#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cx6 s ILE 3 N 0.00 4.48 0.01 2.41 -1.09 -1.26 0.41 121.20 126.15 2cx6 s ILE 3 Ca 0.00 -0.14 0.06 0.00 -2.23 0.00 0.00 60.65 58.34 2cx6 s ILE 3 Cb 0.00 -3.03 -0.02 0.00 -1.58 0.00 0.00 42.46 37.83 2cx6 s ILE 3 CO 0.00 0.43 -0.18 -0.31 -1.23 0.00 0.00 174.94 173.65 2cx6 s TYR 4 N 0.75 1.61 -0.02 3.97 1.51 -0.17 -4.96 117.35 120.04 2cx6 s TYR 4 Ca 0.02 -0.32 0.08 0.00 -1.01 0.00 0.00 57.07 55.84 2cx6 s TYR 4 Cb -0.14 -1.00 -0.02 0.00 -0.11 0.00 0.00 41.96 40.69 2cx6 s TYR 4 CO 0.02 0.01 -0.26 0.99 -1.11 0.00 0.00 175.55 175.20 2cx6 s THR 5 N -0.56 2.04 -0.24 -0.71 2.01 -1.26 -0.29 115.64 116.62 2cx6 s THR 5 Ca 0.06 -1.11 0.02 0.00 0.31 0.00 0.00 61.69 60.98 2cx6 s THR 5 Cb -0.07 -1.69 0.05 0.00 0.01 0.00 0.00 72.50 70.80 2cx6 s THR 5 CO 0.00 0.57 -0.13 -0.36 -0.69 0.00 0.00 174.62 174.02 2cx6 s PHE 6 N -0.61 3.12 -0.45 4.92 0.40 0.11 -4.94 117.98 120.53 2cx6 s PHE 6 Ca 0.10 -2.15 -0.22 0.00 -0.60 0.00 0.00 56.93 54.05 2cx6 s PHE 6 Cb -0.10 -1.91 0.03 0.00 0.51 0.00 0.00 43.02 41.55 2cx6 s PHE 6 CO -0.01 -0.86 0.74 0.34 0.70 0.00 0.00 175.22 176.13 2cx6 s ASP 7 N 1.16 6.38 0.00 1.36 -1.08 -1.26 -0.15 116.67 123.07 2cx6 s ASP 7 Ca -0.06 -0.20 0.18 0.00 -0.52 0.00 0.00 52.55 51.95 2cx6 s ASP 7 Cb -0.18 -2.36 1.05 0.00 -1.46 0.00 0.00 42.92 39.96 2cx6 s ASP 7 CO -0.07 -0.88 1.53 0.49 0.52 0.00 0.00 175.17 176.76 2cx6 n PHE 8 N 6.58 0.00 0.41 -5.34 3.01 0.94 -2.26 117.46 120.80 2cx6 n PHE 8 Ca 0.01 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.60 2cx6 n PHE 8 Cb 0.48 0.00 0.46 0.00 -0.01 0.00 0.00 39.48 40.41 2cx6 n PHE 8 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 2cx6 h ASP 9 N 0.00 0.00 -0.12 4.37 3.32 -1.78 -3.06 116.42 119.15 2cx6 h ASP 9 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2cx6 h ASP 9 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2cx6 h ASP 9 CO 0.00 0.00 0.00 -0.62 -1.72 0.00 0.00 179.24 176.90 2cx6 n GLU 10 N -2.56 1.31 -4.88 3.56 1.02 -0.96 -4.94 120.64 113.20 2cx6 n GLU 10 Ca 0.03 -1.40 -0.32 0.00 -0.02 0.00 0.00 57.16 55.44 2cx6 n GLU 10 Cb 0.35 -1.19 -0.17 0.00 -0.02 0.00 0.00 31.44 30.41 2cx6 n GLU 10 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2cx6 s ILE 11 N -0.85 2.09 0.00 -3.67 1.01 -1.16 -5.00 121.20 113.62 2cx6 s ILE 11 Ca 0.14 -0.99 0.00 0.00 0.00 0.00 0.00 60.65 59.80 2cx6 s ILE 11 Cb 0.08 -1.82 0.00 0.00 0.01 0.00 0.00 42.46 40.74 2cx6 s ILE 11 CO 0.12 0.55 0.00 -0.62 0.00 0.00 0.00 174.94 174.99 2cx6 n GLU 12 N 3.85 0.92 -4.47 2.79 -0.58 -1.26 -4.84 120.64 117.06 2cx6 n GLU 12 Ca -0.20 0.00 -0.22 0.00 -0.42 0.00 0.00 57.16 56.32 2cx6 n GLU 12 Cb 0.52 -0.97 -0.11 0.00 -0.57 0.00 0.00 31.44 30.32 2cx6 n GLU 12 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 2cx6 s SER 13 N -2.02 2.52 0.31 1.62 1.04 -1.26 -5.01 113.70 110.91 2cx6 s SER 13 Ca 0.00 -1.37 0.09 0.00 0.48 0.00 0.00 55.95 55.15 2cx6 s SER 13 Cb 0.00 -0.12 0.50 0.00 0.10 0.00 0.00 66.02 66.51 2cx6 s SER 13 CO 0.00 -0.59 1.71 1.56 0.98 0.00 0.00 173.24 176.91 2cx6 h GLN 14 N 2.09 0.11 -0.53 4.02 4.20 -1.97 -2.45 115.11 120.57 2cx6 h GLN 14 Ca -0.41 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.24 2cx6 h GLN 14 Cb 1.24 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 29.00 2cx6 h GLN 14 CO 0.71 0.55 0.30 0.93 -0.67 0.00 0.00 178.83 180.64 2cx6 h GLU 15 N 0.09 0.71 -0.47 1.46 4.39 -1.95 0.15 114.58 118.97 2cx6 h GLU 15 Ca 0.00 -0.06 -0.07 0.00 0.34 0.00 0.00 59.36 59.57 2cx6 h GLU 15 Cb 0.85 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 29.33 2cx6 h GLU 15 CO 0.06 0.52 -0.00 -0.44 -1.16 0.00 0.00 179.01 177.99 2cx6 h ASP 16 N 0.72 0.74 0.74 1.42 3.32 -1.84 -3.04 116.42 118.49 2cx6 h ASP 16 Ca 0.19 -0.18 -0.04 0.00 0.02 0.00 0.00 57.03 57.03 2cx6 h ASP 16 Cb -0.00 -0.20 0.01 0.00 0.22 0.00 0.00 39.33 39.36 2cx6 h ASP 16 CO -0.03 0.81 -0.35 0.15 -1.72 0.00 0.00 179.24 178.09 2cx6 h PHE 17 N 0.72 -0.92 -0.98 4.55 3.57 -0.84 -1.39 116.94 121.65 2cx6 h PHE 17 Ca 0.14 -0.02 0.32 0.00 3.53 0.00 0.00 57.97 61.93 2cx6 h PHE 17 Cb 0.45 0.30 -0.15 0.00 2.79 0.00 0.00 35.95 39.34 2cx6 h PHE 17 CO 0.02 -0.55 0.49 1.88 -2.23 0.00 0.00 178.31 177.92 2cx6 h TYR 18 N -1.20 0.79 -0.12 0.41 0.99 -1.38 0.49 116.97 116.96 2cx6 h TYR 18 Ca -0.10 0.04 -0.16 0.00 2.00 0.00 0.00 58.73 60.51 2cx6 h TYR 18 Cb 0.78 -0.19 0.01 0.00 1.00 0.00 0.00 36.73 38.33 2cx6 h TYR 18 CO -0.00 -0.22 -0.54 -0.09 -0.00 0.00 0.00 178.16 177.31 2cx6 h ARG 19 N 0.26 0.58 -0.22 4.88 2.43 -1.48 -0.38 114.38 120.46 2cx6 h ARG 19 Ca 0.71 -0.46 -0.09 0.00 -0.81 0.00 0.00 59.98 59.32 2cx6 h ARG 19 Cb 1.62 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 31.25 2cx6 h ARG 19 CO -0.64 1.09 -0.27 0.22 -1.51 0.00 0.00 179.97 178.86 2cx6 h ASP 20 N 0.22 0.43 0.27 -3.80 3.58 0.52 -0.30 116.42 117.34 2cx6 h ASP 20 Ca -0.03 -0.15 -0.01 0.00 0.42 0.00 0.00 57.03 57.26 2cx6 h ASP 20 Cb 1.18 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 42.12 2cx6 h ASP 20 CO 0.11 0.69 -0.13 0.15 -2.88 0.00 0.00 179.24 177.19 2cx6 h PHE 21 N 0.38 -0.34 -0.66 0.28 3.57 -0.14 0.18 116.94 120.21 2cx6 h PHE 21 Ca 0.05 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.60 2cx6 h PHE 21 Cb 0.67 0.11 -0.05 0.00 2.79 0.00 0.00 35.95 39.47 2cx6 h PHE 21 CO 0.02 -0.03 0.37 0.77 -2.23 0.00 0.00 178.31 177.21 2cx6 h SER 22 N -0.67 0.54 -0.56 0.41 0.02 -0.92 -0.77 113.55 111.61 2cx6 h SER 22 Ca -0.04 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2cx6 h SER 22 Cb 0.47 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.90 2cx6 h SER 22 CO 0.06 0.35 0.36 1.56 -1.14 0.00 0.00 176.83 178.03 2cx6 h GLN 23 N 0.68 0.75 -0.30 3.45 4.20 -0.98 0.26 115.11 123.17 2cx6 h GLN 23 Ca 0.29 -0.05 -0.10 0.00 0.06 0.00 0.00 58.65 58.85 2cx6 h GLN 23 Cb 0.18 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 2cx6 h GLN 23 CO -0.18 0.51 -0.23 1.15 -0.67 0.00 0.00 178.83 179.41 2cx6 h THR 24 N 0.76 1.27 -0.63 -0.54 2.02 0.55 -3.00 112.91 113.34 2cx6 h THR 24 Ca 0.21 -1.27 0.00 0.00 0.77 0.00 0.00 66.41 66.11 2cx6 h THR 24 Cb -0.07 1.29 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 2cx6 h THR 24 CO -0.04 0.41 0.00 0.49 0.37 0.00 0.00 175.52 176.75 2cx6 n PHE 25 N -4.12 1.79 -3.82 3.16 3.01 -0.41 -4.94 117.46 112.13 2cx6 n PHE 25 Ca -0.00 -0.66 -0.30 0.00 1.01 0.00 0.00 57.45 57.50 2cx6 n PHE 25 Cb 0.41 -0.37 0.02 0.00 -0.01 0.00 0.00 39.48 39.52 2cx6 n PHE 25 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2cx6 n GLY 26 N 0.93 -0.49 3.88 1.37 0.00 -0.60 -4.96 105.19 105.32 2cx6 n GLY 26 Ca 0.27 0.17 -0.30 0.00 0.00 0.00 0.00 46.02 46.16 2cx6 n GLY 26 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2cx6 s LEU 27 N -7.13 3.86 1.18 0.99 1.43 0.82 -5.02 118.68 114.80 2cx6 s LEU 27 Ca 0.62 1.06 -0.18 0.00 -1.03 0.00 0.00 54.13 54.60 2cx6 s LEU 27 Cb -0.31 -3.93 0.27 0.00 0.03 0.00 0.00 46.19 42.25 2cx6 s LEU 27 CO 0.76 -0.38 1.09 0.00 0.23 0.00 0.00 176.35 178.05 2cx6 s ALA 28 N -2.34 0.49 0.00 4.21 0.00 -1.26 -4.66 121.76 118.20 2cx6 s ALA 28 Ca 0.50 -0.77 0.00 0.00 0.00 0.00 0.00 51.96 51.69 2cx6 s ALA 28 Cb -0.10 -2.96 0.00 0.00 0.00 0.00 0.00 23.12 20.06 2cx6 s ALA 28 CO 0.32 -3.54 0.00 1.17 0.00 0.00 0.00 175.76 173.71 2cx6 n LYS 29 N -4.73 0.00 -2.33 0.00 4.81 -1.26 -2.93 118.16 111.72 2cx6 n LYS 29 Ca 0.11 0.00 -0.24 0.00 -0.87 0.00 0.00 58.31 57.31 2cx6 n LYS 29 Cb 0.59 0.00 0.01 0.00 0.02 0.00 0.00 35.03 35.65 2cx6 n LYS 29 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2cx6 n ASP 30 N -0.20 4.47 0.28 3.14 8.00 -1.26 -4.73 116.55 126.25 2cx6 n ASP 30 Ca 0.00 -3.60 0.17 0.00 0.71 0.00 0.00 54.79 52.07 2cx6 n ASP 30 Cb 0.00 -0.42 0.72 0.00 -0.02 0.00 0.00 41.12 41.40 2cx6 n ASP 30 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 2cx6 h LYS 31 N 2.45 0.00 -3.00 -1.24 1.63 -1.89 -3.37 116.57 111.15 2cx6 h LYS 31 Ca 0.29 0.00 -0.50 0.00 -0.85 0.00 0.00 60.65 59.59 2cx6 h LYS 31 Cb 1.18 0.00 -0.40 0.00 -0.60 0.00 0.00 32.23 32.41 2cx6 h LYS 31 CO 0.77 0.01 -0.76 0.08 -3.45 0.00 0.00 179.45 176.09 2cx6 s VAL 32 N -3.70 0.00 0.00 2.00 1.01 -1.26 -4.69 120.40 113.75 2cx6 s VAL 32 Ca 0.01 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.51 2cx6 s VAL 32 Cb 0.09 -0.81 0.00 0.00 0.00 0.00 0.00 36.38 35.66 2cx6 s VAL 32 CO 0.54 -0.47 0.00 0.54 0.00 0.00 0.00 175.10 175.71 2cx6 n ARG 33 N 5.23 2.04 -3.67 2.72 1.74 -1.26 -4.68 116.66 118.78 2cx6 n ARG 33 Ca -0.07 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.88 2cx6 n ARG 33 Cb 0.46 -0.93 -0.04 0.00 -1.02 0.00 0.00 32.46 30.93 2cx6 n ARG 33 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2cx6 n ASP 34 N -1.51 -0.99 -0.29 0.55 5.68 -1.26 -4.96 116.55 113.76 2cx6 n ASP 34 Ca 0.00 -2.66 0.03 0.00 -0.50 0.00 0.00 54.79 51.66 2cx6 n ASP 34 Cb 0.20 1.93 0.16 0.00 -1.14 0.00 0.00 41.12 42.27 2cx6 n ASP 34 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 2cx6 h LEU 35 N 0.00 0.68 -0.60 -2.12 3.38 -1.98 -1.61 115.31 113.06 2cx6 h LEU 35 Ca -0.22 0.04 -0.12 0.00 0.09 0.00 0.00 57.88 57.67 2cx6 h LEU 35 Cb 1.00 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 2cx6 h LEU 35 CO 0.30 0.39 -0.20 0.44 0.09 0.00 0.00 178.44 179.46 2cx6 h ASP 36 N 0.80 0.92 0.56 -0.43 3.32 -1.98 0.75 116.42 120.35 2cx6 h ASP 36 Ca 0.39 -0.33 -0.14 0.00 0.02 0.00 0.00 57.03 56.96 2cx6 h ASP 36 Cb 0.34 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 2cx6 h ASP 36 CO -0.24 1.09 -0.65 0.77 -1.72 0.00 0.00 179.24 178.49 2cx6 h SER 37 N 0.78 0.09 -0.26 6.45 4.64 -1.82 -1.05 113.55 122.38 2cx6 h SER 37 Ca 0.11 -0.06 -0.08 0.00 -0.47 0.00 0.00 61.79 61.29 2cx6 h SER 37 Cb 0.75 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.81 2cx6 h SER 37 CO 0.06 0.71 -0.13 0.25 -0.87 0.00 0.00 176.83 176.85 2cx6 h LEU 38 N 0.06 0.56 -0.89 5.97 6.46 -1.04 -2.73 115.31 123.70 2cx6 h LEU 38 Ca -0.01 -0.41 -0.03 0.00 -0.12 0.00 0.00 57.88 57.31 2cx6 h LEU 38 Cb 1.15 -0.16 -0.04 0.00 -0.73 0.00 0.00 40.66 40.89 2cx6 h LEU 38 CO 0.09 0.85 0.41 -0.25 -0.62 0.00 0.00 178.44 178.93 2cx6 h TRP 39 N 0.27 1.21 0.16 1.25 2.91 -0.63 -2.30 115.95 118.82 2cx6 h TRP 39 Ca 0.06 -0.05 -0.01 0.00 1.13 0.00 0.00 58.89 60.01 2cx6 h TRP 39 Cb 0.65 -0.38 0.00 0.00 -0.51 0.00 0.00 29.16 28.92 2cx6 h TRP 39 CO 0.06 0.87 -0.08 -0.44 -1.03 0.00 0.00 178.44 177.82 2cx6 h ASP 40 N 1.20 -0.18 -0.48 2.65 3.32 -1.10 -2.20 116.42 119.63 2cx6 h ASP 40 Ca 0.29 -0.01 0.12 0.00 0.02 0.00 0.00 57.03 57.45 2cx6 h ASP 40 Cb 0.11 0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 2cx6 h ASP 40 CO -0.04 -0.11 0.34 0.58 -1.72 0.00 0.00 179.24 178.28 2cx6 h VAL 41 N -0.23 0.80 0.00 -1.35 2.07 -1.36 0.43 116.25 116.60 2cx6 h VAL 41 Ca -0.02 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.47 2cx6 h VAL 41 Cb 0.18 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 2cx6 h VAL 41 CO 0.04 0.02 0.00 0.18 0.02 0.00 0.00 177.57 177.82 2cx6 n LEU 42 N -4.42 2.14 -0.09 2.57 4.77 -0.83 -3.88 117.00 117.26 2cx6 n LEU 42 Ca 0.08 -1.07 0.00 0.00 -0.03 0.00 0.00 56.01 54.99 2cx6 n LEU 42 Cb 0.49 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 2cx6 n LEU 42 CO 0.36 0.39 0.00 0.59 -1.33 0.00 0.00 177.39 177.39 2cx6 n ASN 44 N 0.34 0.00 -2.27 -1.43 3.02 0.15 -4.91 115.26 110.16 2cx6 n ASN 44 Ca 0.00 0.00 -0.14 0.00 -0.03 0.00 0.00 54.58 54.41 2cx6 n ASN 44 Cb 0.39 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.54 2cx6 n ASN 44 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2cx6 n ASP 45 N 0.02 -4.32 0.05 6.41 -0.08 -1.26 -4.88 116.55 112.49 2cx6 n ASP 45 Ca 0.00 0.18 -0.08 0.00 -1.51 0.00 0.00 54.79 53.38 2cx6 n ASP 45 Cb 0.00 -3.69 -0.12 0.00 2.34 0.00 0.00 41.12 39.64 2cx6 n ASP 45 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 2cx6 h VAL 46 N 0.00 1.57 -3.96 5.18 2.07 -1.91 -3.47 116.25 115.72 2cx6 h VAL 46 Ca -0.34 -3.29 -0.48 0.00 0.82 0.00 0.00 66.70 63.41 2cx6 h VAL 46 Cb 1.21 2.79 0.01 0.00 -1.52 0.00 0.00 31.29 33.77 2cx6 h VAL 46 CO 0.41 0.90 0.25 -0.76 0.02 0.00 0.00 177.57 178.39 2cx6 s LEU 47 N -6.65 3.74 -0.41 2.57 1.43 -1.26 -4.94 118.68 113.16 2cx6 s LEU 47 Ca -0.00 1.38 -0.09 0.00 -1.03 0.00 0.00 54.13 54.38 2cx6 s LEU 47 Cb 0.09 -4.28 -0.09 0.00 0.03 0.00 0.00 46.19 41.94 2cx6 s LEU 47 CO 0.82 -0.48 1.58 -2.65 0.23 0.00 0.00 176.35 175.85 2cx6 n PRO 48 N -1.37 0.90 -2.54 1.29 -0.02 -1.26 -4.92 135.00 127.09 2cx6 n PRO 48 Ca 0.05 -1.07 -0.35 0.00 -2.02 0.00 0.00 63.50 60.11 2cx6 n PRO 48 Cb 0.54 -2.34 -0.04 0.00 -0.02 0.00 0.00 33.50 31.64 2cx6 n PRO 48 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2cx6 s LEU 49 N 0.19 3.96 0.36 2.45 1.43 -1.26 -4.04 118.68 121.76 2cx6 s LEU 49 Ca 0.30 1.98 -0.25 0.00 -1.03 0.00 0.00 54.13 55.13 2cx6 s LEU 49 Cb 0.07 -4.42 -0.09 0.00 0.03 0.00 0.00 46.19 41.78 2cx6 s LEU 49 CO 0.05 -0.68 1.01 -2.84 0.23 0.00 0.00 176.35 174.12 2cx6 s PRO 50 N -2.95 4.37 0.23 1.29 0.02 -1.26 -5.05 135.00 131.65 2cx6 s PRO 50 Ca 0.64 1.46 -0.10 0.00 0.02 0.00 0.00 61.00 63.02 2cx6 s PRO 50 Cb -0.19 -2.68 -0.01 0.00 0.02 0.00 0.00 34.50 31.64 2cx6 s PRO 50 CO 0.23 0.05 0.38 -0.48 -0.33 0.00 0.00 177.00 176.85 2cx6 s LEU 51 N -2.33 0.56 -0.03 -5.54 0.05 -0.49 -2.38 118.68 108.51 2cx6 s LEU 51 Ca 0.54 -1.05 0.03 0.00 0.05 0.00 0.00 54.13 53.70 2cx6 s LEU 51 Cb -0.21 1.38 0.00 0.00 -2.05 0.00 0.00 46.19 45.30 2cx6 s LEU 51 CO 0.27 -1.05 -0.11 -0.70 -0.55 0.00 0.00 176.35 174.20 2cx6 s GLU 52 N -4.06 1.18 -0.23 1.48 2.12 0.17 -0.64 118.70 118.73 2cx6 s GLU 52 Ca 0.27 -0.39 -0.06 0.00 0.36 0.00 0.00 54.97 55.15 2cx6 s GLU 52 Cb 0.02 -1.08 -0.02 0.00 0.26 0.00 0.00 34.13 33.30 2cx6 s GLU 52 CO 0.10 0.15 0.03 0.42 -0.54 0.00 0.00 175.26 175.42 2cx6 s ILE 53 N 0.14 4.09 -0.21 -3.70 -1.09 0.17 -1.00 121.20 119.61 2cx6 s ILE 53 Ca -0.03 -0.25 -0.05 0.00 -2.23 0.00 0.00 60.65 58.09 2cx6 s ILE 53 Cb -0.09 -2.89 -0.02 0.00 -1.58 0.00 0.00 42.46 37.88 2cx6 s ILE 53 CO 0.01 0.38 -0.01 -1.61 -1.23 0.00 0.00 174.94 172.47 2cx6 s GLU 54 N 1.39 3.54 -0.35 2.79 2.02 0.60 -1.17 118.70 127.52 2cx6 s GLU 54 Ca 0.05 -0.56 -0.15 0.00 0.02 0.00 0.00 54.97 54.33 2cx6 s GLU 54 Cb -0.15 -3.05 -0.01 0.00 0.10 0.00 0.00 34.13 31.02 2cx6 s GLU 54 CO 0.02 -0.05 0.35 -0.06 0.02 0.00 0.00 175.26 175.54 2cx6 s PHE 55 N 1.15 3.21 0.12 1.61 2.99 0.99 0.05 117.98 128.10 2cx6 s PHE 55 Ca 0.02 -0.06 0.10 0.00 0.00 0.00 0.00 56.93 56.99 2cx6 s PHE 55 Cb -0.14 -2.66 -0.04 0.00 0.00 0.00 0.00 43.02 40.18 2cx6 s PHE 55 CO 0.01 -0.44 -0.21 0.08 -0.00 0.00 0.00 175.22 174.66 2cx6 s VAL 56 N 1.99 2.67 -1.21 -0.44 1.01 0.78 0.68 120.40 125.88 2cx6 s VAL 56 Ca 0.11 -1.57 -0.05 0.00 0.00 0.00 0.00 61.98 60.47 2cx6 s VAL 56 Cb -0.17 -2.21 0.01 0.00 0.00 0.00 0.00 36.38 34.01 2cx6 s VAL 56 CO 0.12 0.10 0.70 1.41 0.00 0.00 0.00 175.10 177.43 2cx6 n HIS 57 N 0.84 -1.93 -3.62 5.22 8.25 -1.26 -0.04 115.22 122.67 2cx6 n HIS 57 Ca -0.16 0.60 -0.39 0.00 -0.26 0.00 0.00 57.72 57.50 2cx6 n HIS 57 Cb 0.53 -4.07 -0.11 0.00 1.12 0.00 0.00 29.99 27.46 2cx6 n HIS 57 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 2cx6 s LEU 58 N -5.82 4.29 0.54 2.41 2.96 -1.26 -4.47 118.68 117.33 2cx6 s LEU 58 Ca 0.35 -0.59 0.09 0.00 -0.22 0.00 0.00 54.13 53.76 2cx6 s LEU 58 Cb -0.15 -2.03 0.07 0.00 0.50 0.00 0.00 46.19 44.58 2cx6 s LEU 58 CO 0.43 -0.24 0.74 -0.83 -1.32 0.00 0.00 176.35 175.14 2cx6 s GLY 59 N 1.62 1.78 0.00 7.98 0.00 -1.26 -4.78 107.32 112.67 2cx6 s GLY 59 Ca 0.04 -2.03 0.00 0.00 0.00 0.00 0.00 44.72 42.74 2cx6 s GLY 59 CO 0.07 -1.63 0.33 1.18 0.00 0.00 0.00 173.10 173.05 2cx6 n GLU 60 N -2.16 0.00 -0.15 2.90 -0.58 -1.26 0.31 120.64 119.70 2cx6 n GLU 60 Ca 0.14 0.33 -0.08 0.00 -0.42 0.00 0.00 57.16 57.13 2cx6 n GLU 60 Cb 0.61 -0.53 0.01 0.00 -0.57 0.00 0.00 31.44 30.96 2cx6 n GLU 60 CO 0.00 0.00 0.00 1.57 -0.48 0.00 0.00 177.13 178.22 2cx6 h LYS 61 N 0.00 0.61 -0.49 3.49 2.10 -1.99 -2.11 116.57 118.18 2cx6 h LYS 61 Ca 0.00 -0.05 -0.10 0.00 -2.00 0.00 0.00 60.65 58.50 2cx6 h LYS 61 Cb 0.00 -0.13 -0.02 0.00 -0.90 0.00 0.00 32.23 31.18 2cx6 h LYS 61 CO 0.00 0.45 -0.09 1.15 -2.00 0.00 0.00 179.45 178.96 2cx6 h THR 62 N 0.61 1.26 -0.51 0.07 2.02 -1.80 0.17 112.91 114.73 2cx6 h THR 62 Ca 0.16 -1.19 0.05 0.00 0.77 0.00 0.00 66.41 66.21 2cx6 h THR 62 Cb -0.01 0.98 -0.05 0.00 -1.74 0.00 0.00 68.15 67.32 2cx6 h THR 62 CO -0.03 0.42 0.23 0.03 0.37 0.00 0.00 175.52 176.53 2cx6 h ARG 63 N 0.81 0.43 -0.37 6.66 2.47 0.07 -0.78 114.38 123.67 2cx6 h ARG 63 Ca 0.13 -0.03 -0.02 0.00 -1.26 0.00 0.00 59.98 58.81 2cx6 h ARG 63 Cb 0.61 -0.10 -0.02 0.00 -1.65 0.00 0.00 29.97 28.81 2cx6 h ARG 63 CO 0.04 0.29 0.14 -0.09 0.56 0.00 0.00 179.97 180.91 2cx6 h ARG 64 N 0.45 0.56 -0.40 0.04 2.43 -0.71 -1.83 114.38 114.92 2cx6 h ARG 64 Ca 0.23 -0.11 -0.04 0.00 -0.81 0.00 0.00 59.98 59.26 2cx6 h ARG 64 Cb 0.18 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 2cx6 h ARG 64 CO -0.19 0.55 0.08 -0.09 -1.51 0.00 0.00 179.97 178.81 2cx6 h ARG 65 N 0.46 0.60 -0.76 0.20 2.43 -0.24 -2.44 114.38 114.63 2cx6 h ARG 65 Ca 0.12 -0.11 -0.14 0.00 -0.81 0.00 0.00 59.98 59.05 2cx6 h ARG 65 Cb 0.20 -0.10 -0.08 0.00 -0.42 0.00 0.00 29.97 29.57 2cx6 h ARG 65 CO -0.01 0.57 0.18 1.19 -1.51 0.00 0.00 179.97 180.39 2cx6 n PHE 66 N -4.31 2.05 0.06 2.20 3.01 -0.34 -4.62 117.46 115.51 2cx6 n PHE 66 Ca 0.02 -0.94 0.10 0.00 1.01 0.00 0.00 57.45 57.64 2cx6 n PHE 66 Cb 0.21 -0.58 0.55 0.00 -0.01 0.00 0.00 39.48 39.65 2cx6 n PHE 66 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 2cx6 h GLY 67 N 3.32 0.31 0.88 1.37 0.00 -0.83 -1.92 103.07 106.21 2cx6 h GLY 67 Ca 0.17 -0.10 -0.03 0.00 0.00 0.00 0.00 47.33 47.37 2cx6 h GLY 67 CO 0.59 0.09 0.06 0.00 0.00 0.00 0.00 176.54 177.28 2cx6 h ALA 68 N 1.81 0.36 -0.58 3.60 0.00 -1.85 0.72 119.26 123.33 2cx6 h ALA 68 Ca 0.15 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2cx6 h ALA 68 Cb 0.26 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 2cx6 h ALA 68 CO -0.03 0.02 0.37 -0.07 0.00 0.00 0.00 179.25 179.54 2cx6 h LEU 69 N 0.27 0.67 -1.03 0.00 3.38 -1.74 0.13 115.31 116.99 2cx6 h LEU 69 Ca 0.09 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 2cx6 h LEU 69 Cb 0.29 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 2cx6 h LEU 69 CO 0.00 0.50 -0.12 0.40 0.09 0.00 0.00 178.44 179.31 2cx6 h ILE 70 N 0.78 1.24 -0.16 1.22 2.04 -1.25 -0.79 117.51 120.59 2cx6 h ILE 70 Ca 0.21 -1.06 -0.04 0.00 1.00 0.00 0.00 64.86 64.97 2cx6 h ILE 70 Cb -0.07 1.13 -0.00 0.00 -0.74 0.00 0.00 36.82 37.13 2cx6 h ILE 70 CO -0.04 0.35 -0.07 0.25 0.00 0.00 0.00 178.15 178.63 2cx6 h LEU 71 N 0.51 0.34 -0.17 1.44 5.85 -0.12 -2.42 115.31 120.74 2cx6 h LEU 71 Ca 0.09 -0.41 0.04 0.00 0.84 0.00 0.00 57.88 58.44 2cx6 h LEU 71 Cb 0.52 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.42 2cx6 h LEU 71 CO 0.03 0.67 -0.07 0.25 -0.34 0.00 0.00 178.44 178.99 2cx6 h LEU 72 N 0.01 -0.24 -1.50 2.25 6.46 -0.51 -2.11 115.31 119.67 2cx6 h LEU 72 Ca 0.04 0.06 -0.05 0.00 -0.12 0.00 0.00 57.88 57.80 2cx6 h LEU 72 Cb 0.54 0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 40.61 2cx6 h LEU 72 CO 0.02 -0.09 -0.26 -0.26 -0.62 0.00 0.00 178.44 177.23 2cx6 h PHE 73 N -0.04 0.00 -0.18 1.25 -1.00 -1.13 -0.71 116.94 115.12 2cx6 h PHE 73 Ca 0.09 0.00 -0.16 0.00 2.81 0.00 0.00 57.97 60.71 2cx6 h PHE 73 Cb 0.18 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.73 2cx6 h PHE 73 CO -0.22 0.26 -0.54 -0.44 -1.61 0.00 0.00 178.31 175.76 2cx6 h ASP 74 N 0.00 0.60 0.18 2.17 3.32 -1.05 -2.30 116.42 119.35 2cx6 h ASP 74 Ca -0.00 -0.32 -0.15 0.00 0.02 0.00 0.00 57.03 56.58 2cx6 h ASP 74 Cb 0.48 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 2cx6 h ASP 74 CO 0.03 1.02 -0.56 -0.33 -1.72 0.00 0.00 179.24 177.69 2cx6 h GLU 75 N 0.42 0.40 -0.50 3.56 5.08 -0.90 -0.62 114.58 122.01 2cx6 h GLU 75 Ca 0.01 -0.25 -0.10 0.00 -1.00 0.00 0.00 59.36 58.02 2cx6 h GLU 75 Cb 1.08 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.34 2cx6 h GLU 75 CO 0.10 0.85 -0.07 0.00 -1.00 0.00 0.00 179.01 178.89 2cx6 h ALA 76 N 1.10 0.93 -0.29 3.43 0.00 -1.02 0.35 119.26 123.75 2cx6 h ALA 76 Ca 0.00 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.55 2cx6 h ALA 76 Cb 1.07 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 2cx6 h ALA 76 CO 0.10 0.63 0.01 1.49 0.00 0.00 0.00 179.25 181.47 2cx6 h GLU 77 N 0.81 0.51 -0.89 0.00 4.81 -1.20 0.25 114.58 118.86 2cx6 h GLU 77 Ca 0.14 -0.16 0.04 0.00 -0.13 0.00 0.00 59.36 59.25 2cx6 h GLU 77 Cb 0.58 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.86 2cx6 h GLU 77 CO 0.04 0.65 0.59 0.93 -0.73 0.00 0.00 179.01 180.48 2cx6 h GLU 78 N 0.30 1.07 0.00 1.92 5.08 -0.68 -2.78 114.58 119.50 2cx6 h GLU 78 Ca 0.08 -0.06 -0.11 0.00 -1.00 0.00 0.00 59.36 58.27 2cx6 h GLU 78 Cb 0.41 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 2cx6 h GLU 78 CO 0.01 0.71 -0.58 0.93 -1.00 0.00 0.00 179.01 179.08 2cx6 h GLU 79 N 1.10 0.00 -1.05 2.33 4.39 -0.53 -3.34 114.58 117.49 2cx6 h GLU 79 Ca 0.36 0.00 -0.60 0.00 0.34 0.00 0.00 59.36 59.46 2cx6 h GLU 79 Cb 0.04 0.00 -0.28 0.00 -0.10 0.00 0.00 28.75 28.41 2cx6 h GLU 79 CO -0.11 0.49 0.77 1.28 -1.16 0.00 0.00 179.01 180.28 2cx6 n LEU 80 N -3.20 7.29 -3.85 1.33 4.77 0.83 -4.93 117.00 119.25 2cx6 n LEU 80 Ca 0.01 -3.99 -0.26 0.00 -0.03 0.00 0.00 56.01 51.74 2cx6 n LEU 80 Cb 0.75 -0.94 -0.01 0.00 -2.33 0.00 0.00 43.42 40.88 2cx6 n LEU 80 CO 0.41 1.33 -0.16 -0.62 -1.33 0.00 0.00 177.39 177.02 2cx6 n GLU 81 N -0.84 -0.67 -0.41 3.23 -0.58 -1.23 0.20 120.64 120.35 2cx6 n GLU 81 Ca 0.58 -0.10 0.00 0.00 -0.42 0.00 0.00 57.16 57.22 2cx6 n GLU 81 Cb 0.90 -1.44 0.00 0.00 -0.57 0.00 0.00 31.44 30.33 2cx6 n GLU 81 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2cx6 n GLY 82 N -1.75 0.01 0.30 0.62 0.00 -1.21 -4.72 105.19 98.43 2cx6 n GLY 82 Ca -0.11 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.09 2cx6 n GLY 82 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2cx6 h HIS 83 N 0.00 0.00 -3.22 1.61 3.86 0.20 -3.38 115.15 114.23 2cx6 h HIS 83 Ca 0.00 0.00 -0.67 0.00 -1.16 0.00 0.00 60.37 58.54 2cx6 h HIS 83 Cb 0.00 0.00 -0.33 0.00 1.06 0.00 0.00 27.41 28.14 2cx6 h HIS 83 CO 0.00 0.04 -0.85 -1.17 0.86 0.00 0.00 177.93 176.81 2cx6 s LEU 84 N -6.49 2.23 -0.08 2.43 0.20 -1.24 -1.40 118.68 114.33 2cx6 s LEU 84 Ca -0.02 -0.56 -0.00 0.00 0.69 0.00 0.00 54.13 54.23 2cx6 s LEU 84 Cb 0.12 -1.48 -0.03 0.00 -0.43 0.00 0.00 46.19 44.36 2cx6 s LEU 84 CO 0.51 0.08 -0.04 -0.13 -0.29 0.00 0.00 176.35 176.47 2cx6 s ARG 85 N 0.84 2.89 -0.09 1.98 0.52 0.19 -4.51 118.95 120.75 2cx6 s ARG 85 Ca -0.06 -0.50 0.02 0.00 -0.52 0.00 0.00 55.73 54.67 2cx6 s ARG 85 Cb -0.15 -2.68 0.01 0.00 0.52 0.00 0.00 34.95 32.65 2cx6 s ARG 85 CO -0.02 0.65 -0.14 0.12 0.02 0.00 0.00 175.30 175.94 2cx6 s PHE 86 N -0.76 1.73 -0.01 -0.53 5.36 -1.26 0.44 117.98 122.94 2cx6 s PHE 86 Ca 0.12 -0.75 0.01 0.00 -0.96 0.00 0.00 56.93 55.35 2cx6 s PHE 86 Cb -0.11 -1.27 0.01 0.00 -0.34 0.00 0.00 43.02 41.31 2cx6 s PHE 86 CO 0.02 -0.40 -0.03 -0.80 -1.46 0.00 0.00 175.22 172.56 2cx6 s ASN 87 N 0.90 0.46 -0.22 6.13 0.01 -0.31 -4.97 114.94 116.94 2cx6 s ASN 87 Ca -0.09 -0.06 -0.09 0.00 -0.71 0.00 0.00 52.86 51.91 2cx6 s ASN 87 Cb -0.15 -0.13 -0.04 0.00 0.41 0.00 0.00 41.25 41.33 2cx6 s ASN 87 CO 0.00 -0.01 0.11 -0.69 -1.51 0.00 0.00 177.10 175.01 2cx6 s VAL 88 N 0.33 4.96 0.00 1.60 1.01 -1.26 -0.01 120.40 127.03 2cx6 s VAL 88 Ca -0.03 0.04 0.00 0.00 0.00 0.00 0.00 61.98 61.99 2cx6 s VAL 88 Cb -0.06 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 33.03 2cx6 s VAL 88 CO -0.01 0.38 0.00 -1.14 0.00 0.00 0.00 175.10 174.33 2cx6 n ARG 89 N 4.21 0.00 0.00 2.72 0.63 0.22 -4.94 116.66 119.50 2cx6 n ARG 89 Ca -0.16 0.00 0.02 0.00 -0.92 0.00 0.00 57.85 56.79 2cx6 n ARG 89 Cb 0.52 0.00 0.02 0.00 0.45 0.00 0.00 32.46 33.45 2cx6 n ARG 89 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84