52 2.01 0.31 5.56 0.41 -1.04 -4.93 118.70 120.50 1ul7 s GLU 43 Ca 0.00 -0.83 0.07 0.00 -0.41 0.00 0.00 54.97 53.80 1ul7 s GLU 43 Cb 0.00 -2.33 0.79 0.00 -1.78 0.00 0.00 34.13 30.80 1ul7 s GLU 43 CO 0.00 -1.21 1.77 0.07 -0.49 0.00 0.00 175.26 175.40 1ul7 h ARG 44 N -0.39 0.69 -0.57 1.61 0.11 -2.03 -2.76 114.38 111.05 1ul7 h ARG 44 Ca -0.40 -0.04 -0.34 0.00 0.10 0.00 0.00 59.98 59.30 1ul7 h ARG 44 Cb 1.28 -0.16 -0.41 0.00 1.11 0.00 0.00 29.97 31.80 1ul7 h ARG 44 CO 0.47 0.46 -1.03 1.19 0.10 0.00 0.00 179.97 181.16 1ul7 n PHE 45 N -4.79 1.71 -4.01 4.08 3.01 -1.26 -5.06 117.46 111.14 1ul7 n PHE 45 Ca 0.24 -2.22 -0.14 0.00 1.01 0.00 0.00 57.45 56.34 1ul7 n PHE 45 Cb 0.62 -0.26 -0.14 0.00 -0.01 0.00 0.00 39.48 39.68 1ul7 n PHE 45 CO 0.00 0.00 0.00 -1.17 1.01 0.00 0.00 176.76 176.60 1ul7 s LEU 46 N -3.71 1.94 0.28 4.37 0.20 -1.04 -2.34 118.68 118.38 1ul7 s LEU 46 Ca 0.34 -0.05 0.04 0.00 0.69 0.00 0.00 54.13 55.15 1ul7 s LEU 46 Cb 0.35 -0.15 -0.06 0.00 -0.43 0.00 0.00 46.19 45.91 1ul7 s LEU 46 CO -0.02 0.02 0.02 -0.76 -0.29 0.00 0.00 176.35 175.33 1ul7 s LEU 47 N 0.02 2.22 -0.32 -0.68 1.43 0.14 -1.38 118.68 120.11 1ul7 s LEU 47 Ca 0.00 -1.29 0.03 0.00 -1.03 0.00 0.00 54.13 51.84 1ul7 s LEU 47 Cb -0.02 -0.38 0.09 0.00 0.03 0.00 0.00 46.19 45.91 1ul7 s LEU 47 CO -0.00 -0.53 0.02 0.12 0.23 0.00 0.00 176.35 176.18 1ul7 s PHE 48 N -3.30 3.42 0.43 0.29 5.36 -0.69 -1.39 117.98 122.10 1ul7 s PHE 48 Ca 0.33 -2.70 -0.18 0.00 -0.96 0.00 0.00 56.93 53.41 1ul7 s PHE 48 Cb 0.07 -2.56 -0.10 0.00 -0.34 0.00 0.00 43.02 40.09 1ul7 s PHE 48 CO 0.13 -0.92 0.90 0.00 -1.46 0.00 0.00 175.22 173.87 1ul7 s VAL 50 N -2.25 -0.25 -0.03 0.00 1.01 -0.23 -2.83 120.40 115.82 1ul7 s VAL 50 Ca 0.59 0.08 -0.17 0.00 0.00 0.00 0.00 61.98 62.48 1ul7 s VAL 50 Cb -0.09 -0.74 0.03 0.00 0.00 0.00 0.00 36.38 35.58 1ul7 s VAL 50 CO 0.19 0.03 0.37 -2.28 0.00 0.00 0.00 175.10 173.42 1ul7 s HIS 51 N 1.86 -0.28 -0.09 5.22 2.46 -0.99 -1.17 115.29 122.30 1ul7 s HIS 51 Ca -0.08 0.47 -0.02 0.00 0.47 0.00 0.00 55.06 55.90 1ul7 s HIS 51 Cb -0.09 0.15 -0.05 0.00 -0.13 0.00 0.00 32.58 32.46 1ul7 s HIS 51 CO -0.15 -0.41 -0.10 0.41 -2.47 0.00 0.00 174.74 172.02 1ul7 n GLY 52 N 1.36 -0.14 4.13 1.59 0.00 -1.26 -0.81 105.19 110.06 1ul7 n GLY 52 Ca -0.20 -0.05 -0.30 0.00 0.00 0.00 0.00 46.02 45.46 1ul7 n GLY 52 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ul7 n ASP 53 N -3.13 -0.92 0.00 1.61 -0.08 -1.26 -4.49 116.55 108.28 1ul7 n ASP 53 Ca -0.17 -1.08 0.00 0.00 -1.51 0.00 0.00 54.79 52.03 1ul7 n ASP 53 Cb 0.65 -2.59 0.00 0.00 2.34 0.00 0.00 41.12 41.52 1ul7 n ASP 53 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1ul7 n GLY 54 N -1.91 -0.31 3.96 0.27 0.00 -1.26 -5.13 105.19 100.80 1ul7 n GLY 54 Ca -0.19 -0.07 -0.23 0.00 0.00 0.00 0.00 46.02 45.53 1ul7 n GLY 54 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ul7 s HIS 55 N 0.00 2.74 -0.04 1.61 3.76 -1.26 -5.03 115.29 117.06 1ul7 s HIS 55 Ca 0.00 0.13 -0.22 0.00 -0.15 0.00 0.00 55.06 54.83 1ul7 s HIS 55 Cb 0.00 -2.96 -0.32 0.00 1.11 0.00 0.00 32.58 30.41 1ul7 s HIS 55 CO 0.00 -1.18 0.90 0.00 -0.85 0.00 0.00 174.74 173.61 1ul7 h ALA 56 N -0.26 -0.10 0.00 -1.40 0.00 -2.00 -3.24 119.26 112.26 1ul7 h ALA 56 Ca -0.42 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 53.78 1ul7 h ALA 56 Cb 1.30 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1ul7 h ALA 56 CO 0.54 0.39 0.10 0.39 0.00 0.00 0.00 179.25 180.67 1ul7 n GLU 57 N -4.10 0.11 -1.25 0.00 1.02 -1.26 -0.59 120.64 114.57 1ul7 n GLU 57 Ca -0.14 0.60 -0.13 0.00 -0.02 0.00 0.00 57.16 57.46 1ul7 n GLU 57 Cb 0.84 -1.96 0.13 0.00 -0.02 0.00 0.00 31.44 30.43 1ul7 n GLU 57 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1ul7 n ASN 58 N -2.11 3.79 -4.68 1.62 5.03 -1.22 -5.02 115.26 112.66 1ul7 n ASN 58 Ca -0.01 -3.80 -0.42 0.00 0.87 0.00 0.00 54.58 51.22 1ul7 n ASN 58 Cb 0.12 -0.57 -0.03 0.00 -1.02 0.00 0.00 39.78 38.29 1ul7 n ASN 58 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 1ul7 s LEU 59 N -3.44 4.28 0.06 3.41 1.98 0.24 -4.83 118.68 120.38 1ul7 s LEU 59 Ca 0.48 1.95 -0.14 0.00 -2.89 0.00 0.00 54.13 53.53 1ul7 s LEU 59 Cb 0.42 -3.55 -0.06 0.00 0.66 0.00 0.00 46.19 43.65 1ul7 s LEU 59 CO -0.00 -0.71 0.46 -0.69 -1.89 0.00 0.00 176.35 173.52 1ul7 s VAL 60 N 2.74 4.97 0.02 1.68 1.01 0.01 -4.90 120.40 125.93 1ul7 s VAL 60 Ca 0.61 0.80 0.03 0.00 0.00 0.00 0.00 61.98 63.41 1ul7 s VAL 60 Cb -0.28 -3.73 -0.02 0.00 0.00 0.00 0.00 36.38 32.36 1ul7 s VAL 60 CO 0.23 0.44 -0.08 -1.10 0.00 0.00 0.00 175.10 174.58 1ul7 s GLN 61 N -1.46 0.60 -0.22 2.72 -0.21 -1.26 -2.35 119.66 117.48 1ul7 s GLN 61 Ca 0.30 -0.53 -0.28 0.00 0.02 0.00 0.00 55.36 54.87 1ul7 s GLN 61 Cb -0.16 -0.52 0.13 0.00 1.00 0.00 0.00 33.01 33.46 1ul7 s GLN 61 CO 0.16 0.13 1.04 1.67 -2.12 0.00 0.00 175.29 176.17 1ul7 s TRP 62 N -0.73 -0.39 0.67 0.91 -2.14 -1.13 -2.13 118.94 114.00 1ul7 s TRP 62 Ca -0.02 0.81 0.02 0.00 2.66 0.00 0.00 56.10 59.56 1ul7 s TRP 62 Cb -0.06 0.42 0.11 0.00 -3.10 0.00 0.00 33.47 30.83 1ul7 s TRP 62 CO 0.00 -0.28 0.92 -1.21 -2.66 0.00 0.00 176.95 173.73 1ul7 s GLU 63 N -0.52 1.91 -0.27 3.25 2.02 -1.20 -0.27 118.70 123.62 1ul7 s GLU 63 Ca 0.01 -1.18 -0.09 0.00 0.02 0.00 0.00 54.97 53.73 1ul7 s GLU 63 Cb -0.02 -2.42 0.12 0.00 0.10 0.00 0.00 34.13 31.91 1ul7 s GLU 63 CO -0.02 -1.23 0.58 -1.64 0.02 0.00 0.00 175.26 172.96 1ul7 s MET 64 N -4.99 0.50 0.03 1.61 -1.94 -0.48 -3.96 119.30 110.07 1ul7 s MET 64 Ca 0.64 1.33 0.01 0.00 -1.71 0.00 0.00 55.69 55.97 1ul7 s MET 64 Cb -0.06 0.71 -0.02 0.00 2.01 0.00 0.00 34.83 37.47 1ul7 s MET 64 CO 0.42 -0.21 -0.06 -2.00 -0.01 0.00 0.00 175.02 173.16 1ul7 s GLU 65 N 2.80 0.43 -0.23 2.03 -6.30 -1.21 0.27 118.70 116.50 1ul7 s GLU 65 Ca -0.05 -0.69 -0.13 0.00 -2.50 0.00 0.00 54.97 51.61 1ul7 s GLU 65 Cb -0.12 -0.11 -0.05 0.00 0.00 0.00 0.00 34.13 33.86 1ul7 s GLU 65 CO -0.17 0.00 0.26 0.08 0.02 0.00 0.00 175.26 175.46 1ul7 s VAL 66 N -1.41 5.29 0.12 3.70 1.01 -0.99 -0.97 120.40 127.15 1ul7 s VAL 66 Ca -0.13 0.40 0.09 0.00 0.00 0.00 0.00 61.98 62.34 1ul7 s VAL 66 Cb -0.10 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 1ul7 s VAL 66 CO -0.00 0.30 -0.21 0.00 0.00 0.00 0.00 175.10 175.19 1ul7 s LYS 68 N -2.18 3.64 0.11 0.00 1.02 -1.26 -2.30 119.74 118.76 1ul7 s LYS 68 Ca 0.10 -2.28 -0.34 0.00 0.02 0.00 0.00 55.97 53.48 1ul7 s LYS 68 Cb -0.09 -4.60 -0.18 0.00 -0.52 0.00 0.00 37.83 32.44 1ul7 s LYS 68 CO 0.05 -1.45 0.79 1.28 -0.92 0.00 0.00 175.35 175.10 1ul7 n LEU 69 N 4.77 -0.60 0.02 3.17 4.77 -1.13 -4.89 117.00 123.12 1ul7 n LEU 69 Ca 0.18 1.14 -0.13 0.00 -0.03 0.00 0.00 56.01 57.18 1ul7 n LEU 69 Cb 0.47 -0.94 -0.09 0.00 -2.33 0.00 0.00 43.42 40.53 1ul7 n LEU 69 CO 0.40 -2.44 0.59 1.55 -1.33 0.00 0.00 177.39 176.15 1ul7 h PRO 70 N 1.99 -0.09 0.11 3.23 0.13 -1.95 -3.38 132.00 132.03 1ul7 h PRO 70 Ca -0.39 0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.74 1ul7 h PRO 70 Cb 1.43 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.59 1ul7 h PRO 70 CO 0.61 0.36 -0.05 0.00 -0.23 0.00 0.00 178.00 178.68 1ul7 h ARG 71 N -0.59 -0.14 -7.02 0.86 3.08 -1.99 -3.46 114.38 105.13 1ul7 h ARG 71 Ca -0.01 0.01 -0.51 0.00 0.07 0.00 0.00 59.98 59.54 1ul7 h ARG 71 Cb 0.49 0.03 0.07 0.00 0.08 0.00 0.00 29.97 30.65 1ul7 h ARG 71 CO 0.02 0.07 0.48 -0.51 -1.07 0.00 0.00 179.97 178.96 1ul7 s LEU 72 N -8.69 3.97 -0.71 3.04 1.43 -1.26 -4.94 118.68 111.51 1ul7 s LEU 72 Ca -0.06 2.31 -0.03 0.00 -1.03 0.00 0.00 54.13 55.33 1ul7 s LEU 72 Cb -0.00 -4.29 0.24 0.00 0.03 0.00 0.00 46.19 42.17 1ul7 s LEU 72 CO 0.20 -1.00 2.31 -1.20 0.23 0.00 0.00 176.35 176.89 1ul7 n SER 73 N -0.63 7.15 -3.16 2.29 7.64 -1.26 -4.40 113.62 121.25 1ul7 n SER 73 Ca 0.08 -3.59 -0.17 0.00 1.01 0.00 0.00 58.87 56.20 1ul7 n SER 73 Cb 0.48 -1.14 -0.05 0.00 -1.01 0.00 0.00 64.21 62.49 1ul7 n SER 73 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1ul7 n LEU 74 N 0.03 0.00 -4.10 -3.43 4.77 -1.26 -5.02 117.00 107.98 1ul7 n LEU 74 Ca 0.52 -3.08 -0.35 0.00 -0.03 0.00 0.00 56.01 53.07 1ul7 n LEU 74 Cb 0.35 2.29 -0.12 0.00 -2.33 0.00 0.00 43.42 43.61 1ul7 n LEU 74 CO 0.45 -0.63 -0.21 0.54 -1.33 0.00 0.00 177.39 176.21 1ul7 s ASN 75 N -3.31 5.14 1.11 -1.43 2.20 -1.23 -2.82 114.94 114.61 1ul7 s ASN 75 Ca 0.34 -2.01 -0.16 0.00 -0.94 0.00 0.00 52.86 50.09 1ul7 s ASN 75 Cb 0.00 -1.78 0.23 0.00 -2.00 0.00 0.00 41.25 37.70 1ul7 s ASN 75 CO 0.24 -0.50 1.05 0.61 -2.94 0.00 0.00 177.10 175.56 1ul7 n GLY 76 N 4.53 -2.13 3.12 0.45 0.00 -0.97 -3.27 105.19 106.91 1ul7 n GLY 76 Ca -0.02 -1.59 -0.28 0.00 0.00 0.00 0.00 46.02 44.14 1ul7 n GLY 76 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ul7 s VAL 77 N -3.10 1.53 0.05 1.61 1.01 -1.26 -3.05 120.40 117.18 1ul7 s VAL 77 Ca 0.63 -0.72 -0.23 0.00 0.00 0.00 0.00 61.98 61.66 1ul7 s VAL 77 Cb -0.04 -1.35 -0.06 0.00 0.00 0.00 0.00 36.38 34.94 1ul7 s VAL 77 CO 0.47 0.44 0.68 -0.60 0.00 0.00 0.00 175.10 176.08 1ul7 s ARG 78 N 0.41 4.40 -0.23 2.72 6.06 -0.14 -4.92 118.95 127.23 1ul7 s ARG 78 Ca -0.14 0.91 -0.01 0.00 -2.50 0.00 0.00 55.73 54.00 1ul7 s ARG 78 Cb -0.16 -3.32 0.07 0.00 0.06 0.00 0.00 34.95 31.60 1ul7 s ARG 78 CO 0.05 0.41 -0.00 -0.06 -2.50 0.00 0.00 175.30 173.20 1ul7 s PHE 79 N -0.41 1.91 -0.47 5.12 0.40 -1.26 -3.33 117.98 119.95 1ul7 s PHE 79 Ca 0.34 -1.51 -0.15 0.00 -0.60 0.00 0.00 56.93 55.01 1ul7 s PHE 79 Cb -0.20 -1.46 0.07 0.00 0.51 0.00 0.00 43.02 41.94 1ul7 s PHE 79 CO 0.21 -0.74 0.38 0.21 0.70 0.00 0.00 175.22 175.98 1ul7 s LYS 80 N 1.56 2.95 -0.59 0.44 2.20 -1.25 -4.95 119.74 120.10 1ul7 s LYS 80 Ca -0.02 -1.35 -0.26 0.00 -0.36 0.00 0.00 55.97 53.98 1ul7 s LYS 80 Cb -0.18 -4.11 -0.07 0.00 -1.51 0.00 0.00 37.83 31.97 1ul7 s LYS 80 CO -0.09 -1.02 2.25 0.50 -0.36 0.00 0.00 175.35 176.63 1ul7 s ARG 81 N 1.63 2.17 -0.05 4.03 3.52 -1.26 -3.26 118.95 125.73 1ul7 s ARG 81 Ca 0.04 0.98 -0.22 0.00 -0.13 0.00 0.00 55.73 56.40 1ul7 s ARG 81 Cb -0.24 -4.60 -0.17 0.00 -1.56 0.00 0.00 34.95 28.39 1ul7 s ARG 81 CO 0.06 -3.33 0.92 0.82 -0.81 0.00 0.00 175.30 172.96 1ul7 h ILE 82 N 7.47 0.94 -1.88 4.11 1.08 -1.82 -3.46 117.51 123.96 1ul7 h ILE 82 Ca -0.19 -1.17 -0.17 0.00 -0.39 0.00 0.00 64.86 62.94 1ul7 h ILE 82 Cb 1.19 1.58 0.10 0.00 -3.07 0.00 0.00 36.82 36.62 1ul7 h ILE 82 CO 1.16 0.24 -0.08 -0.24 -0.69 0.00 0.00 178.15 178.53 1ul7 n SER 83 N -4.91 -3.00 -0.00 1.72 2.88 -1.22 -4.95 113.62 104.14 1ul7 n SER 83 Ca -0.08 -0.41 0.04 0.00 -1.33 0.00 0.00 58.87 57.09 1ul7 n SER 83 Cb 0.27 -0.72 -0.05 0.00 -0.75 0.00 0.00 64.21 62.96 1ul7 n SER 83 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ul7 n GLY 84 N -1.22 0.11 3.87 0.46 0.00 -1.26 -5.02 105.19 102.12 1ul7 n GLY 84 Ca 0.06 -0.25 -0.21 0.00 0.00 0.00 0.00 46.02 45.62 1ul7 n GLY 84 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ul7 s THR 85 N -1.91 2.96 -0.18 2.61 -1.32 -1.26 -5.08 115.64 111.46 1ul7 s THR 85 Ca 0.03 -1.36 -0.17 0.00 -1.21 0.00 0.00 61.69 58.99 1ul7 s THR 85 Cb 0.07 -3.06 -0.06 0.00 -1.51 0.00 0.00 72.50 67.93 1ul7 s THR 85 CO 0.37 -0.06 -0.33 -1.54 -2.21 0.00 0.00 174.62 170.84 1ul7 n SER 86 N -1.48 1.90 -0.32 8.08 3.41 -1.26 -4.04 113.62 119.90 1ul7 n SER 86 Ca 0.02 0.32 0.15 0.00 -0.26 0.00 0.00 58.87 59.10 1ul7 n SER 86 Cb 0.61 -0.73 0.29 0.00 -0.26 0.00 0.00 64.21 64.12 1ul7 n SER 86 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1ul7 n ILE 87 N -4.39 -0.39 -0.16 -1.33 -0.00 -1.26 0.13 119.36 111.97 1ul7 n ILE 87 Ca -0.18 2.04 -0.10 0.00 -0.00 0.00 0.00 62.75 64.51 1ul7 n ILE 87 Cb 0.54 -2.99 -0.00 0.00 -0.00 0.00 0.00 39.64 37.19 1ul7 n ILE 87 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1ul7 h ALA 88 N 1.86 0.59 -0.70 -1.39 0.00 -1.97 -2.51 119.26 115.15 1ul7 h ALA 88 Ca 0.58 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1ul7 h ALA 88 Cb 1.22 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1ul7 h ALA 88 CO -0.87 0.32 0.00 0.34 0.00 0.00 0.00 179.25 179.04 1ul7 n PHE 89 N -4.47 0.00 -0.16 0.00 7.35 0.35 -2.63 117.46 117.90 1ul7 n PHE 89 Ca 0.00 0.00 0.27 0.00 -0.76 0.00 0.00 57.45 56.97 1ul7 n PHE 89 Cb 0.25 -0.38 0.53 0.00 0.35 0.00 0.00 39.48 40.22 1ul7 n PHE 89 CO 0.00 0.00 0.00 -0.22 -0.76 0.00 0.00 176.76 175.78 1ul7 h LYS 90 N 0.00 0.00 0.14 -4.13 3.11 -1.21 0.27 116.57 114.75 1ul7 h LYS 90 Ca 0.00 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1ul7 h LYS 90 Cb 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.23 1ul7 h LYS 90 CO 0.00 0.00 -0.12 -0.97 -2.81 0.00 0.00 179.45 175.55 1ul7 h ASN 91 N 0.00 -0.32 0.75 4.20 -0.73 -1.20 -1.72 115.58 116.56 1ul7 h ASN 91 Ca 0.44 0.02 -0.25 0.00 1.87 0.00 0.00 56.30 58.38 1ul7 h ASN 91 Cb 2.53 0.10 -0.02 0.00 0.27 0.00 0.00 38.32 41.21 1ul7 h ASN 91 CO -0.00 -0.16 -1.22 -0.29 -0.37 0.00 0.00 177.43 175.38 1ul7 h ILE 92 N -0.25 1.48 -0.47 2.57 6.09 -1.23 -3.28 117.51 122.43 1ul7 h ILE 92 Ca -0.02 -3.15 0.12 0.00 -1.37 0.00 0.00 64.86 60.45 1ul7 h ILE 92 Cb 0.21 2.83 -0.02 0.00 0.47 0.00 0.00 36.82 40.31 1ul7 h ILE 92 CO -0.01 0.88 0.33 0.00 -3.07 0.00 0.00 178.15 176.29 1ul7 h ALA 93 N 0.78 2.36 0.00 0.18 0.00 -0.57 0.27 119.26 122.27 1ul7 h ALA 93 Ca -0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1ul7 h ALA 93 Cb 1.90 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.70 1ul7 h ALA 93 CO 0.16 -0.49 -0.16 1.03 0.00 0.00 0.00 179.25 179.79 1ul7 h SER 94 N 0.07 0.00 0.83 0.00 0.87 -1.37 -3.19 113.55 110.76 1ul7 h SER 94 Ca 0.22 -0.01 -0.18 0.00 -1.23 0.00 0.00 61.79 60.59 1ul7 h SER 94 Cb 0.80 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.74 1ul7 h SER 94 CO -0.02 0.00 -0.86 0.11 -0.53 0.00 0.00 176.83 175.54 1ul7 h LYS 95 N 0.00 0.02 0.08 2.24 1.79 -0.57 -3.17 116.57 116.96 1ul7 h LYS 95 Ca 0.00 -0.02 -0.00 0.00 -2.18 0.00 0.00 60.65 58.44 1ul7 h LYS 95 Cb 0.94 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.60 1ul7 h LYS 95 CO 0.00 0.87 -0.04 0.82 -1.08 0.00 0.00 179.45 180.02 1ul7 h ILE 96 N 0.01 0.00 -0.98 1.86 1.08 -1.50 -2.85 117.51 115.13 1ul7 h ILE 96 Ca -0.01 -0.37 0.14 0.00 -0.39 0.00 0.00 64.86 64.22 1ul7 h ILE 96 Cb 1.52 0.00 -0.15 0.00 -3.07 0.00 0.00 36.82 35.12 1ul7 h ILE 96 CO 0.11 0.00 -0.41 0.00 -0.69 0.00 0.00 178.15 177.16 1ul7 n ALA 97 N -2.35 -0.20 -0.36 1.87 0.00 -1.21 -0.40 120.51 117.87 1ul7 n ALA 97 Ca -0.01 0.95 0.00 0.00 0.00 0.00 0.00 53.44 54.38 1ul7 n ALA 97 Cb 0.04 -0.39 0.00 0.00 0.00 0.00 0.00 19.45 19.11 1ul7 n ALA 97 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1ul7 n ASN 98 N -5.41 0.00 -0.32 0.00 5.15 -1.20 -3.15 115.26 110.34 1ul7 n ASN 98 Ca 0.09 0.82 -0.02 0.00 -0.60 0.00 0.00 54.58 54.87 1ul7 n ASN 98 Cb 0.37 -0.32 0.01 0.00 -0.53 0.00 0.00 39.78 39.31 1ul7 n ASN 98 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1ul7 n GLU 99 N -1.60 -0.22 -1.10 1.20 -0.58 -0.97 -4.36 120.64 113.02 1ul7 n GLU 99 Ca 0.00 1.24 -0.38 0.00 -0.42 0.00 0.00 57.16 57.60 1ul7 n GLU 99 Cb 0.00 -1.83 -0.11 0.00 -0.57 0.00 0.00 31.44 28.93 1ul7 n GLU 99 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1ul7 n LEU 100 N -5.16 0.36 -3.60 -4.62 4.77 0.47 -4.74 117.00 104.48 1ul7 n LEU 100 Ca 0.07 0.29 -0.41 0.00 -0.03 0.00 0.00 56.01 55.93 1ul7 n LEU 100 Cb 0.30 -0.71 -0.01 0.00 -2.33 0.00 0.00 43.42 40.67 1ul7 n LEU 100 CO -0.11 -0.58 2.64 0.29 -1.33 0.00 0.00 177.39 178.30 1ul7 n LYS 101 N 6.34 3.63 0.00 3.23 4.76 -1.26 -4.98 118.16 129.87 1ul7 n LYS 101 Ca 0.48 -2.91 0.05 0.00 -2.87 0.00 0.00 58.31 53.06 1ul7 n LYS 101 Cb 0.00 -2.94 0.04 0.00 -1.84 0.00 0.00 35.03 30.29 1ul7 n LYS 101 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31