#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 3.44 -0.07 2.41 -1.09 -1.26 0.19 121.20 124.82 2cx6 s ILE 3 Ca 0.00 -0.49 0.04 0.00 -2.23 0.00 0.00 60.65 57.97 2cx6 s ILE 3 Cb 0.00 -2.52 -0.02 0.00 -1.58 0.00 0.00 42.46 38.34 2cx6 s ILE 3 CO 0.00 0.46 -0.19 -0.31 -1.23 0.00 0.00 174.94 173.67 2cx6 s TYR 4 N 0.92 2.59 -0.13 3.97 1.51 0.16 -4.94 117.35 121.42 2cx6 s TYR 4 Ca -0.01 -0.50 0.02 0.00 -1.01 0.00 0.00 57.07 55.56 2cx6 s TYR 4 Cb -0.15 -1.65 -0.00 0.00 -0.11 0.00 0.00 41.96 40.05 2cx6 s TYR 4 CO 0.01 -0.07 -0.19 0.99 -1.11 0.00 0.00 175.55 175.18 2cx6 s THR 5 N -0.28 2.47 -0.32 -0.71 2.01 -1.26 0.39 115.64 117.94 2cx6 s THR 5 Ca 0.01 -0.86 -0.03 0.00 0.31 0.00 0.00 61.69 61.12 2cx6 s THR 5 Cb -0.13 -2.00 0.05 0.00 0.01 0.00 0.00 72.50 70.43 2cx6 s THR 5 CO 0.03 0.54 0.04 -0.36 -0.69 0.00 0.00 174.62 174.18 2cx6 s PHE 6 N 0.53 3.28 -0.36 4.92 0.40 0.50 -4.97 117.98 122.28 2cx6 s PHE 6 Ca -0.12 -1.77 -0.24 0.00 -0.60 0.00 0.00 56.93 54.19 2cx6 s PHE 6 Cb -0.16 -2.22 0.01 0.00 0.51 0.00 0.00 43.02 41.16 2cx6 s PHE 6 CO 0.04 -0.79 0.85 0.34 0.70 0.00 0.00 175.22 176.36 2cx6 s ASP 7 N 1.33 6.63 0.00 1.36 -1.08 -1.26 -1.09 116.67 122.56 2cx6 s ASP 7 Ca -0.03 0.52 0.03 0.00 -0.52 0.00 0.00 52.55 52.54 2cx6 s ASP 7 Cb -0.20 -2.43 0.19 0.00 -1.46 0.00 0.00 42.92 39.02 2cx6 s ASP 7 CO -0.00 -0.77 1.09 0.49 0.52 0.00 0.00 175.17 176.50 2cx6 n PHE 8 N 6.55 0.00 0.16 -5.34 3.01 0.62 -2.51 117.46 119.94 2cx6 n PHE 8 Ca 0.05 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.58 2cx6 n PHE 8 Cb 0.48 0.00 0.08 0.00 -0.01 0.00 0.00 39.48 40.03 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 -0.01 4.37 3.32 -1.78 -3.28 116.42 119.04 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 0.26 -0.38 -0.62 -1.72 0.00 0.00 179.24 176.78 2cx6 n GLU 10 N -3.11 2.22 -3.79 3.56 1.02 -1.05 -4.93 120.64 114.56 2cx6 n GLU 10 Ca 0.02 -0.46 -0.36 0.00 -0.02 0.00 0.00 57.16 56.34 2cx6 n GLU 10 Cb 0.64 -1.15 -0.13 0.00 -0.02 0.00 0.00 31.44 30.78 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 -1.83 4.10 -0.12 -3.67 1.01 -1.20 -4.95 121.20 114.53 2cx6 s ILE 11 Ca 0.09 -0.25 -0.03 0.00 0.00 0.00 0.00 60.65 60.46 2cx6 s ILE 11 Cb 0.10 -2.90 -0.06 0.00 0.01 0.00 0.00 42.46 39.60 2cx6 s ILE 11 CO 0.39 0.36 -0.14 -0.62 0.00 0.00 0.00 174.94 174.94 2cx6 n GLU 12 N 4.88 0.28 -3.82 2.79 -0.58 -1.26 -4.84 120.64 118.09 2cx6 n GLU 12 Ca -0.17 0.10 -0.22 0.00 -0.42 0.00 0.00 57.16 56.45 2cx6 n GLU 12 Cb 0.51 -1.08 -0.05 0.00 -0.57 0.00 0.00 31.44 30.26 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 -5.69 4.92 0.34 1.62 1.04 -1.26 -4.98 113.70 109.69 2cx6 s SER 13 Ca -0.17 -0.75 0.11 0.00 0.48 0.00 0.00 55.95 55.62 2cx6 s SER 13 Cb 0.06 -0.68 0.62 0.00 0.10 0.00 0.00 66.02 66.12 2cx6 s SER 13 CO 0.25 -0.50 1.78 1.56 0.98 0.00 0.00 173.24 177.31 2cx6 h GLN 14 N 1.25 0.06 -0.09 4.02 4.20 -1.98 -2.00 115.11 120.57 2cx6 h GLN 14 Ca -0.43 -0.03 -0.17 0.00 0.06 0.00 0.00 58.65 58.09 2cx6 h GLN 14 Cb 1.26 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.03 2cx6 h GLN 14 CO 0.61 0.45 -0.66 1.05 -0.67 0.00 0.00 178.83 179.61 2cx6 h GLU 15 N 0.05 0.36 -0.66 1.46 9.09 -1.94 -0.73 114.58 122.22 2cx6 h GLU 15 Ca 0.00 -0.27 0.04 0.00 0.05 0.00 0.00 59.36 59.18 2cx6 h GLU 15 Cb 0.74 0.05 -0.05 0.00 -1.65 0.00 0.00 28.75 27.84 2cx6 h GLU 15 CO 0.05 0.90 0.39 -0.44 0.05 0.00 0.00 179.01 179.96 2cx6 h ASP 16 N 0.26 0.61 -0.40 3.06 3.32 -1.77 -1.89 116.42 119.62 2cx6 h ASP 16 Ca -0.02 0.01 -0.11 0.00 0.02 0.00 0.00 57.03 56.94 2cx6 h ASP 16 Cb 1.21 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.63 2cx6 h ASP 16 CO 0.11 0.41 -0.18 0.15 -1.72 0.00 0.00 179.24 178.02 2cx6 h PHE 17 N 0.75 0.94 -0.82 4.55 3.57 -1.00 -2.09 116.94 122.84 2cx6 h PHE 17 Ca 0.28 -0.23 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 2cx6 h PHE 17 Cb 0.09 -0.22 -0.04 0.00 2.79 0.00 0.00 35.95 38.57 2cx6 h PHE 17 CO -0.06 0.98 0.49 1.88 -2.23 0.00 0.00 178.31 179.37 2cx6 h TYR 18 N 0.63 1.08 -0.18 0.41 0.99 -0.82 0.22 116.97 119.29 2cx6 h TYR 18 Ca 0.09 -0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.76 2cx6 h TYR 18 Cb 0.73 -0.36 -0.00 0.00 1.00 0.00 0.00 36.73 38.10 2cx6 h TYR 18 CO 0.06 0.72 -0.12 0.00 -0.00 0.00 0.00 178.16 178.82 2cx6 h ARG 19 N 1.13 0.41 -0.45 4.88 3.08 -1.29 -0.76 114.38 121.38 2cx6 h ARG 19 Ca 0.29 -0.19 0.01 0.00 0.07 0.00 0.00 59.98 60.16 2cx6 h ARG 19 Cb -0.04 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 29.98 2cx6 h ARG 19 CO -0.05 0.73 0.28 0.22 -1.07 0.00 0.00 179.97 180.08 2cx6 h ASP 20 N 0.08 0.46 -0.33 7.04 1.82 -1.08 0.47 116.42 124.89 2cx6 h ASP 20 Ca 0.04 -0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.67 2cx6 h ASP 20 Cb 0.63 -0.10 -0.02 0.00 0.68 0.00 0.00 39.33 40.52 2cx6 h ASP 20 CO 0.03 0.33 0.20 0.15 -1.61 0.00 0.00 179.24 178.35 2cx6 h PHE 21 N 0.56 0.43 -0.67 0.28 3.57 -0.48 0.30 116.94 120.93 2cx6 h PHE 21 Ca 0.17 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.63 2cx6 h PHE 21 Cb -0.02 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 38.55 2cx6 h PHE 21 CO -0.06 0.31 0.26 0.77 -2.23 0.00 0.00 178.31 177.36 2cx6 h SER 22 N 0.43 0.94 -0.30 0.41 0.02 -0.74 -2.02 113.55 112.28 2cx6 h SER 22 Ca 0.12 -0.18 -0.04 0.00 -0.84 0.00 0.00 61.79 60.85 2cx6 h SER 22 Cb -0.00 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.28 2cx6 h SER 22 CO -0.02 0.86 0.03 1.56 -1.14 0.00 0.00 176.83 178.12 2cx6 h GLN 23 N 0.96 0.52 -0.10 3.45 4.20 -0.61 0.29 115.11 123.81 2cx6 h GLN 23 Ca 0.22 -0.15 0.04 0.00 0.06 0.00 0.00 58.65 58.82 2cx6 h GLN 23 Cb 0.23 -0.05 -0.05 0.00 0.30 0.00 0.00 27.48 27.90 2cx6 h GLN 23 CO -0.02 0.64 -0.23 1.15 -0.67 0.00 0.00 178.83 179.70 2cx6 h THR 24 N 0.33 0.44 -0.26 -0.54 2.02 -0.73 -1.56 112.91 112.59 2cx6 h THR 24 Ca 0.09 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.27 2cx6 h THR 24 Cb 0.39 0.44 0.00 0.00 -1.74 0.00 0.00 68.15 67.24 2cx6 h THR 24 CO 0.01 0.00 0.00 0.49 0.37 0.00 0.00 175.52 176.39 2cx6 n PHE 25 N -5.36 0.35 -3.81 3.16 3.01 -0.78 -4.94 117.46 109.08 2cx6 n PHE 25 Ca -0.03 -0.17 -0.27 0.00 1.01 0.00 0.00 57.45 57.99 2cx6 n PHE 25 Cb 0.28 0.00 0.04 0.00 -0.01 0.00 0.00 39.48 39.78 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 1.11 -0.45 3.83 1.37 0.00 0.80 -4.98 105.19 106.87 2cx6 n GLY 26 Ca 0.14 0.18 -0.32 0.00 0.00 0.00 0.00 46.02 46.03 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 -7.12 3.52 0.90 0.99 1.43 0.07 -5.01 118.68 113.47 2cx6 s LEU 27 Ca 0.48 1.64 -0.11 0.00 -1.03 0.00 0.00 54.13 55.11 2cx6 s LEU 27 Cb -0.24 -4.51 0.13 0.00 0.03 0.00 0.00 46.19 41.61 2cx6 s LEU 27 CO 0.81 -0.84 1.10 0.00 0.23 0.00 0.00 176.35 177.65 2cx6 s ALA 28 N -2.65 1.45 0.30 4.21 0.00 -1.26 -4.85 121.76 118.96 2cx6 s ALA 28 Ca 0.60 0.20 -0.30 0.00 0.00 0.00 0.00 51.96 52.47 2cx6 s ALA 28 Cb -0.12 -3.29 -0.12 0.00 0.00 0.00 0.00 23.12 19.58 2cx6 s ALA 28 CO 0.36 -2.51 1.44 1.17 0.00 0.00 0.00 175.76 176.22 2cx6 n LYS 29 N -4.02 2.33 -0.56 0.00 4.81 -1.26 -2.15 118.16 117.31 2cx6 n LYS 29 Ca 0.08 0.82 0.00 0.00 -0.87 0.00 0.00 58.31 58.35 2cx6 n LYS 29 Cb 0.54 -2.51 0.00 0.00 0.02 0.00 0.00 35.03 33.08 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 1.59 0.00 0.04 3.14 8.00 -1.26 -4.85 116.55 123.21 2cx6 n ASP 30 Ca 0.08 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.65 2cx6 n ASP 30 Cb 0.35 -1.39 0.50 0.00 -0.02 0.00 0.00 41.12 40.56 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 1.10 0.36 -3.31 -1.24 1.63 -1.79 -3.37 116.57 109.96 2cx6 h LYS 31 Ca 0.00 -0.02 -0.48 0.00 -0.85 0.00 0.00 60.65 59.30 2cx6 h LYS 31 Cb 0.00 -0.08 -0.40 0.00 -0.60 0.00 0.00 32.23 31.14 2cx6 h LYS 31 CO 0.00 0.24 -0.76 0.08 -3.45 0.00 0.00 179.45 175.56 2cx6 s VAL 32 N -5.36 0.20 0.00 2.00 1.01 -1.26 -4.60 120.40 112.39 2cx6 s VAL 32 Ca -0.07 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 61.61 2cx6 s VAL 32 Cb 0.18 -0.76 0.00 0.00 0.00 0.00 0.00 36.38 35.80 2cx6 s VAL 32 CO 0.72 -0.21 0.00 -2.11 0.00 0.00 0.00 175.10 173.50 2cx6 n ARG 33 N 5.17 0.00 -3.57 2.72 1.85 -1.26 -4.74 116.66 116.83 2cx6 n ARG 33 Ca -0.08 0.00 -0.08 0.00 -1.00 0.00 0.00 57.85 56.69 2cx6 n ARG 33 Cb 0.48 -0.25 0.03 0.00 -1.05 0.00 0.00 32.46 31.67 2cx6 n ARG 33 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 2cx6 n ASP 34 N 0.00 -2.12 -0.16 2.89 5.68 -1.26 -4.98 116.55 116.60 2cx6 n ASP 34 Ca 0.00 -2.46 -0.09 0.00 -0.50 0.00 0.00 54.79 51.75 2cx6 n ASP 34 Cb 0.13 3.53 0.00 0.00 -1.14 0.00 0.00 41.12 43.64 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 0.64 -0.27 -2.12 3.38 -1.99 -0.50 115.31 114.44 2cx6 h LEU 35 Ca -0.31 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.49 2cx6 h LEU 35 Cb 1.14 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 2cx6 h LEU 35 CO 0.39 0.63 0.16 0.44 0.09 0.00 0.00 178.44 180.16 2cx6 h ASP 36 N 0.60 0.33 -0.15 -0.43 3.32 -1.98 0.17 116.42 118.28 2cx6 h ASP 36 Ca 0.15 -0.06 -0.12 0.00 0.02 0.00 0.00 57.03 57.03 2cx6 h ASP 36 Cb 0.20 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 2cx6 h ASP 36 CO -0.01 0.29 -0.31 0.77 -1.72 0.00 0.00 179.24 178.26 2cx6 h SER 37 N 0.34 0.66 -0.12 6.45 4.64 -1.86 -1.16 113.55 122.50 2cx6 h SER 37 Ca 0.10 -0.26 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 2cx6 h SER 37 Cb 0.03 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 61.93 2cx6 h SER 37 CO -0.02 0.93 0.07 0.25 -0.87 0.00 0.00 176.83 177.19 2cx6 h LEU 38 N 0.54 0.12 -0.85 5.97 6.46 -0.78 -2.02 115.31 124.76 2cx6 h LEU 38 Ca 0.06 -0.00 0.04 0.00 -0.12 0.00 0.00 57.88 57.87 2cx6 h LEU 38 Cb 0.80 -0.03 -0.05 0.00 -0.73 0.00 0.00 40.66 40.65 2cx6 h LEU 38 CO 0.07 0.09 0.54 -0.25 -0.62 0.00 0.00 178.44 178.26 2cx6 h TRP 39 N 0.15 1.00 -0.19 1.25 2.91 -0.13 -2.00 115.95 118.95 2cx6 h TRP 39 Ca 0.04 0.03 -0.09 0.00 1.13 0.00 0.00 58.89 60.00 2cx6 h TRP 39 Cb -0.01 -0.33 -0.01 0.00 -0.51 0.00 0.00 29.16 28.30 2cx6 h TRP 39 CO -0.08 0.56 -0.27 -0.44 -1.03 0.00 0.00 178.44 177.18 2cx6 h ASP 40 N 1.03 0.36 -0.15 2.65 3.32 -0.95 -2.94 116.42 119.73 2cx6 h ASP 40 Ca 0.35 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.27 2cx6 h ASP 40 Cb 0.06 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 2cx6 h ASP 40 CO -0.13 0.63 0.04 0.58 -1.72 0.00 0.00 179.24 178.64 2cx6 h VAL 41 N 0.32 1.19 0.00 -1.35 2.07 -0.68 -1.83 116.25 115.97 2cx6 h VAL 41 Ca 0.05 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 66.97 2cx6 h VAL 41 Cb 0.65 1.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 2cx6 h VAL 41 CO 0.05 0.18 0.00 0.18 0.02 0.00 0.00 177.57 178.00 2cx6 n LEU 42 N -4.84 0.62 0.00 2.57 4.77 -0.82 -4.12 117.00 115.18 2cx6 n LEU 42 Ca -0.05 -0.30 0.00 0.00 -0.03 0.00 0.00 56.01 55.63 2cx6 n LEU 42 Cb 0.15 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 2cx6 n LEU 42 CO 0.35 0.11 0.00 0.59 -1.33 0.00 0.00 177.39 177.11 2cx6 n ASN 44 N 1.15 0.00 -4.20 -1.43 3.02 -0.69 -4.96 115.26 108.15 2cx6 n ASN 44 Ca 0.00 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.21 2cx6 n ASN 44 Cb 0.09 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.22 2cx6 n ASN 44 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2cx6 n ASP 45 N 0.00 -2.02 -0.01 6.41 8.00 -1.26 -4.80 116.55 122.88 2cx6 n ASP 45 Ca 0.00 -1.06 0.10 0.00 0.71 0.00 0.00 54.79 54.54 2cx6 n ASP 45 Cb 0.00 -2.60 -0.15 0.00 -0.02 0.00 0.00 41.12 38.36 2cx6 n ASP 45 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2cx6 n VAL 46 N -4.38 0.00 -3.45 2.53 0.31 -1.26 -4.91 118.33 107.18 2cx6 n VAL 46 Ca -0.05 -0.32 -0.35 0.00 -0.01 0.00 0.00 64.34 63.61 2cx6 n VAL 46 Cb 0.55 0.37 -0.06 0.00 -0.91 0.00 0.00 33.84 33.80 2cx6 n VAL 46 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2cx6 s LEU 47 N -3.94 4.33 -0.09 7.52 1.43 -1.26 -4.95 118.68 121.72 2cx6 s LEU 47 Ca -0.02 0.95 -0.01 0.00 -1.03 0.00 0.00 54.13 54.02 2cx6 s LEU 47 Cb 0.14 -3.18 -0.03 0.00 0.03 0.00 0.00 46.19 43.15 2cx6 s LEU 47 CO 0.87 0.12 1.09 -2.65 0.23 0.00 0.00 176.35 176.01 2cx6 n PRO 48 N 0.79 0.39 -1.89 1.29 -0.02 -1.26 -4.90 135.00 129.41 2cx6 n PRO 48 Ca -0.06 -0.38 -0.37 0.00 -2.02 0.00 0.00 63.50 60.67 2cx6 n PRO 48 Cb 0.52 -1.78 0.04 0.00 -0.02 0.00 0.00 33.50 32.26 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 0.01 3.76 0.23 2.45 1.43 -1.26 -4.29 118.68 121.01 2cx6 s LEU 49 Ca 0.10 2.59 -0.30 0.00 -1.03 0.00 0.00 54.13 55.49 2cx6 s LEU 49 Cb 0.04 -4.43 -0.09 0.00 0.03 0.00 0.00 46.19 41.75 2cx6 s LEU 49 CO -0.00 -1.60 1.07 -2.84 0.23 0.00 0.00 176.35 173.21 2cx6 s PRO 50 N -3.09 4.66 0.27 1.29 0.02 -1.26 -5.09 135.00 131.80 2cx6 s PRO 50 Ca 0.75 1.71 -0.09 0.00 0.02 0.00 0.00 61.00 63.39 2cx6 s PRO 50 Cb -0.36 -3.24 -0.00 0.00 0.02 0.00 0.00 34.50 30.91 2cx6 s PRO 50 CO 0.41 0.21 0.45 -0.48 -0.33 0.00 0.00 177.00 177.25 2cx6 s LEU 51 N -0.94 0.58 -0.02 -5.54 -0.00 -0.86 -2.85 118.68 109.04 2cx6 s LEU 51 Ca 0.46 -1.14 0.02 0.00 -0.00 0.00 0.00 54.13 53.47 2cx6 s LEU 51 Cb -0.30 1.56 0.00 0.00 -0.00 0.00 0.00 46.19 47.46 2cx6 s LEU 51 CO 0.37 -1.16 -0.07 -0.70 -0.00 0.00 0.00 176.35 174.78 2cx6 s GLU 52 N -3.73 0.81 -0.23 1.48 2.12 0.50 -1.52 118.70 118.13 2cx6 s GLU 52 Ca 0.26 -0.24 -0.07 0.00 0.36 0.00 0.00 54.97 55.28 2cx6 s GLU 52 Cb 0.00 -0.78 -0.03 0.00 0.26 0.00 0.00 34.13 33.58 2cx6 s GLU 52 CO 0.12 0.08 0.07 0.42 -0.54 0.00 0.00 175.26 175.41 2cx6 s ILE 53 N 0.24 4.42 -0.14 -3.70 -1.09 0.58 0.35 121.20 121.86 2cx6 s ILE 53 Ca -0.03 -0.14 -0.01 0.00 -2.23 0.00 0.00 60.65 58.23 2cx6 s ILE 53 Cb -0.08 -3.05 -0.02 0.00 -1.58 0.00 0.00 42.46 37.74 2cx6 s ILE 53 CO 0.00 0.37 -0.11 -1.61 -1.23 0.00 0.00 174.94 172.36 2cx6 s GLU 54 N 1.32 3.44 -0.19 2.79 2.02 0.16 -1.61 118.70 126.63 2cx6 s GLU 54 Ca 0.05 -0.65 -0.05 0.00 0.02 0.00 0.00 54.97 54.34 2cx6 s GLU 54 Cb -0.15 -2.70 -0.03 0.00 0.10 0.00 0.00 34.13 31.35 2cx6 s GLU 54 CO 0.04 0.20 0.01 -0.06 0.02 0.00 0.00 175.26 175.46 2cx6 s PHE 55 N 0.40 3.07 0.18 1.61 2.99 -0.31 -0.37 117.98 125.55 2cx6 s PHE 55 Ca -0.09 -0.34 0.08 0.00 0.00 0.00 0.00 56.93 56.58 2cx6 s PHE 55 Cb -0.15 -2.07 -0.04 0.00 0.00 0.00 0.00 43.02 40.75 2cx6 s PHE 55 CO 0.05 -0.15 -0.17 0.14 -0.00 0.00 0.00 175.22 175.08 2cx6 s VAL 56 N 0.84 1.80 -1.26 -0.44 -7.23 -0.25 -1.97 120.40 111.89 2cx6 s VAL 56 Ca 0.01 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.18 2cx6 s VAL 56 Cb -0.14 -1.89 0.00 0.00 0.56 0.00 0.00 36.38 34.90 2cx6 s VAL 56 CO 0.02 -0.40 0.85 1.41 -0.31 0.00 0.00 175.10 176.68 2cx6 n HIS 57 N 0.10 -2.06 -3.87 2.82 8.25 -1.26 -0.28 115.22 118.92 2cx6 n HIS 57 Ca -0.12 0.89 -0.36 0.00 -0.26 0.00 0.00 57.72 57.88 2cx6 n HIS 57 Cb 0.58 -4.74 -0.13 0.00 1.12 0.00 0.00 29.99 26.82 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 -6.53 3.62 0.47 2.41 2.96 -1.26 -4.28 118.68 116.06 2cx6 s LEU 58 Ca 0.01 -0.90 0.06 0.00 -0.22 0.00 0.00 54.13 53.08 2cx6 s LEU 58 Cb -0.01 -1.76 0.02 0.00 0.50 0.00 0.00 46.19 44.94 2cx6 s LEU 58 CO 0.77 -0.19 0.65 -0.83 -1.32 0.00 0.00 176.35 175.43 2cx6 s GLY 59 N 1.38 1.90 0.20 7.98 0.00 -1.26 -4.79 107.32 112.73 2cx6 s GLY 59 Ca -0.00 -1.55 -0.23 0.00 0.00 0.00 0.00 44.72 42.94 2cx6 s GLY 59 CO -0.01 -1.33 1.55 -2.09 0.00 0.00 0.00 173.10 171.22 2cx6 h GLU 60 N 0.43 -0.01 0.05 2.90 4.81 -1.99 0.65 114.58 121.42 2cx6 h GLU 60 Ca -0.41 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.82 2cx6 h GLU 60 Cb 1.29 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.67 2cx6 h GLU 60 CO 0.47 -0.00 -0.02 0.87 -0.73 0.00 0.00 179.01 179.60 2cx6 h LYS 61 N -0.01 -0.06 -0.49 1.92 1.79 -1.99 -1.60 116.57 116.13 2cx6 h LYS 61 Ca 0.27 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.62 2cx6 h LYS 61 Cb 0.53 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.18 2cx6 h LYS 61 CO -0.96 -0.02 -0.21 1.79 -1.08 0.00 0.00 179.45 178.97 2cx6 h THR 62 N -0.08 1.27 -0.80 -0.16 1.35 -1.76 -0.15 112.91 112.58 2cx6 h THR 62 Ca -0.01 -1.37 0.11 0.00 -0.55 0.00 0.00 66.41 64.59 2cx6 h THR 62 Cb 0.07 1.10 -0.08 0.00 -1.73 0.00 0.00 68.15 67.51 2cx6 h THR 62 CO 0.01 0.48 0.43 -0.09 -0.25 0.00 0.00 175.52 176.09 2cx6 h ARG 63 N 0.87 0.67 -0.44 4.72 1.12 0.34 0.15 114.38 121.80 2cx6 h ARG 63 Ca 0.11 -0.04 -0.10 0.00 -1.11 0.00 0.00 59.98 58.84 2cx6 h ARG 63 Cb 0.79 -0.15 -0.01 0.00 -0.01 0.00 0.00 29.97 30.58 2cx6 h ARG 63 CO 0.07 0.44 -0.13 -0.09 -3.11 0.00 0.00 179.97 177.15 2cx6 h ARG 64 N 0.69 0.86 -0.08 0.20 2.43 -0.75 -2.78 114.38 114.94 2cx6 h ARG 64 Ca 0.40 -0.34 -0.07 0.00 -0.81 0.00 0.00 59.98 59.16 2cx6 h ARG 64 Cb 0.45 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.95 2cx6 h ARG 64 CO -0.29 0.98 -0.29 -0.09 -1.51 0.00 0.00 179.97 178.77 2cx6 h ARG 65 N 0.69 0.15 -0.83 0.20 2.43 0.74 -2.52 114.38 115.24 2cx6 h ARG 65 Ca 0.11 -0.05 -0.25 0.00 -0.81 0.00 0.00 59.98 58.97 2cx6 h ARG 65 Cb 0.67 -0.01 -0.15 0.00 -0.42 0.00 0.00 29.97 30.06 2cx6 h ARG 65 CO 0.05 0.43 0.32 1.19 -1.51 0.00 0.00 179.97 180.45 2cx6 n PHE 66 N -4.15 2.34 -0.02 2.20 3.01 0.33 -4.57 117.46 116.60 2cx6 n PHE 66 Ca -0.01 -1.23 0.07 0.00 1.01 0.00 0.00 57.45 57.29 2cx6 n PHE 66 Cb 0.37 -0.69 0.46 0.00 -0.01 0.00 0.00 39.48 39.61 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 2.59 0.56 0.92 1.37 0.00 -1.17 -0.59 103.07 106.75 2cx6 h GLY 67 Ca 0.31 -0.19 -0.02 0.00 0.00 0.00 0.00 47.33 47.43 2cx6 h GLY 67 CO 0.74 0.17 0.12 0.00 0.00 0.00 0.00 176.54 177.57 2cx6 h ALA 68 N 1.74 0.41 -0.60 3.60 0.00 -1.85 -0.88 119.26 121.67 2cx6 h ALA 68 Ca 0.19 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 2cx6 h ALA 68 Cb 0.15 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2cx6 h ALA 68 CO -0.05 0.01 0.01 -0.07 0.00 0.00 0.00 179.25 179.16 2cx6 h LEU 69 N 0.36 1.01 -0.34 0.00 3.38 -1.71 -1.36 115.31 116.64 2cx6 h LEU 69 Ca 0.10 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 2cx6 h LEU 69 Cb 0.19 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 2cx6 h LEU 69 CO -0.01 1.05 0.17 0.40 0.09 0.00 0.00 178.44 180.15 2cx6 h ILE 70 N 0.95 1.15 -0.63 1.22 2.04 -0.93 -1.87 117.51 119.45 2cx6 h ILE 70 Ca 0.17 -0.42 -0.02 0.00 1.00 0.00 0.00 64.86 65.59 2cx6 h ILE 70 Cb 0.53 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 37.38 2cx6 h ILE 70 CO 0.03 0.16 0.33 0.25 0.00 0.00 0.00 178.15 178.91 2cx6 h LEU 71 N 0.42 0.80 -0.64 1.44 5.85 -1.00 -1.75 115.31 120.43 2cx6 h LEU 71 Ca 0.12 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 2cx6 h LEU 71 Cb 0.10 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 2cx6 h LEU 71 CO -0.02 0.68 0.33 0.25 -0.34 0.00 0.00 178.44 179.34 2cx6 h LEU 72 N 0.85 0.82 -0.55 2.25 6.46 -1.01 -1.15 115.31 122.99 2cx6 h LEU 72 Ca 0.22 -0.11 -0.16 0.00 -0.12 0.00 0.00 57.88 57.70 2cx6 h LEU 72 Cb 0.07 -0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 39.78 2cx6 h LEU 72 CO -0.03 0.70 -0.67 -0.26 -0.62 0.00 0.00 178.44 177.56 2cx6 h PHE 73 N 0.88 0.34 -0.61 1.25 -1.00 -1.26 -1.54 116.94 115.01 2cx6 h PHE 73 Ca 0.22 -0.14 -0.04 0.00 2.81 0.00 0.00 57.97 60.82 2cx6 h PHE 73 Cb 0.08 -0.06 -0.03 0.00 3.61 0.00 0.00 35.95 39.56 2cx6 h PHE 73 CO -0.00 0.85 0.24 -0.44 -1.61 0.00 0.00 178.31 177.34 2cx6 h ASP 74 N 0.18 0.84 0.11 2.17 3.32 -0.97 -1.08 116.42 120.99 2cx6 h ASP 74 Ca -0.02 -0.17 -0.09 0.00 0.02 0.00 0.00 57.03 56.77 2cx6 h ASP 74 Cb 1.20 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.52 2cx6 h ASP 74 CO 0.10 0.79 -0.29 -0.33 -1.72 0.00 0.00 179.24 177.79 2cx6 h GLU 75 N 0.85 0.30 -0.02 3.56 5.08 -1.12 -2.47 114.58 120.75 2cx6 h GLU 75 Ca 0.20 -0.11 -0.14 0.00 -1.00 0.00 0.00 59.36 58.31 2cx6 h GLU 75 Cb 0.21 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 2cx6 h GLU 75 CO -0.02 0.57 -0.64 0.00 -1.00 0.00 0.00 179.01 177.92 2cx6 h ALA 76 N 1.43 0.90 -0.19 3.43 0.00 -0.85 -1.23 119.26 122.75 2cx6 h ALA 76 Ca 0.04 -0.58 -0.11 0.00 0.00 0.00 0.00 54.91 54.27 2cx6 h ALA 76 Cb 0.66 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2cx6 h ALA 76 CO 0.05 0.78 -0.34 1.49 0.00 0.00 0.00 179.25 181.23 2cx6 h GLU 77 N 0.06 0.39 -0.14 0.00 4.81 -0.84 0.92 114.58 119.78 2cx6 h GLU 77 Ca -0.01 -0.17 -0.16 0.00 -0.13 0.00 0.00 59.36 58.89 2cx6 h GLU 77 Cb 1.14 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.50 2cx6 h GLU 77 CO 0.09 0.69 -0.61 1.49 -0.73 0.00 0.00 179.01 179.94 2cx6 h GLU 78 N 0.34 0.46 0.06 1.92 4.57 -1.05 -2.78 114.58 118.10 2cx6 h GLU 78 Ca 0.04 -0.32 -0.26 0.00 -1.18 0.00 0.00 59.36 57.65 2cx6 h GLU 78 Cb 0.76 0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.38 2cx6 h GLU 78 CO 0.06 0.93 -1.24 0.93 -1.18 0.00 0.00 179.01 178.51 2cx6 h GLU 79 N 0.35 0.14 -0.89 1.92 4.39 -1.07 -3.29 114.58 116.12 2cx6 h GLU 79 Ca -0.01 -0.23 -0.10 0.00 0.34 0.00 0.00 59.36 59.36 2cx6 h GLU 79 Cb 1.15 0.09 -0.06 0.00 -0.10 0.00 0.00 28.75 29.82 2cx6 h GLU 79 CO 0.11 1.05 0.13 1.28 -1.16 0.00 0.00 179.01 180.42 2cx6 n LEU 80 N -3.40 3.87 -3.59 1.33 4.77 0.30 -4.92 117.00 115.36 2cx6 n LEU 80 Ca -0.07 -1.99 -0.20 0.00 -0.03 0.00 0.00 56.01 53.71 2cx6 n LEU 80 Cb 1.00 -0.62 0.01 0.00 -2.33 0.00 0.00 43.42 41.48 2cx6 n LEU 80 CO 0.50 0.57 -0.12 -1.84 -1.33 0.00 0.00 177.39 175.17 2cx6 n GLU 81 N 0.05 -0.71 0.00 3.23 0.28 -1.18 0.15 120.64 122.45 2cx6 n GLU 81 Ca 0.19 0.09 0.00 0.00 -0.16 0.00 0.00 57.16 57.28 2cx6 n GLU 81 Cb 0.84 -1.06 0.00 0.00 1.43 0.00 0.00 31.44 32.65 2cx6 n GLU 81 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2cx6 n GLY 82 N -1.37 0.14 0.28 -1.84 0.00 -1.06 -4.70 105.19 96.65 2cx6 n GLY 82 Ca -0.12 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.07 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 -3.59 1.61 3.86 0.10 -3.36 115.15 113.77 2cx6 h HIS 83 Ca 0.00 0.00 -0.52 0.00 -1.16 0.00 0.00 60.37 58.69 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 0.00 -0.82 -1.17 0.86 0.00 0.00 177.93 176.80 2cx6 s LEU 84 N -5.48 1.76 0.03 2.43 0.20 -1.25 -2.04 118.68 114.32 2cx6 s LEU 84 Ca -0.04 -0.31 0.08 0.00 0.69 0.00 0.00 54.13 54.55 2cx6 s LEU 84 Cb 0.10 -0.86 -0.03 0.00 -0.43 0.00 0.00 46.19 44.97 2cx6 s LEU 84 CO 0.30 0.08 -0.23 -0.13 -0.29 0.00 0.00 176.35 176.08 2cx6 s ARG 85 N 0.42 1.98 -0.07 1.98 0.52 -0.57 -4.50 118.95 118.71 2cx6 s ARG 85 Ca -0.11 -1.02 -0.01 0.00 -0.52 0.00 0.00 55.73 54.08 2cx6 s ARG 85 Cb -0.14 -2.09 0.03 0.00 0.52 0.00 0.00 34.95 33.27 2cx6 s ARG 85 CO 0.03 0.54 -0.01 0.12 0.02 0.00 0.00 175.30 175.99 2cx6 s PHE 86 N -0.82 0.74 -0.03 -0.53 5.36 -1.26 -0.31 117.98 121.14 2cx6 s PHE 86 Ca 0.13 -0.22 0.02 0.00 -0.96 0.00 0.00 56.93 55.90 2cx6 s PHE 86 Cb -0.10 -0.80 0.01 0.00 -0.34 0.00 0.00 43.02 41.79 2cx6 s PHE 86 CO 0.03 -0.31 -0.08 -0.80 -1.46 0.00 0.00 175.22 172.60 2cx6 s ASN 87 N 1.69 1.07 -0.48 6.13 0.01 -0.63 -5.00 114.94 117.72 2cx6 s ASN 87 Ca 0.01 -0.16 -0.15 0.00 -0.71 0.00 0.00 52.86 51.85 2cx6 s ASN 87 Cb -0.13 -0.32 0.09 0.00 0.41 0.00 0.00 41.25 41.31 2cx6 s ASN 87 CO -0.04 0.04 0.41 -0.69 -1.51 0.00 0.00 177.10 175.30 2cx6 s VAL 88 N 0.30 5.06 0.47 1.60 1.01 -1.26 -1.16 120.40 126.41 2cx6 s VAL 88 Ca -0.04 -1.26 -0.23 0.00 0.00 0.00 0.00 61.98 60.44 2cx6 s VAL 88 Cb -0.09 -4.10 -0.08 0.00 0.00 0.00 0.00 36.38 32.10 2cx6 s VAL 88 CO 0.00 -0.66 1.15 0.54 0.00 0.00 0.00 175.10 176.13 2cx6 n ARG 89 N 5.17 1.53 -0.67 2.72 5.12 -0.83 -4.97 116.66 124.73 2cx6 n ARG 89 Ca -0.12 0.55 0.00 0.00 -1.93 0.00 0.00 57.85 56.35 2cx6 n ARG 89 Cb 0.42 -2.27 0.00 0.00 -1.16 0.00 0.00 32.46 29.46 2cx6 n ARG 89 CO 0.00 0.00 0.00 1.58 -1.93 0.00 0.00 177.63 177.28