#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k7j s ALA 2 N 0.00 -1.83 0.28 4.61 0.00 -1.26 -5.19 121.76 118.36 2k7j s ALA 2 Ca 0.00 0.15 -0.20 0.00 0.00 0.00 0.00 51.96 51.91 2k7j s ALA 2 Cb 0.00 0.61 0.06 0.00 0.00 0.00 0.00 23.12 23.79 2k7j s ALA 2 CO 0.00 -1.06 0.87 -1.83 0.00 0.00 0.00 175.76 173.74 2k7j s GLU 3 N -2.72 1.76 0.00 0.00 4.04 -1.26 -4.90 118.70 115.62 2k7j s GLU 3 Ca 0.16 -1.09 0.00 0.00 0.04 0.00 0.00 54.97 54.08 2k7j s GLU 3 Cb -0.00 0.52 0.00 0.00 0.02 0.00 0.00 34.13 34.67 2k7j s GLU 3 CO 0.01 -0.82 0.00 0.41 -1.84 0.00 0.00 175.26 173.02 2k7j n GLY 4 N -0.55 0.85 2.74 -3.83 0.00 -1.26 -4.95 105.19 98.18 2k7j n GLY 4 Ca -0.06 -1.83 -0.31 0.00 0.00 0.00 0.00 46.02 43.83 2k7j n GLY 4 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2k7j n ASN 5 N 0.72 4.86 -4.33 1.61 3.02 -1.26 -4.64 115.26 115.23 2k7j n ASN 5 Ca 0.00 -3.59 -0.47 0.00 -0.03 0.00 0.00 54.58 50.50 2k7j n ASN 5 Cb 0.00 -0.75 -0.02 0.00 -0.61 0.00 0.00 39.78 38.40 2k7j n ASN 5 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2k7j s THR 6 N -3.66 5.67 -0.04 3.41 2.01 -1.26 -5.01 115.64 116.76 2k7j s THR 6 Ca 0.43 -2.61 -0.30 0.00 0.31 0.00 0.00 61.69 59.52 2k7j s THR 6 Cb 0.20 -4.49 -0.03 0.00 0.01 0.00 0.00 72.50 68.19 2k7j s THR 6 CO -0.07 -1.05 1.17 -0.76 -0.69 0.00 0.00 174.62 173.22 2k7j s LEU 7 N -0.03 4.30 0.00 4.42 1.43 -1.26 -0.87 118.68 126.66 2k7j s LEU 7 Ca 0.20 1.82 0.05 0.00 -1.03 0.00 0.00 54.13 55.16 2k7j s LEU 7 Cb -0.10 -3.56 -0.02 0.00 0.03 0.00 0.00 46.19 42.54 2k7j s LEU 7 CO -0.09 -0.54 0.18 2.30 0.23 0.00 0.00 176.35 178.44 2k7j n ILE 8 N 4.45 0.00 -3.27 -0.59 -5.35 0.44 -1.56 119.36 113.48 2k7j n ILE 8 Ca 0.10 -1.84 -0.05 0.00 -0.27 0.00 0.00 62.75 60.70 2k7j n ILE 8 Cb 0.47 0.84 -0.05 0.00 -1.74 0.00 0.00 39.64 39.16 2k7j n ILE 8 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 2k7j s SER 9 N -2.81 -0.26 -0.10 7.28 1.04 -0.34 -1.21 113.70 117.30 2k7j s SER 9 Ca 0.26 0.18 0.04 0.00 0.48 0.00 0.00 55.95 56.91 2k7j s SER 9 Cb 0.01 1.43 0.00 0.00 0.10 0.00 0.00 66.02 67.57 2k7j s SER 9 CO 0.18 -0.31 -0.24 0.54 0.98 0.00 0.00 173.24 174.40 2k7j s VAL 10 N 2.64 2.05 0.03 5.02 0.11 -1.18 -0.46 120.40 128.61 2k7j s VAL 10 Ca 0.13 -1.01 0.06 0.00 -2.93 0.00 0.00 61.98 58.23 2k7j s VAL 10 Cb -0.14 -1.78 -0.03 0.00 -1.53 0.00 0.00 36.38 32.90 2k7j s VAL 10 CO -0.22 0.56 -0.14 1.51 -3.33 0.00 0.00 175.10 173.47 2k7j s ASP 11 N 0.39 4.08 0.27 3.54 1.47 -1.26 -0.20 116.67 124.97 2k7j s ASP 11 Ca -0.18 -0.32 -0.20 0.00 1.18 0.00 0.00 52.55 53.03 2k7j s ASP 11 Cb -0.18 -0.77 0.02 0.00 -0.34 0.00 0.00 42.92 41.65 2k7j s ASP 11 CO 0.08 0.27 0.70 -0.72 0.68 0.00 0.00 175.17 176.17 2k7j s TYR 12 N -0.94 -0.15 -0.57 2.11 -0.85 -0.50 -3.46 117.35 112.99 2k7j s TYR 12 Ca 0.15 -0.30 0.04 0.00 -0.52 0.00 0.00 57.07 56.45 2k7j s TYR 12 Cb -0.11 0.66 0.14 0.00 0.38 0.00 0.00 41.96 43.04 2k7j s TYR 12 CO 0.06 -1.21 0.33 -1.83 -1.52 0.00 0.00 175.55 171.38 2k7j s GLU 13 N -3.92 2.06 0.42 -3.49 -1.05 -1.26 -0.12 118.70 111.33 2k7j s GLU 13 Ca 0.12 -2.79 -0.24 0.00 -0.15 0.00 0.00 54.97 51.91 2k7j s GLU 13 Cb -0.05 -3.25 -0.11 0.00 -0.44 0.00 0.00 34.13 30.28 2k7j s GLU 13 CO 0.07 -1.17 0.96 -0.89 0.95 0.00 0.00 175.26 175.17 2k7j n ILE 14 N 2.79 2.39 -2.61 1.83 2.08 -1.23 -4.63 119.36 119.99 2k7j n ILE 14 Ca 0.10 -0.50 -0.05 0.00 0.56 0.00 0.00 62.75 62.86 2k7j n ILE 14 Cb 0.33 -1.08 0.02 0.00 -0.75 0.00 0.00 39.64 38.17 2k7j n ILE 14 CO 0.00 0.00 0.00 0.49 0.56 0.00 0.00 176.55 177.60 2k7j n PHE 15 N -0.54 -3.10 0.00 1.39 3.72 -1.11 -2.15 117.46 115.66 2k7j n PHE 15 Ca 0.10 -0.40 0.00 0.00 -0.05 0.00 0.00 57.45 57.10 2k7j n PHE 15 Cb 0.39 -0.14 0.00 0.00 -0.94 0.00 0.00 39.48 38.79 2k7j n PHE 15 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2k7j n GLY 16 N 3.44 1.60 2.69 1.37 0.00 -1.26 -4.49 105.19 108.54 2k7j n GLY 16 Ca 0.03 -2.11 -0.39 0.00 0.00 0.00 0.00 46.02 43.55 2k7j n GLY 16 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2k7j n LYS 17 N 0.26 2.68 -1.22 1.61 2.85 -0.50 -4.64 118.16 119.20 2k7j n LYS 17 Ca 0.00 -2.21 -0.29 0.00 -1.05 0.00 0.00 58.31 54.76 2k7j n LYS 17 Cb 0.00 -3.00 0.09 0.00 -0.65 0.00 0.00 35.03 31.48 2k7j n LYS 17 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 177.40 178.68 2k7j n VAL 18 N 4.82 3.36 -3.59 0.58 0.24 -1.26 -4.02 118.33 118.46 2k7j n VAL 18 Ca 0.57 -2.46 -0.37 0.00 -2.04 0.00 0.00 64.34 60.04 2k7j n VAL 18 Cb 0.32 -1.02 -0.09 0.00 -1.47 0.00 0.00 33.84 31.58 2k7j n VAL 18 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 2k7j s GLN 19 N -3.34 4.08 -1.27 7.34 -0.21 -1.26 -4.44 119.66 120.55 2k7j s GLN 19 Ca 0.57 -0.17 -0.00 0.00 0.02 0.00 0.00 55.36 55.78 2k7j s GLN 19 Cb 0.45 -3.56 -0.00 0.00 1.00 0.00 0.00 33.01 30.91 2k7j s GLN 19 CO 0.02 0.00 0.78 0.41 -2.12 0.00 0.00 175.29 174.38 2k7j n GLY 20 N 4.31 -0.33 3.00 3.09 0.00 -1.26 -5.00 105.19 109.00 2k7j n GLY 20 Ca -0.13 0.13 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 2k7j n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k7j s VAL 21 N -3.58 0.10 -1.22 1.61 0.11 -1.26 -5.06 120.40 111.09 2k7j s VAL 21 Ca 0.01 -0.80 -0.15 0.00 -2.93 0.00 0.00 61.98 58.11 2k7j s VAL 21 Cb -0.00 -0.28 -0.04 0.00 -1.53 0.00 0.00 36.38 34.52 2k7j s VAL 21 CO 0.79 -0.44 2.22 0.49 -3.33 0.00 0.00 175.10 174.83 2k7j n PHE 22 N 1.68 2.70 -0.02 1.54 3.72 -1.26 -4.50 117.46 121.33 2k7j n PHE 22 Ca -0.23 -2.55 -0.22 0.00 -0.05 0.00 0.00 57.45 54.41 2k7j n PHE 22 Cb 0.55 -2.21 -0.13 0.00 -0.94 0.00 0.00 39.48 36.75 2k7j n PHE 22 CO 0.00 0.00 0.00 0.35 -0.05 0.00 0.00 176.76 177.06 2k7j h PHE 23 N 6.49 0.36 0.00 1.38 3.04 -1.97 -3.35 116.94 122.89 2k7j h PHE 23 Ca 0.56 -0.26 -0.00 0.00 3.98 0.00 0.00 57.97 62.24 2k7j h PHE 23 Cb 0.56 -0.01 -0.00 0.00 2.56 0.00 0.00 35.95 39.06 2k7j h PHE 23 CO 1.49 1.61 -0.00 0.07 -2.02 0.00 0.00 178.31 179.46 2k7j h ARG 24 N -0.34 0.00 0.00 1.11 0.11 -1.96 -0.73 114.38 112.57 2k7j h ARG 24 Ca -0.35 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 59.70 2k7j h ARG 24 Cb 1.74 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.82 2k7j h ARG 24 CO 0.01 0.00 -0.13 -0.22 0.10 0.00 0.00 179.97 179.74 2k7j h LYS 25 N 0.00 0.00 0.01 0.08 3.64 -1.92 -1.98 116.57 116.40 2k7j h LYS 25 Ca -0.00 0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 59.05 2k7j h LYS 25 Cb 0.01 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.78 2k7j h LYS 25 CO 0.00 0.13 -1.99 0.72 -2.27 0.00 0.00 179.45 176.04 2k7j n HIS 26 N -4.22 0.67 -0.04 1.91 8.25 -0.35 -3.87 115.22 117.57 2k7j n HIS 26 Ca -0.03 0.22 -0.00 0.00 -0.26 0.00 0.00 57.72 57.65 2k7j n HIS 26 Cb 0.20 -1.12 0.29 0.00 1.12 0.00 0.00 29.99 30.49 2k7j n HIS 26 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 2k7j h THR 27 N 0.01 1.19 0.00 1.59 2.02 -1.04 -2.23 112.91 114.45 2k7j h THR 27 Ca -0.40 -0.70 -0.14 0.00 0.77 0.00 0.00 66.41 65.94 2k7j h THR 27 Cb 2.08 0.80 -0.02 0.00 -1.74 0.00 0.00 68.15 69.27 2k7j h THR 27 CO 0.06 0.25 -0.68 0.06 0.37 0.00 0.00 175.52 175.57 2k7j h GLN 28 N 0.59 0.00 -0.15 6.66 -0.00 -1.54 -3.26 115.11 117.42 2k7j h GLN 28 Ca 0.13 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.77 2k7j h GLN 28 Cb 0.25 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.73 2k7j h GLN 28 CO -0.00 0.68 0.04 0.00 -0.00 0.00 0.00 178.83 179.56 2k7j h ALA 29 N 1.32 0.20 -0.68 0.06 0.00 -1.52 -3.02 119.26 115.62 2k7j h ALA 29 Ca -0.01 -0.13 0.11 0.00 0.00 0.00 0.00 54.91 54.89 2k7j h ALA 29 Cb 1.26 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.92 2k7j h ALA 29 CO 0.09 -0.18 0.26 0.93 0.00 0.00 0.00 179.25 180.35 2k7j h GLU 30 N 0.06 0.42 -0.24 0.00 4.39 -1.54 0.14 114.58 117.81 2k7j h GLU 30 Ca 0.05 -0.03 0.07 0.00 0.34 0.00 0.00 59.36 59.79 2k7j h GLU 30 Cb 0.23 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 2k7j h GLU 30 CO -0.00 0.28 0.30 0.78 -1.16 0.00 0.00 179.01 179.21 2k7j h GLY 31 N 0.43 0.00 1.06 -3.84 0.00 -1.58 0.32 103.07 99.46 2k7j h GLY 31 Ca 0.35 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.39 2k7j h GLY 31 CO -0.35 0.00 -1.65 0.50 0.00 0.00 0.00 176.54 175.04 2k7j h LYS 32 N 0.00 0.03 0.12 4.80 1.79 -0.76 0.19 116.57 122.74 2k7j h LYS 32 Ca 0.11 -0.05 -0.01 0.00 -2.18 0.00 0.00 60.65 58.53 2k7j h LYS 32 Cb 0.72 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.39 2k7j h LYS 32 CO -0.00 0.61 -0.06 -0.22 -1.08 0.00 0.00 179.45 178.71 2k7j h LYS 33 N 0.01 -0.15 0.09 3.15 1.63 -0.09 -3.33 116.57 117.88 2k7j h LYS 33 Ca -0.27 0.01 -0.35 0.00 -0.85 0.00 0.00 60.65 59.19 2k7j h LYS 33 Cb 1.99 0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 33.63 2k7j h LYS 33 CO 0.09 0.11 -1.94 1.28 -3.45 0.00 0.00 179.45 175.53 2k7j n LEU 34 N -5.05 2.22 0.00 5.20 4.77 -0.79 -5.00 117.00 118.35 2k7j n LEU 34 Ca -0.09 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 2k7j n LEU 34 Cb 0.18 -0.81 0.00 0.00 -2.33 0.00 0.00 43.42 40.46 2k7j n LEU 34 CO 0.33 0.75 0.00 0.61 -1.33 0.00 0.00 177.39 177.75 2k7j n GLY 35 N 1.90 1.87 3.91 -0.72 0.00 -0.22 -5.06 105.19 106.86 2k7j n GLY 35 Ca -0.29 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.45 2k7j n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k7j s LEU 36 N 0.00 3.98 0.00 0.99 1.43 0.52 -4.96 118.68 120.64 2k7j s LEU 36 Ca 0.00 0.75 0.01 0.00 -1.03 0.00 0.00 54.13 53.86 2k7j s LEU 36 Cb 0.00 -3.60 0.01 0.00 0.03 0.00 0.00 46.19 42.63 2k7j s LEU 36 CO 0.00 -0.27 0.07 1.33 0.23 0.00 0.00 176.35 177.70 2k7j n VAL 37 N -1.23 0.00 0.00 -1.59 0.24 -0.50 -3.81 118.33 111.45 2k7j n VAL 37 Ca -0.01 -1.27 0.00 0.00 -2.04 0.00 0.00 64.34 61.01 2k7j n VAL 37 Cb 0.54 0.11 0.00 0.00 -1.47 0.00 0.00 33.84 33.02 2k7j n VAL 37 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2k7j n GLY 38 N 1.59 0.54 3.51 7.63 0.00 -1.26 -2.35 105.19 114.85 2k7j n GLY 38 Ca -0.08 -1.59 -0.16 0.00 0.00 0.00 0.00 46.02 44.18 2k7j n GLY 38 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2k7j s TRP 39 N -3.16 -0.64 0.02 1.61 -2.14 -1.26 -3.09 118.94 110.28 2k7j s TRP 39 Ca 0.00 1.23 0.05 0.00 2.66 0.00 0.00 56.10 60.04 2k7j s TRP 39 Cb 0.00 0.34 -0.02 0.00 -3.10 0.00 0.00 33.47 30.69 2k7j s TRP 39 CO 0.00 -0.52 -0.15 0.54 -2.66 0.00 0.00 176.95 174.16 2k7j s VAL 40 N -0.79 1.17 -0.18 -0.66 0.11 -1.24 -3.20 120.40 115.61 2k7j s VAL 40 Ca -0.08 -0.84 -0.28 0.00 -2.93 0.00 0.00 61.98 57.85 2k7j s VAL 40 Cb -0.02 -1.02 0.09 0.00 -1.53 0.00 0.00 36.38 33.91 2k7j s VAL 40 CO 0.07 0.16 0.80 -1.58 -3.33 0.00 0.00 175.10 171.23 2k7j s GLN 41 N -0.78 0.82 0.04 1.54 0.74 -1.12 -2.34 119.66 118.55 2k7j s GLN 41 Ca 0.04 0.54 -0.08 0.00 0.05 0.00 0.00 55.36 55.91 2k7j s GLN 41 Cb -0.07 0.39 -0.05 0.00 1.10 0.00 0.00 33.01 34.38 2k7j s GLN 41 CO 0.00 -0.19 0.32 0.54 -0.55 0.00 0.00 175.29 175.41 2k7j s ASN 42 N -0.43 6.55 0.51 6.67 4.22 -1.26 -1.03 114.94 130.16 2k7j s ASN 42 Ca -0.04 0.64 0.06 0.00 -2.14 0.00 0.00 52.86 51.38 2k7j s ASN 42 Cb -0.03 -2.12 0.01 0.00 1.28 0.00 0.00 41.25 40.40 2k7j s ASN 42 CO 0.03 0.22 0.34 0.42 -2.04 0.00 0.00 177.10 176.07 2k7j s THR 43 N -1.34 1.82 -0.05 0.54 -4.23 0.06 -4.95 115.64 107.48 2k7j s THR 43 Ca 0.30 -1.54 0.13 0.00 -1.18 0.00 0.00 61.69 59.39 2k7j s THR 43 Cb -0.13 -2.36 -0.11 0.00 1.34 0.00 0.00 72.50 71.23 2k7j s THR 43 CO 0.17 0.00 1.10 0.44 -0.54 0.00 0.00 174.62 175.79 2k7j h ASP 44 N 0.92 0.00 0.09 3.99 3.32 -1.99 -3.29 116.42 119.46 2k7j h ASP 44 Ca -0.39 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.65 2k7j h ASP 44 Cb 1.29 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.84 2k7j h ASP 44 CO 0.60 0.74 -0.05 0.03 -1.72 0.00 0.00 179.24 178.85 2k7j h ARG 45 N 0.00 0.00 0.00 3.56 -0.00 -2.02 -3.45 114.38 112.47 2k7j h ARG 45 Ca -0.10 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.38 2k7j h ARG 45 Cb 1.65 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.62 2k7j h ARG 45 CO 0.08 0.05 0.00 0.41 0.00 0.00 0.00 179.97 180.50 2k7j n GLY 46 N -1.19 0.92 3.44 0.04 0.00 -1.24 -5.12 105.19 102.03 2k7j n GLY 46 Ca -0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.88 2k7j n GLY 46 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k7j s THR 47 N -1.46 0.00 -0.42 2.61 -4.23 -1.26 -4.12 115.64 106.76 2k7j s THR 47 Ca 0.00 -1.65 0.02 0.00 -1.18 0.00 0.00 61.69 58.88 2k7j s THR 47 Cb 0.00 -2.39 0.13 0.00 1.34 0.00 0.00 72.50 71.58 2k7j s THR 47 CO 0.00 0.00 0.21 -0.69 -0.54 0.00 0.00 174.62 173.60 2k7j s VAL 48 N -3.88 1.50 -0.49 2.29 1.01 -0.91 -0.76 120.40 119.15 2k7j s VAL 48 Ca 0.30 -2.43 -0.29 0.00 0.00 0.00 0.00 61.98 59.55 2k7j s VAL 48 Cb 0.02 -2.06 -0.10 0.00 0.00 0.00 0.00 36.38 34.24 2k7j s VAL 48 CO 0.12 -0.83 2.38 0.00 0.00 0.00 0.00 175.10 176.77 2k7j n GLN 49 N 3.76 1.05 -4.75 2.72 1.13 -0.20 -3.47 117.38 117.62 2k7j n GLN 49 Ca 0.06 0.15 -0.24 0.00 -1.94 0.00 0.00 57.00 55.04 2k7j n GLN 49 Cb 0.36 -2.91 -0.15 0.00 0.11 0.00 0.00 30.24 27.65 2k7j n GLN 49 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 2k7j s GLY 50 N 10.02 0.80 0.10 1.08 0.00 0.83 -2.80 107.32 117.36 2k7j s GLY 50 Ca 1.07 -0.72 0.10 0.00 0.00 0.00 0.00 44.72 45.17 2k7j s GLY 50 CO 0.36 -0.60 -0.26 1.25 0.00 0.00 0.00 173.10 173.85 2k7j s LYS 51 N -0.44 1.60 -0.59 2.90 2.20 -1.19 -1.42 119.74 122.80 2k7j s LYS 51 Ca 0.06 -1.24 0.00 0.00 -0.36 0.00 0.00 55.97 54.43 2k7j s LYS 51 Cb -0.06 -1.96 0.15 0.00 -1.51 0.00 0.00 37.83 34.45 2k7j s LYS 51 CO -0.00 0.48 0.37 -0.51 -0.36 0.00 0.00 175.35 175.32 2k7j s LEU 52 N -1.77 4.84 -0.26 5.43 1.43 0.73 -4.35 118.68 124.72 2k7j s LEU 52 Ca 0.14 -2.96 -0.15 0.00 -1.03 0.00 0.00 54.13 50.13 2k7j s LEU 52 Cb -0.10 -1.76 -0.04 0.00 0.03 0.00 0.00 46.19 44.32 2k7j s LEU 52 CO 0.05 -0.30 0.35 -1.58 0.23 0.00 0.00 176.35 175.10 2k7j s GLN 53 N -0.21 4.03 0.00 1.70 0.74 -0.99 -3.09 119.66 121.84 2k7j s GLN 53 Ca 0.17 0.02 0.00 0.00 0.05 0.00 0.00 55.36 55.60 2k7j s GLN 53 Cb -0.22 -3.64 0.00 0.00 1.10 0.00 0.00 33.01 30.25 2k7j s GLN 53 CO -0.02 -0.23 0.00 0.41 -0.55 0.00 0.00 175.29 174.90 2k7j n GLY 54 N 4.61 -0.50 3.74 2.59 0.00 -0.35 -1.41 105.19 113.88 2k7j n GLY 54 Ca -0.09 -1.44 -0.41 0.00 0.00 0.00 0.00 46.02 44.08 2k7j n GLY 54 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2k7j s PRO 55 N -2.00 4.40 0.52 1.61 0.04 -1.26 -0.42 135.00 137.90 2k7j s PRO 55 Ca 0.00 2.04 0.17 0.00 0.04 0.00 0.00 61.00 63.25 2k7j s PRO 55 Cb 0.00 -3.19 1.30 0.00 0.04 0.00 0.00 34.50 32.65 2k7j s PRO 55 CO 0.00 -0.23 2.16 0.82 0.04 0.00 0.00 177.00 179.78 2k7j h ILE 56 N 3.70 0.97 -0.80 0.56 2.04 -1.34 -0.63 117.51 122.02 2k7j h ILE 56 Ca -0.45 0.00 0.23 0.00 1.00 0.00 0.00 64.86 65.64 2k7j h ILE 56 Cb 1.21 1.00 -0.03 0.00 -0.74 0.00 0.00 36.82 38.26 2k7j h ILE 56 CO 0.76 0.00 0.57 -1.28 0.00 0.00 0.00 178.15 178.21 2k7j h SER 57 N 0.00 0.03 0.00 1.72 0.87 -1.83 -0.28 113.55 114.05 2k7j h SER 57 Ca 0.00 0.00 -0.30 0.00 -1.23 0.00 0.00 61.79 60.26 2k7j h SER 57 Cb 0.00 -0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 61.91 2k7j h SER 57 CO -0.00 0.01 -2.10 0.29 -0.53 0.00 0.00 176.83 174.50 2k7j n LYS 58 N -4.31 0.46 -0.18 2.24 4.01 -0.66 -4.49 118.16 115.23 2k7j n LYS 58 Ca 0.16 0.13 0.22 0.00 -0.51 0.00 0.00 58.31 58.31 2k7j n LYS 58 Cb 0.85 -1.34 0.61 0.00 -0.51 0.00 0.00 35.03 34.64 2k7j n LYS 58 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 2k7j h VAL 59 N -0.19 0.65 -0.80 -0.18 2.07 -0.86 0.12 116.25 117.06 2k7j h VAL 59 Ca -0.45 -0.07 0.23 0.00 0.82 0.00 0.00 66.70 67.23 2k7j h VAL 59 Cb 1.61 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.77 2k7j h VAL 59 CO -0.13 0.04 0.58 0.03 0.02 0.00 0.00 177.57 178.11 2k7j h ARG 60 N 0.21 0.01 0.19 1.57 2.47 -1.28 -0.35 114.38 117.20 2k7j h ARG 60 Ca 0.41 -0.00 -0.35 0.00 -1.26 0.00 0.00 59.98 58.78 2k7j h ARG 60 Cb 1.30 -0.00 0.01 0.00 -1.65 0.00 0.00 29.97 29.62 2k7j h ARG 60 CO -0.09 0.01 -1.76 0.93 0.56 0.00 0.00 179.97 179.62 2k7j h GLU 61 N 0.01 0.39 -0.88 0.04 4.39 -1.03 -3.33 114.58 114.18 2k7j h GLU 61 Ca 0.38 -0.67 0.20 0.00 0.34 0.00 0.00 59.36 59.61 2k7j h GLU 61 Cb 1.52 0.25 -0.06 0.00 -0.10 0.00 0.00 28.75 30.35 2k7j h GLU 61 CO -0.01 1.32 0.59 1.98 -1.16 0.00 0.00 179.01 181.73 2k7j h MET 62 N 0.10 0.37 0.08 2.33 4.05 -0.98 0.27 114.93 121.15 2k7j h MET 62 Ca -0.35 -0.02 -0.00 0.00 -0.28 0.00 0.00 59.70 59.05 2k7j h MET 62 Cb 2.09 -0.08 0.00 0.00 -0.80 0.00 0.00 31.60 32.81 2k7j h MET 62 CO 0.17 0.24 -0.04 1.96 0.23 0.00 0.00 176.91 179.48 2k7j h GLN 63 N 0.38 -0.10 0.00 0.39 4.20 -1.54 0.75 115.11 119.19 2k7j h GLN 63 Ca 0.45 0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.17 2k7j h GLN 63 Cb 1.16 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.96 2k7j h GLN 63 CO -0.16 0.26 0.00 1.63 -0.67 0.00 0.00 178.83 179.89 2k7j n LYS 64 N -4.96 0.04 -0.00 1.46 4.76 -0.56 -0.11 118.16 118.79 2k7j n LYS 64 Ca -0.08 0.22 0.04 0.00 -2.87 0.00 0.00 58.31 55.62 2k7j n LYS 64 Cb 0.21 -1.57 -0.12 0.00 -1.84 0.00 0.00 35.03 31.71 2k7j n LYS 64 CO 0.00 0.00 0.00 0.91 -1.37 0.00 0.00 177.40 176.94 2k7j n TRP 65 N -1.65 0.38 -0.03 2.13 7.02 0.84 -3.27 117.44 122.85 2k7j n TRP 65 Ca 0.04 0.12 0.04 0.00 -1.02 0.00 0.00 57.50 56.69 2k7j n TRP 65 Cb 0.23 -0.81 -0.15 0.00 -2.42 0.00 0.00 31.31 28.15 2k7j n TRP 65 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 2k7j n LEU 66 N -2.57 0.00 -0.05 -0.99 4.77 0.24 -3.07 117.00 115.33 2k7j n LEU 66 Ca -0.11 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.86 2k7j n LEU 66 Cb 0.75 0.13 -0.00 0.00 -2.33 0.00 0.00 43.42 41.97 2k7j n LEU 66 CO 0.44 0.13 -0.10 -0.08 -1.33 0.00 0.00 177.39 176.45 2k7j h GLU 67 N 0.00 0.00 0.08 3.23 4.22 -0.71 -3.42 114.58 117.98 2k7j h GLU 67 Ca -0.14 0.00 -0.16 0.00 0.08 0.00 0.00 59.36 59.13 2k7j h GLU 67 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 2k7j h GLU 67 CO 0.01 0.00 -0.80 1.79 -2.18 0.00 0.00 179.01 177.83 2k7j h THR 68 N -0.82 1.40 -2.22 0.32 1.35 -1.75 -3.45 112.91 107.75 2k7j h THR 68 Ca 0.00 -2.41 -0.44 0.00 -0.55 0.00 0.00 66.41 63.01 2k7j h THR 68 Cb 0.14 3.02 0.05 0.00 -1.73 0.00 0.00 68.15 69.63 2k7j h THR 68 CO 0.00 0.64 -0.05 -0.13 -0.25 0.00 0.00 175.52 175.73 2k7j s ARG 69 N -2.38 2.44 0.00 4.72 1.81 -1.20 -4.89 118.95 119.45 2k7j s ARG 69 Ca -0.18 -0.94 0.00 0.00 -1.72 0.00 0.00 55.73 52.89 2k7j s ARG 69 Cb 0.01 -2.51 0.00 0.00 -0.45 0.00 0.00 34.95 32.00 2k7j s ARG 69 CO 0.75 -0.77 0.00 0.41 -0.68 0.00 0.00 175.30 175.01 2k7j n GLY 70 N -2.34 0.47 3.90 -3.53 0.00 -1.17 -3.70 105.19 98.81 2k7j n GLY 70 Ca 0.09 0.30 -0.21 0.00 0.00 0.00 0.00 46.02 46.21 2k7j n GLY 70 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k7j s SER 71 N 2.00 5.80 0.14 1.61 0.01 -1.26 -5.04 113.70 116.96 2k7j s SER 71 Ca 0.00 -0.18 -0.11 0.00 1.31 0.00 0.00 55.95 56.97 2k7j s SER 71 Cb 0.00 -1.45 -0.04 0.00 0.21 0.00 0.00 66.02 64.74 2k7j s SER 71 CO 0.00 -0.16 1.47 1.55 0.41 0.00 0.00 173.24 176.51 2k7j h PRO 72 N 1.26 0.93 0.18 12.44 0.13 -2.01 -3.35 132.00 141.59 2k7j h PRO 72 Ca -0.49 -0.49 -0.01 0.00 -0.87 0.00 0.00 66.00 64.15 2k7j h PRO 72 Cb 1.24 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2k7j h PRO 72 CO 0.59 1.14 -0.09 0.93 -0.23 0.00 0.00 178.00 180.35 2k7j h GLU 73 N 0.76 -0.24 -7.23 0.86 3.07 -1.96 -3.46 114.58 106.37 2k7j h GLU 73 Ca 0.06 0.02 -0.44 0.00 -0.50 0.00 0.00 59.36 58.50 2k7j h GLU 73 Cb 0.97 0.05 0.19 0.00 -0.84 0.00 0.00 28.75 29.12 2k7j h GLU 73 CO 0.09 -0.16 0.08 -1.54 -1.40 0.00 0.00 179.01 176.08 2k7j s SER 74 N -5.21 1.54 -0.12 1.42 1.04 -1.26 -5.06 113.70 106.05 2k7j s SER 74 Ca -0.04 1.34 -0.05 0.00 0.48 0.00 0.00 55.95 57.68 2k7j s SER 74 Cb 0.00 -2.09 0.05 0.00 0.10 0.00 0.00 66.02 64.09 2k7j s SER 74 CO 0.11 -3.83 0.26 -2.28 0.98 0.00 0.00 173.24 168.48 2k7j s HIS 75 N -2.67 -0.37 -0.50 5.02 2.46 -1.26 -4.55 115.29 113.42 2k7j s HIS 75 Ca 0.67 0.87 -0.17 0.00 0.47 0.00 0.00 55.06 56.90 2k7j s HIS 75 Cb -0.22 0.03 0.08 0.00 -0.13 0.00 0.00 32.58 32.33 2k7j s HIS 75 CO 0.62 -0.28 0.51 0.42 -2.47 0.00 0.00 174.74 173.54 2k7j s ILE 76 N 1.66 5.08 -0.08 0.89 1.01 -1.26 -1.42 121.20 127.09 2k7j s ILE 76 Ca -0.06 -0.94 0.13 0.00 0.00 0.00 0.00 60.65 59.78 2k7j s ILE 76 Cb -0.11 -4.24 -0.02 0.00 0.01 0.00 0.00 42.46 38.10 2k7j s ILE 76 CO -0.09 -0.74 1.37 0.44 0.00 0.00 0.00 174.94 175.93 2k7j h ASP 77 N 8.89 0.00 -4.82 3.58 5.19 -1.90 -3.48 116.42 123.87 2k7j h ASP 77 Ca -0.28 0.00 0.13 0.00 -0.62 0.00 0.00 57.03 56.25 2k7j h ASP 77 Cb 1.10 0.00 -0.13 0.00 0.18 0.00 0.00 39.33 40.48 2k7j h ASP 77 CO 0.95 0.65 0.50 -1.59 -3.12 0.00 0.00 179.24 176.63 2k7j s LYS 78 N -2.88 0.91 0.30 3.56 -2.85 -1.26 -5.04 119.74 112.48 2k7j s LYS 78 Ca 0.03 -0.39 -0.13 0.00 -1.00 0.00 0.00 55.97 54.48 2k7j s LYS 78 Cb 0.08 0.38 0.01 0.00 -2.06 0.00 0.00 37.83 36.25 2k7j s LYS 78 CO 0.77 -0.40 0.60 0.00 0.10 0.00 0.00 175.35 176.41 2k7j s ALA 79 N -3.15 -0.38 -0.29 0.59 0.00 -1.26 -2.77 121.76 114.50 2k7j s ALA 79 Ca 0.07 -0.85 -0.20 0.00 0.00 0.00 0.00 51.96 50.98 2k7j s ALA 79 Cb -0.01 0.95 0.17 0.00 0.00 0.00 0.00 23.12 24.24 2k7j s ALA 79 CO -0.06 -0.91 1.22 0.54 0.00 0.00 0.00 175.76 176.54 2k7j s ASN 80 N -3.05 -0.22 0.62 0.00 4.22 -1.26 -5.00 114.94 110.24 2k7j s ASN 80 Ca 0.20 0.39 -0.06 0.00 -2.14 0.00 0.00 52.86 51.25 2k7j s ASN 80 Cb -0.03 0.75 0.02 0.00 1.28 0.00 0.00 41.25 43.27 2k7j s ASN 80 CO 0.11 -0.06 0.93 0.72 -2.04 0.00 0.00 177.10 176.76 2k7j s PHE 81 N 0.64 3.18 0.00 1.54 -0.12 -1.26 -4.43 117.98 117.53 2k7j s PHE 81 Ca -0.01 0.61 0.00 0.00 -0.05 0.00 0.00 56.93 57.47 2k7j s PHE 81 Cb -0.04 -2.85 0.00 0.00 -0.63 0.00 0.00 43.02 39.51 2k7j s PHE 81 CO -0.12 -0.96 0.00 1.63 -0.05 0.00 0.00 175.22 175.72 2k7j n LYS 82 N -2.67 0.00 -3.40 1.99 5.02 -1.22 -5.03 118.16 112.85 2k7j n LYS 82 Ca 0.05 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.36 2k7j n LYS 82 Cb 0.58 -0.35 -0.04 0.00 -0.02 0.00 0.00 35.03 35.19 2k7j n LYS 82 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 2k7j s ASN 83 N -3.37 -0.46 0.45 4.39 2.47 -1.26 -5.08 114.94 112.09 2k7j s ASN 83 Ca 0.00 0.64 -0.21 0.00 0.42 0.00 0.00 52.86 53.71 2k7j s ASN 83 Cb 0.00 1.48 -0.09 0.00 -1.45 0.00 0.00 41.25 41.18 2k7j s ASN 83 CO 0.00 -0.09 1.01 -1.83 -3.72 0.00 0.00 177.10 172.47 2k7j s GLU 84 N 2.19 4.00 -0.25 0.43 -1.05 -1.26 -4.32 118.70 118.43 2k7j s GLU 84 Ca -0.03 1.31 0.02 0.00 -0.15 0.00 0.00 54.97 56.11 2k7j s GLU 84 Cb -0.05 -2.19 0.05 0.00 -0.44 0.00 0.00 34.13 31.50 2k7j s GLU 84 CO -0.17 -0.25 -0.11 0.21 0.95 0.00 0.00 175.26 175.89 2k7j s LYS 85 N -3.09 2.43 -0.37 -4.83 2.36 0.39 -4.88 119.74 111.74 2k7j s LYS 85 Ca 0.64 -1.23 -0.28 0.00 -2.55 0.00 0.00 55.97 52.55 2k7j s LYS 85 Cb -0.15 -2.88 -0.02 0.00 -1.05 0.00 0.00 37.83 33.74 2k7j s LYS 85 CO 0.19 -0.50 1.77 0.08 1.55 0.00 0.00 175.35 178.44 2k7j s VAL 86 N 1.17 3.50 0.44 4.02 1.01 -1.26 -1.20 120.40 128.07 2k7j s VAL 86 Ca -0.06 0.49 0.07 0.00 0.00 0.00 0.00 61.98 62.48 2k7j s VAL 86 Cb -0.19 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 2k7j s VAL 86 CO -0.06 -0.50 0.19 0.27 0.00 0.00 0.00 175.10 175.00 2k7j s ILE 87 N 7.04 2.11 -0.14 2.22 -4.36 -0.60 -5.00 121.20 122.47 2k7j s ILE 87 Ca 0.77 -1.71 0.14 0.00 -0.26 0.00 0.00 60.65 59.59 2k7j s ILE 87 Cb -0.20 -2.82 -0.20 0.00 1.25 0.00 0.00 42.46 40.49 2k7j s ILE 87 CO 0.32 0.00 0.08 0.18 0.24 0.00 0.00 174.94 175.76 2k7j n LEU 88 N -1.29 0.00 -4.09 0.37 4.77 -1.26 -4.30 117.00 111.20 2k7j n LEU 88 Ca -0.03 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.82 2k7j n LEU 88 Cb 0.65 0.35 -0.11 0.00 -2.33 0.00 0.00 43.42 41.98 2k7j n LEU 88 CO 0.44 0.35 -0.41 -0.54 -1.33 0.00 0.00 177.39 175.91 2k7j s LYS 89 N -2.43 0.59 -0.00 3.23 -0.14 -1.26 -4.93 119.74 114.80 2k7j s LYS 89 Ca -0.08 -0.84 -0.26 0.00 -1.36 0.00 0.00 55.97 53.44 2k7j s LYS 89 Cb 0.05 -0.36 -0.04 0.00 -1.68 0.00 0.00 37.83 35.80 2k7j s LYS 89 CO 0.64 0.06 0.79 -0.51 -0.76 0.00 0.00 175.35 175.58 2k7j s LEU 90 N -1.73 4.39 0.34 3.17 1.43 -1.26 -4.95 118.68 120.07 2k7j s LEU 90 Ca -0.07 1.41 0.16 0.00 -1.03 0.00 0.00 54.13 54.60 2k7j s LEU 90 Cb -0.09 -3.26 0.55 0.00 0.03 0.00 0.00 46.19 43.42 2k7j s LEU 90 CO 0.00 -0.09 1.68 -0.78 0.23 0.00 0.00 176.35 177.39 2k7j h ASP 91 N 6.29 0.00 -2.57 2.29 1.82 -1.98 -3.44 116.42 118.83 2k7j h ASP 91 Ca -0.42 0.00 -0.60 0.00 -0.39 0.00 0.00 57.03 55.62 2k7j h ASP 91 Cb 1.21 0.00 -0.12 0.00 0.68 0.00 0.00 39.33 41.09 2k7j h ASP 91 CO 0.73 0.45 -0.70 -0.31 -1.61 0.00 0.00 179.24 177.81 2k7j s TYR 92 N -3.55 2.61 -0.15 0.28 1.51 -1.26 -5.04 117.35 111.75 2k7j s TYR 92 Ca 0.00 -0.24 0.17 0.00 -1.01 0.00 0.00 57.07 55.99 2k7j s TYR 92 Cb 0.11 -1.21 -0.24 0.00 -0.11 0.00 0.00 41.96 40.51 2k7j s TYR 92 CO 0.71 0.58 0.13 0.43 -1.11 0.00 0.00 175.55 176.29 2k7j n SER 93 N -0.43 0.52 -3.73 2.29 7.64 -1.26 -4.91 113.62 113.74 2k7j n SER 93 Ca -0.08 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.68 2k7j n SER 93 Cb 0.57 1.12 -0.07 0.00 -1.01 0.00 0.00 64.21 64.83 2k7j n SER 93 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2k7j s ASP 94 N -5.05 -0.15 -0.06 6.43 -1.08 -1.26 -4.90 116.67 110.60 2k7j s ASP 94 Ca -0.09 -0.20 -0.30 0.00 -0.52 0.00 0.00 52.55 51.44 2k7j s ASP 94 Cb 0.07 0.38 -0.04 0.00 -1.46 0.00 0.00 42.92 41.87 2k7j s ASP 94 CO 0.76 -0.66 1.37 0.12 0.52 0.00 0.00 175.17 177.28 2k7j s PHE 95 N -2.76 2.77 0.22 -5.34 2.19 -1.25 -4.33 117.98 109.47 2k7j s PHE 95 Ca -0.03 0.83 0.09 0.00 0.33 0.00 0.00 56.93 58.15 2k7j s PHE 95 Cb -0.00 -3.62 -0.04 0.00 -1.31 0.00 0.00 43.02 38.04 2k7j s PHE 95 CO -0.05 -2.30 -0.08 -1.14 1.83 0.00 0.00 175.22 173.49 2k7j s GLN 96 N 2.91 2.10 -0.11 10.12 0.74 -1.18 -4.94 119.66 129.30 2k7j s GLN 96 Ca 0.62 -1.36 -0.05 0.00 0.05 0.00 0.00 55.36 54.62 2k7j s GLN 96 Cb -0.28 -2.12 -0.04 0.00 1.10 0.00 0.00 33.01 31.67 2k7j s GLN 96 CO 0.23 0.40 0.08 0.42 -0.55 0.00 0.00 175.29 175.88 2k7j s ILE 97 N -1.97 5.01 -0.20 -2.34 1.01 -1.26 -3.63 121.20 117.82 2k7j s ILE 97 Ca 0.27 0.02 -0.12 0.00 0.00 0.00 0.00 60.65 60.83 2k7j s ILE 97 Cb -0.08 -3.16 -0.05 0.00 0.01 0.00 0.00 42.46 39.19 2k7j s ILE 97 CO 0.17 0.61 0.21 -0.69 0.00 0.00 0.00 174.94 175.24 2k7j s VAL 98 N -0.96 5.35 -1.67 2.92 1.01 -0.99 -4.96 120.40 121.10 2k7j s VAL 98 Ca 0.14 0.34 0.00 0.00 0.00 0.00 0.00 61.98 62.46 2k7j s VAL 98 Cb -0.12 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.71 2k7j s VAL 98 CO 0.03 0.38 0.42 2.29 0.00 0.00 0.00 175.10 178.22