#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 4.15 -0.77 4.61 0.00 -1.26 -5.04 121.76 123.45 2k7j s ALA 2 Ca 0.00 -1.68 0.03 0.00 0.00 0.00 0.00 51.96 50.31 2k7j s ALA 2 Cb 0.00 -1.84 0.33 0.00 0.00 0.00 0.00 23.12 21.61 2k7j s ALA 2 CO 0.00 -0.87 1.29 -0.85 0.00 0.00 0.00 175.76 175.33 2k7j n GLU 3 N -2.35 4.09 -2.72 0.00 0.28 -1.26 -4.87 120.64 113.81 2k7j n GLU 3 Ca 0.11 -4.78 -0.22 0.00 -0.16 0.00 0.00 57.16 52.12 2k7j n GLU 3 Cb 0.60 -2.33 0.07 0.00 1.43 0.00 0.00 31.44 31.21 2k7j n GLU 3 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 2k7j s GLY 4 N -2.59 1.79 -0.10 -1.84 0.00 -1.26 -5.04 107.32 98.28 2k7j s GLY 4 Ca 0.44 -1.67 0.16 0.00 0.00 0.00 0.00 44.72 43.65 2k7j s GLY 4 CO -0.12 -1.24 1.16 -2.01 0.00 0.00 0.00 173.10 170.89 2k7j n ASN 5 N -2.50 1.37 -4.37 1.64 5.15 -1.26 -4.93 115.26 110.36 2k7j n ASN 5 Ca 0.12 -2.93 -0.45 0.00 -0.60 0.00 0.00 54.58 50.73 2k7j n ASN 5 Cb 0.60 -0.40 -0.05 0.00 -0.53 0.00 0.00 39.78 39.41 2k7j n ASN 5 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2k7j s THR 6 N -1.74 4.90 -0.16 -0.44 2.01 -1.26 -5.04 115.64 113.91 2k7j s THR 6 Ca 0.31 -1.02 -0.13 0.00 0.31 0.00 0.00 61.69 61.16 2k7j s THR 6 Cb 0.31 -4.43 -0.05 0.00 0.01 0.00 0.00 72.50 68.34 2k7j s THR 6 CO -0.08 -1.03 0.27 -0.76 -0.69 0.00 0.00 174.62 172.33 2k7j s LEU 7 N 2.48 4.26 0.00 4.42 1.43 -1.26 -0.17 118.68 129.84 2k7j s LEU 7 Ca 0.10 0.49 0.04 0.00 -1.03 0.00 0.00 54.13 53.73 2k7j s LEU 7 Cb -0.25 -2.33 -0.01 0.00 0.03 0.00 0.00 46.19 43.63 2k7j s LEU 7 CO 0.06 0.14 0.13 2.30 0.23 0.00 0.00 176.35 179.22 2k7j n ILE 8 N 3.39 0.00 -3.39 -0.59 -5.35 -0.81 -1.04 119.36 111.57 2k7j n ILE 8 Ca -0.13 -1.45 -0.13 0.00 -0.27 0.00 0.00 62.75 60.77 2k7j n ILE 8 Cb 0.52 0.63 -0.09 0.00 -1.74 0.00 0.00 39.64 38.96 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 -2.45 0.89 -0.09 7.28 1.04 -0.65 -3.07 113.70 116.65 2k7j s SER 9 Ca 0.19 -0.19 0.01 0.00 0.48 0.00 0.00 55.95 56.44 2k7j s SER 9 Cb 0.01 0.78 0.02 0.00 0.10 0.00 0.00 66.02 66.93 2k7j s SER 9 CO 0.13 -0.33 -0.12 0.54 0.98 0.00 0.00 173.24 174.44 2k7j s VAL 10 N 2.45 1.21 0.10 5.02 0.11 -1.26 -0.76 120.40 127.26 2k7j s VAL 10 Ca 0.10 -0.46 0.07 0.00 -2.93 0.00 0.00 61.98 58.75 2k7j s VAL 10 Cb -0.15 -1.14 -0.04 0.00 -1.53 0.00 0.00 36.38 33.52 2k7j s VAL 10 CO -0.21 0.38 -0.09 1.51 -3.33 0.00 0.00 175.10 173.37 2k7j s ASP 11 N 1.11 4.47 0.29 3.54 -4.77 -1.26 -2.21 116.67 117.83 2k7j s ASP 11 Ca -0.06 -0.36 -0.18 0.00 -3.30 0.00 0.00 52.55 48.66 2k7j s ASP 11 Cb -0.14 -0.88 0.02 0.00 -1.09 0.00 0.00 42.92 40.82 2k7j s ASP 11 CO -0.02 0.18 0.66 -0.72 0.70 0.00 0.00 175.17 175.97 2k7j s TYR 12 N -1.22 0.03 -0.53 2.11 -0.85 -0.39 -3.54 117.35 112.96 2k7j s TYR 12 Ca 0.22 -0.49 0.04 0.00 -0.52 0.00 0.00 57.07 56.32 2k7j s TYR 12 Cb -0.11 0.56 0.14 0.00 0.38 0.00 0.00 41.96 42.93 2k7j s TYR 12 CO 0.14 -1.21 0.29 -1.83 -1.52 0.00 0.00 175.55 171.42 2k7j s GLU 13 N -3.72 1.94 0.45 -3.49 -1.05 -1.26 -2.06 118.70 109.51 2k7j s GLU 13 Ca 0.15 -2.64 -0.24 0.00 -0.15 0.00 0.00 54.97 52.09 2k7j s GLU 13 Cb -0.04 -3.18 -0.09 0.00 -0.44 0.00 0.00 34.13 30.38 2k7j s GLU 13 CO 0.08 -1.14 1.18 -0.89 0.95 0.00 0.00 175.26 175.44 2k7j n ILE 14 N 3.00 2.79 -3.01 1.83 2.08 -1.03 -4.55 119.36 120.47 2k7j n ILE 14 Ca 0.08 -0.50 -0.08 0.00 0.56 0.00 0.00 62.75 62.80 2k7j n ILE 14 Cb 0.33 -1.42 0.03 0.00 -0.75 0.00 0.00 39.64 37.83 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 -0.53 -2.70 0.00 1.39 3.72 -1.13 -0.10 117.46 118.10 2k7j n PHE 15 Ca 0.08 -0.92 0.00 0.00 -0.05 0.00 0.00 57.45 56.56 2k7j n PHE 15 Cb 0.41 -0.24 0.00 0.00 -0.94 0.00 0.00 39.48 38.71 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 1.91 0.28 2.03 1.37 0.00 -1.25 -4.47 105.19 105.06 2k7j n GLY 16 Ca 0.07 -2.30 -0.22 0.00 0.00 0.00 0.00 46.02 43.57 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 0.00 2.10 0.19 1.61 2.85 -0.87 -4.49 118.16 119.55 2k7j n LYS 17 Ca 0.00 -2.43 0.14 0.00 -1.05 0.00 0.00 58.31 54.96 2k7j n LYS 17 Cb 0.00 -1.95 0.67 0.00 -0.65 0.00 0.00 35.03 33.09 2k7j n LYS 17 CO 0.00 0.00 0.00 -0.39 -0.05 0.00 0.00 177.40 176.96 2k7j h VAL 18 N 0.86 0.00 -0.04 0.58 -1.51 -1.85 -2.30 116.25 112.00 2k7j h VAL 18 Ca 0.49 -0.11 0.01 0.00 -1.23 0.00 0.00 66.70 65.86 2k7j h VAL 18 Cb 1.92 0.79 -0.00 0.00 -2.13 0.00 0.00 31.29 31.86 2k7j h VAL 18 CO 1.00 0.00 0.07 0.06 -1.23 0.00 0.00 177.57 177.47 2k7j h GLN 19 N 0.00 0.00 -2.21 5.19 3.07 -1.84 -3.14 115.11 116.17 2k7j h GLN 19 Ca 0.00 0.00 -0.59 0.00 0.09 0.00 0.00 58.65 58.15 2k7j h GLN 19 Cb 0.15 0.00 -0.41 0.00 0.08 0.00 0.00 27.48 27.30 2k7j h GLN 19 CO 0.00 0.00 -0.72 0.41 0.09 0.00 0.00 178.83 178.61 2k7j n GLY 20 N -1.24 4.25 3.62 0.06 0.00 -0.86 -5.04 105.19 105.97 2k7j n GLY 20 Ca -0.02 -2.45 -0.05 0.00 0.00 0.00 0.00 46.02 43.50 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 -2.05 0.00 -0.48 1.61 0.11 -1.19 -4.88 120.40 113.52 2k7j s VAL 21 Ca 0.38 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.46 2k7j s VAL 21 Cb 0.14 -1.00 0.55 0.00 -1.53 0.00 0.00 36.38 34.53 2k7j s VAL 21 CO -0.05 0.00 1.80 2.22 -3.33 0.00 0.00 175.10 175.74 2k7j n PHE 22 N 0.64 2.71 0.34 1.54 -1.74 -1.26 -4.62 117.46 115.08 2k7j n PHE 22 Ca -0.04 -2.24 0.23 0.00 -0.56 0.00 0.00 57.45 54.84 2k7j n PHE 22 Cb 0.58 -0.97 1.22 0.00 1.52 0.00 0.00 39.48 41.83 2k7j n PHE 22 CO 0.00 0.00 0.00 0.27 -0.56 0.00 0.00 176.76 176.47 2k7j h PHE 23 N 1.44 0.00 -0.88 2.97 -0.00 -1.96 -2.18 116.94 116.33 2k7j h PHE 23 Ca 0.52 0.00 0.25 0.00 -0.00 0.00 0.00 57.97 58.74 2k7j h PHE 23 Cb 1.83 0.00 -0.04 0.00 -0.00 0.00 0.00 35.95 37.74 2k7j h PHE 23 CO 1.37 0.00 0.62 -0.09 -0.00 0.00 0.00 178.31 180.21 2k7j h ARG 24 N 0.00 0.06 -0.60 6.09 2.43 -1.98 0.34 114.38 120.73 2k7j h ARG 24 Ca -0.00 -0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.10 2k7j h ARG 24 Cb 0.01 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.52 2k7j h ARG 24 CO 0.00 0.04 0.11 -0.22 -1.51 0.00 0.00 179.97 178.39 2k7j h LYS 25 N 0.07 0.97 0.00 0.20 3.11 -1.79 -2.61 116.57 116.51 2k7j h LYS 25 Ca 0.43 -0.23 -0.20 0.00 -2.81 0.00 0.00 60.65 57.83 2k7j h LYS 25 Cb 1.59 -0.13 -0.03 0.00 -1.00 0.00 0.00 32.23 32.66 2k7j h LYS 25 CO -0.04 0.89 -1.31 0.45 -2.81 0.00 0.00 179.45 176.63 2k7j h HIS 26 N 0.91 0.00 -0.29 1.91 3.86 -0.72 -3.35 115.15 117.47 2k7j h HIS 26 Ca 0.19 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.40 2k7j h HIS 26 Cb 0.39 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.84 2k7j h HIS 26 CO 0.03 0.77 0.19 1.15 0.86 0.00 0.00 177.93 180.92 2k7j h THR 27 N 0.00 1.07 -0.43 2.45 2.02 -0.33 -1.19 112.91 116.49 2k7j h THR 27 Ca -0.15 -0.13 0.02 0.00 0.77 0.00 0.00 66.41 66.91 2k7j h THR 27 Cb 1.72 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 68.76 2k7j h THR 27 CO 0.07 0.07 0.29 0.06 0.37 0.00 0.00 175.52 176.38 2k7j h GLN 28 N 0.38 0.52 -0.26 6.66 -0.00 -1.62 -2.23 115.11 118.57 2k7j h GLN 28 Ca 0.11 -0.03 -0.14 0.00 -0.00 0.00 0.00 58.65 58.58 2k7j h GLN 28 Cb -0.04 -0.12 -0.00 0.00 -0.00 0.00 0.00 27.48 27.32 2k7j h GLN 28 CO -0.03 0.35 -0.40 0.00 -0.00 0.00 0.00 178.83 178.75 2k7j h ALA 29 N 1.74 0.40 -0.66 0.06 0.00 -1.53 -3.20 119.26 116.07 2k7j h ALA 29 Ca 0.17 -0.45 0.12 0.00 0.00 0.00 0.00 54.91 54.74 2k7j h ALA 29 Cb 0.01 -0.07 -0.09 0.00 0.00 0.00 0.00 17.79 17.64 2k7j h ALA 29 CO -0.04 0.51 0.21 0.93 0.00 0.00 0.00 179.25 180.86 2k7j h GLU 30 N 0.47 0.35 -0.68 0.00 3.07 -0.61 0.24 114.58 117.42 2k7j h GLU 30 Ca 0.02 -0.02 0.04 0.00 -0.50 0.00 0.00 59.36 58.90 2k7j h GLU 30 Cb 0.99 -0.08 -0.04 0.00 -0.84 0.00 0.00 28.75 28.79 2k7j h GLU 30 CO 0.09 0.23 0.45 0.78 -1.40 0.00 0.00 179.01 179.16 2k7j h GLY 31 N 0.36 0.92 2.00 -3.84 0.00 -1.52 -1.20 103.07 99.78 2k7j h GLY 31 Ca 0.35 -0.31 -0.10 0.00 0.00 0.00 0.00 47.33 47.27 2k7j h GLY 31 CO -0.39 0.26 -0.50 0.50 0.00 0.00 0.00 176.54 176.42 2k7j h LYS 32 N 0.79 0.00 -0.24 4.80 1.79 -1.06 0.27 116.57 122.92 2k7j h LYS 32 Ca 0.28 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.66 2k7j h LYS 32 Cb 0.11 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.75 2k7j h LYS 32 CO -0.08 0.50 -0.24 -0.22 -1.08 0.00 0.00 179.45 178.33 2k7j h LYS 33 N 0.00 0.44 0.00 3.15 3.64 0.19 -3.34 116.57 120.65 2k7j h LYS 33 Ca -0.00 -0.16 -0.26 0.00 -1.27 0.00 0.00 60.65 58.96 2k7j h LYS 33 Cb 1.25 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 33.00 2k7j h LYS 33 CO 0.06 0.66 -1.73 1.28 -2.27 0.00 0.00 179.45 177.45 2k7j n LEU 34 N -4.13 1.92 0.00 5.20 4.77 -1.03 -5.04 117.00 118.68 2k7j n LEU 34 Ca -0.00 0.38 0.00 0.00 -0.03 0.00 0.00 56.01 56.36 2k7j n LEU 34 Cb 0.39 -0.83 0.00 0.00 -2.33 0.00 0.00 43.42 40.65 2k7j n LEU 34 CO 0.41 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 2k7j n GLY 35 N 1.37 0.49 3.61 -0.72 0.00 0.29 -5.04 105.19 105.19 2k7j n GLY 35 Ca -0.36 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.42 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 2.96 0.00 0.99 1.43 0.69 -4.72 118.68 120.03 2k7j s LEU 36 Ca 0.00 -0.92 0.04 0.00 -1.03 0.00 0.00 54.13 52.23 2k7j s LEU 36 Cb 0.00 -1.39 -0.02 0.00 0.03 0.00 0.00 46.19 44.81 2k7j s LEU 36 CO 0.00 -0.13 0.15 1.33 0.23 0.00 0.00 176.35 177.93 2k7j n VAL 37 N -0.88 0.00 0.00 -1.59 0.24 0.67 -4.29 118.33 112.48 2k7j n VAL 37 Ca -0.05 -1.69 0.00 0.00 -2.04 0.00 0.00 64.34 60.56 2k7j n VAL 37 Cb 0.61 0.73 0.00 0.00 -1.47 0.00 0.00 33.84 33.71 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 -0.18 0.69 3.60 7.63 0.00 -1.26 -0.94 105.19 114.72 2k7j n GLY 38 Ca 0.01 -0.68 -0.06 0.00 0.00 0.00 0.00 46.02 45.29 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 0.00 -0.21 -0.02 1.61 -2.14 -1.26 -3.83 118.94 113.09 2k7j s TRP 39 Ca 0.00 0.29 -0.01 0.00 2.66 0.00 0.00 56.10 59.05 2k7j s TRP 39 Cb 0.00 0.49 0.02 0.00 -3.10 0.00 0.00 33.47 30.88 2k7j s TRP 39 CO 0.00 -0.23 0.04 0.54 -2.66 0.00 0.00 176.95 174.64 2k7j s VAL 40 N -1.55 -0.04 -0.05 -0.66 0.11 -1.25 -3.36 120.40 113.59 2k7j s VAL 40 Ca 0.05 0.15 -0.05 0.00 -2.93 0.00 0.00 61.98 59.19 2k7j s VAL 40 Cb -0.01 -0.09 0.01 0.00 -1.53 0.00 0.00 36.38 34.77 2k7j s VAL 40 CO -0.04 0.06 0.15 -1.58 -3.33 0.00 0.00 175.10 170.36 2k7j s GLN 41 N 0.76 0.17 -0.76 1.54 2.00 -1.15 -3.34 119.66 118.88 2k7j s GLN 41 Ca -0.06 0.21 -0.17 0.00 -2.00 0.00 0.00 55.36 53.33 2k7j s GLN 41 Cb -0.09 0.07 0.15 0.00 0.80 0.00 0.00 33.01 33.95 2k7j s GLN 41 CO -0.02 -0.02 0.84 1.21 -0.50 0.00 0.00 175.29 176.79 2k7j s ASN 42 N 0.11 6.50 1.21 6.67 2.47 -1.26 -1.95 114.94 128.68 2k7j s ASN 42 Ca -0.00 -2.02 -0.18 0.00 0.42 0.00 0.00 52.86 51.07 2k7j s ASN 42 Cb -0.01 -2.30 0.24 0.00 -1.45 0.00 0.00 41.25 37.73 2k7j s ASN 42 CO -0.00 -0.92 0.53 0.35 -3.72 0.00 0.00 177.10 173.34 2k7j n THR 43 N 5.01 0.00 -0.03 -5.21 -2.24 -0.70 -4.95 114.28 106.15 2k7j n THR 43 Ca 0.07 -0.19 -0.10 0.00 -2.27 0.00 0.00 64.05 61.57 2k7j n THR 43 Cb 0.46 -0.76 -0.14 0.00 -2.10 0.00 0.00 70.33 67.78 2k7j n THR 43 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2k7j n ASP 44 N -3.39 0.82 -0.31 3.42 2.03 -1.26 -4.19 116.55 113.67 2k7j n ASP 44 Ca 0.06 0.34 -0.04 0.00 0.52 0.00 0.00 54.79 55.67 2k7j n ASP 44 Cb 0.53 0.05 0.08 0.00 -0.72 0.00 0.00 41.12 41.05 2k7j n ASP 44 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 2k7j h ARG 45 N 0.00 1.12 0.00 -0.67 3.08 -2.00 -3.46 114.38 112.45 2k7j h ARG 45 Ca -0.34 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 59.64 2k7j h ARG 45 Cb 2.05 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 31.85 2k7j h ARG 45 CO 0.07 0.76 0.00 0.41 -1.07 0.00 0.00 179.97 180.14 2k7j n GLY 46 N -1.29 0.49 3.44 0.04 0.00 -1.26 -5.02 105.19 101.59 2k7j n GLY 46 Ca 0.09 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.23 0.03 -0.40 2.61 -4.23 -1.26 -3.85 115.64 108.31 2k7j s THR 47 Ca 0.00 -1.43 0.01 0.00 -1.18 0.00 0.00 61.69 59.09 2k7j s THR 47 Cb 0.00 -2.05 0.11 0.00 1.34 0.00 0.00 72.50 71.90 2k7j s THR 47 CO 0.00 -0.12 0.15 -0.69 -0.54 0.00 0.00 174.62 173.41 2k7j s VAL 48 N -4.01 2.79 -0.75 2.29 1.01 0.86 -1.73 120.40 120.87 2k7j s VAL 48 Ca 0.21 -2.32 -0.26 0.00 0.00 0.00 0.00 61.98 59.61 2k7j s VAL 48 Cb 0.02 -2.97 0.01 0.00 0.00 0.00 0.00 36.38 33.43 2k7j s VAL 48 CO 0.05 -0.67 1.59 -1.10 0.00 0.00 0.00 175.10 174.97 2k7j s GLN 49 N 0.87 2.96 0.26 2.72 -0.21 -0.82 -2.48 119.66 122.96 2k7j s GLN 49 Ca 0.11 -0.06 -0.17 0.00 0.02 0.00 0.00 55.36 55.25 2k7j s GLN 49 Cb -0.21 -4.52 0.01 0.00 1.00 0.00 0.00 33.01 29.29 2k7j s GLN 49 CO -0.06 -2.52 0.60 0.20 -2.12 0.00 0.00 175.29 171.39 2k7j s GLY 50 N 5.98 0.17 0.01 3.09 0.00 -0.88 -2.92 107.32 112.78 2k7j s GLY 50 Ca 0.52 -0.54 0.00 0.00 0.00 0.00 0.00 44.72 44.71 2k7j s GLY 50 CO 0.12 -0.33 0.00 0.58 0.00 0.00 0.00 173.10 173.47 2k7j n LYS 51 N -0.41 0.70 -3.27 2.90 2.85 -1.21 -1.26 118.16 118.45 2k7j n LYS 51 Ca -0.04 -0.05 -0.25 0.00 -1.05 0.00 0.00 58.31 56.92 2k7j n LYS 51 Cb 0.61 0.03 -0.08 0.00 -0.65 0.00 0.00 35.03 34.94 2k7j n LYS 51 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2k7j n LEU 52 N 0.00 -0.01 -4.67 -5.58 4.77 -0.94 -4.64 117.00 105.94 2k7j n LEU 52 Ca -0.00 -4.59 -0.42 0.00 -0.03 0.00 0.00 56.01 50.97 2k7j n LEU 52 Cb 0.01 0.58 -0.03 0.00 -2.33 0.00 0.00 43.42 41.66 2k7j n LEU 52 CO 0.01 1.99 1.18 -1.58 -1.33 0.00 0.00 177.39 177.66 2k7j s GLN 53 N -0.75 4.23 0.00 3.23 0.74 -0.12 -4.43 119.66 122.57 2k7j s GLN 53 Ca 0.34 1.91 0.00 0.00 0.05 0.00 0.00 55.36 57.67 2k7j s GLN 53 Cb 0.12 -3.78 0.00 0.00 1.10 0.00 0.00 33.01 30.46 2k7j s GLN 53 CO -0.14 -0.71 0.00 0.41 -0.55 0.00 0.00 175.29 174.30 2k7j n GLY 54 N 3.78 -0.67 3.77 2.59 0.00 -1.18 -0.24 105.19 113.25 2k7j n GLY 54 Ca 0.15 -1.45 -0.37 0.00 0.00 0.00 0.00 46.02 44.35 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 -1.99 3.67 0.37 1.61 0.04 -1.26 -1.92 135.00 135.52 2k7j s PRO 55 Ca 0.00 1.74 0.07 0.00 0.04 0.00 0.00 61.00 62.85 2k7j s PRO 55 Cb 0.00 -2.32 0.72 0.00 0.04 0.00 0.00 34.50 32.94 2k7j s PRO 55 CO 0.00 -0.62 1.93 0.82 0.04 0.00 0.00 177.00 179.17 2k7j h ILE 56 N 1.73 1.17 -0.83 0.56 2.04 -0.93 -0.33 117.51 120.92 2k7j h ILE 56 Ca -0.49 -0.64 0.22 0.00 1.00 0.00 0.00 64.86 64.94 2k7j h ILE 56 Cb 1.25 0.93 -0.04 0.00 -0.74 0.00 0.00 36.82 38.22 2k7j h ILE 56 CO 0.59 0.22 0.58 0.77 0.00 0.00 0.00 178.15 180.31 2k7j h SER 57 N 0.42 0.16 0.01 1.72 4.64 -1.90 0.10 113.55 118.70 2k7j h SER 57 Ca 0.10 0.02 -0.41 0.00 -0.47 0.00 0.00 61.79 61.02 2k7j h SER 57 Cb 0.26 -0.01 -0.07 0.00 -0.31 0.00 0.00 62.40 62.27 2k7j h SER 57 CO 0.00 0.06 -2.43 0.29 -0.87 0.00 0.00 176.83 173.89 2k7j n LYS 58 N -4.38 0.63 -0.22 4.77 4.01 -0.88 -4.24 118.16 117.86 2k7j n LYS 58 Ca 0.17 0.21 0.15 0.00 -0.51 0.00 0.00 58.31 58.33 2k7j n LYS 58 Cb 0.79 -1.53 0.46 0.00 -0.51 0.00 0.00 35.03 34.24 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 -0.36 0.78 -0.14 -0.18 2.07 -0.67 0.24 116.25 117.99 2k7j h VAL 59 Ca -0.60 -0.17 0.04 0.00 0.82 0.00 0.00 66.70 66.78 2k7j h VAL 59 Cb 1.80 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 2k7j h VAL 59 CO -0.19 0.09 0.14 0.03 0.02 0.00 0.00 177.57 177.66 2k7j h ARG 60 N 0.51 0.00 0.00 1.57 2.47 -1.01 -0.86 114.38 117.06 2k7j h ARG 60 Ca 0.42 0.00 -0.20 0.00 -1.26 0.00 0.00 59.98 58.95 2k7j h ARG 60 Cb 0.88 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 29.17 2k7j h ARG 60 CO -0.16 0.00 -1.99 0.39 0.56 0.00 0.00 179.97 178.77 2k7j n GLU 61 N -3.91 0.66 0.00 0.04 -0.58 0.72 -4.09 120.64 113.47 2k7j n GLU 61 Ca 0.00 -0.00 0.14 0.00 -0.42 0.00 0.00 57.16 56.88 2k7j n GLU 61 Cb 0.25 -1.60 0.73 0.00 -0.57 0.00 0.00 31.44 30.25 2k7j n GLU 61 CO 0.00 0.00 0.00 -0.12 -0.48 0.00 0.00 177.13 176.53 2k7j n MET 62 N -2.63 0.38 -0.05 3.49 1.56 -0.45 -2.70 117.12 116.72 2k7j n MET 62 Ca -0.17 0.01 -0.09 0.00 -0.27 0.00 0.00 57.70 57.18 2k7j n MET 62 Cb 0.88 -1.50 -0.15 0.00 2.15 0.00 0.00 33.22 34.60 2k7j n MET 62 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2k7j n GLN 63 N -1.31 0.65 0.10 2.12 10.64 -0.47 -3.80 117.38 125.32 2k7j n GLN 63 Ca 0.13 0.18 0.04 0.00 -1.83 0.00 0.00 57.00 55.52 2k7j n GLN 63 Cb 0.25 -1.69 -0.00 0.00 -0.86 0.00 0.00 30.24 27.93 2k7j n GLN 63 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.06 175.01 2k7j h LYS 64 N 0.00 0.00 0.00 2.61 3.11 -1.70 -2.97 116.57 117.61 2k7j h LYS 64 Ca -0.38 0.00 -0.07 0.00 -2.81 0.00 0.00 60.65 57.39 2k7j h LYS 64 Cb 2.09 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 33.31 2k7j h LYS 64 CO 0.06 0.28 -0.33 -1.49 -2.81 0.00 0.00 179.45 175.16 2k7j h TRP 65 N 0.00 0.00 -0.34 1.91 4.06 -1.68 -2.99 115.95 116.90 2k7j h TRP 65 Ca -0.06 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.89 2k7j h TRP 65 Cb 1.35 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.51 2k7j h TRP 65 CO 0.00 0.33 0.00 1.28 -3.56 0.00 0.00 178.44 176.49 2k7j n LEU 66 N -3.24 3.52 -0.01 -4.49 4.77 -1.24 -2.60 117.00 113.71 2k7j n LEU 66 Ca 0.02 -2.46 -0.04 0.00 -0.03 0.00 0.00 56.01 53.50 2k7j n LEU 66 Cb 0.62 -0.40 -0.01 0.00 -2.33 0.00 0.00 43.42 41.30 2k7j n LEU 66 CO 0.37 0.72 -0.30 1.21 -1.33 0.00 0.00 177.39 178.06 2k7j n GLU 67 N 0.17 0.22 -0.06 3.23 2.13 -1.12 -4.89 120.64 120.31 2k7j n GLU 67 Ca 0.17 0.09 -0.06 0.00 0.66 0.00 0.00 57.16 58.01 2k7j n GLU 67 Cb 0.67 -0.88 -0.10 0.00 0.27 0.00 0.00 31.44 31.39 2k7j n GLU 67 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 2k7j n THR 68 N -3.88 0.86 -3.16 6.31 5.66 -1.14 -4.60 114.28 114.33 2k7j n THR 68 Ca -0.06 -0.53 -0.11 0.00 -3.05 0.00 0.00 64.05 60.30 2k7j n THR 68 Cb 0.23 -0.68 0.03 0.00 -1.55 0.00 0.00 70.33 68.36 2k7j n THR 68 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2k7j n ARG 69 N -2.48 0.84 -2.66 1.09 5.12 -1.17 -4.78 116.66 112.63 2k7j n ARG 69 Ca -0.21 -1.71 0.00 0.00 -1.93 0.00 0.00 57.85 54.01 2k7j n ARG 69 Cb 0.91 -0.06 0.00 0.00 -1.16 0.00 0.00 32.46 32.14 2k7j n ARG 69 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2k7j n GLY 70 N 1.26 -0.52 3.45 -0.13 0.00 -1.07 -4.13 105.19 104.04 2k7j n GLY 70 Ca 0.07 -1.45 -0.33 0.00 0.00 0.00 0.00 46.02 44.31 2k7j n GLY 70 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2k7j n SER 71 N 2.65 -1.75 0.17 1.61 3.41 -1.26 -4.86 113.62 113.59 2k7j n SER 71 Ca 0.00 0.32 0.14 0.00 -0.26 0.00 0.00 58.87 59.06 2k7j n SER 71 Cb 0.00 -1.24 0.56 0.00 -0.26 0.00 0.00 64.21 63.27 2k7j n SER 71 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 2k7j h PRO 72 N -1.65 0.00 0.00 4.33 0.13 -2.02 -3.34 132.00 129.46 2k7j h PRO 72 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2k7j h PRO 72 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2k7j h PRO 72 CO 0.35 0.00 -0.41 -1.91 -0.23 0.00 0.00 178.00 175.81 2k7j n GLU 73 N -2.49 0.23 -0.96 0.86 4.07 -1.26 -5.00 120.64 116.10 2k7j n GLU 73 Ca 0.02 0.14 -0.34 0.00 -0.06 0.00 0.00 57.16 56.92 2k7j n GLU 73 Cb 0.25 -0.96 0.11 0.00 -0.06 0.00 0.00 31.44 30.77 2k7j n GLU 73 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 2k7j n SER 74 N -3.37 -1.60 -3.65 4.31 7.64 -1.25 -5.02 113.62 110.67 2k7j n SER 74 Ca -0.06 0.42 -0.16 0.00 1.01 0.00 0.00 58.87 60.09 2k7j n SER 74 Cb 0.21 -1.23 -0.15 0.00 -1.01 0.00 0.00 64.21 62.03 2k7j n SER 74 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 2k7j s HIS 75 N -2.23 -0.24 -0.51 1.43 2.46 -1.26 -4.60 115.29 110.34 2k7j s HIS 75 Ca 0.61 0.66 -0.18 0.00 0.47 0.00 0.00 55.06 56.62 2k7j s HIS 75 Cb -0.26 -0.22 0.07 0.00 -0.13 0.00 0.00 32.58 32.05 2k7j s HIS 75 CO 0.63 -0.32 0.54 0.42 -2.47 0.00 0.00 174.74 173.55 2k7j s ILE 76 N 2.32 5.02 0.05 0.89 1.01 -1.26 -2.06 121.20 127.17 2k7j s ILE 76 Ca 0.03 -0.83 0.16 0.00 0.00 0.00 0.00 60.65 60.01 2k7j s ILE 76 Cb -0.12 -4.26 0.06 0.00 0.01 0.00 0.00 42.46 38.15 2k7j s ILE 76 CO -0.07 -0.77 1.57 -0.78 0.00 0.00 0.00 174.94 174.90 2k7j h ASP 77 N 8.92 0.00 -4.73 3.58 1.82 -1.86 -3.44 116.42 120.71 2k7j h ASP 77 Ca -0.28 0.00 0.03 0.00 -0.39 0.00 0.00 57.03 56.39 2k7j h ASP 77 Cb 1.10 0.00 -0.16 0.00 0.68 0.00 0.00 39.33 40.95 2k7j h ASP 77 CO 0.95 0.50 0.36 -1.59 -1.61 0.00 0.00 179.24 177.86 2k7j s LYS 78 N -3.27 0.96 0.34 0.28 -2.85 -1.26 -5.06 119.74 108.88 2k7j s LYS 78 Ca 0.02 -0.16 -0.10 0.00 -1.00 0.00 0.00 55.97 54.72 2k7j s LYS 78 Cb 0.10 0.45 0.02 0.00 -2.06 0.00 0.00 37.83 36.33 2k7j s LYS 78 CO 0.73 -0.38 0.59 0.00 0.10 0.00 0.00 175.35 176.38 2k7j s ALA 79 N -2.59 -0.02 0.10 0.59 0.00 -1.26 -2.84 121.76 115.74 2k7j s ALA 79 Ca -0.00 -1.08 -0.26 0.00 0.00 0.00 0.00 51.96 50.61 2k7j s ALA 79 Cb -0.01 0.97 0.08 0.00 0.00 0.00 0.00 23.12 24.16 2k7j s ALA 79 CO -0.05 -0.88 0.89 -0.80 0.00 0.00 0.00 175.76 174.93 2k7j s ASN 80 N -3.12 -0.28 0.21 0.00 0.02 -1.26 -5.02 114.94 105.48 2k7j s ASN 80 Ca 0.23 -0.22 0.10 0.00 -1.02 0.00 0.00 52.86 51.95 2k7j s ASN 80 Cb -0.02 0.47 -0.04 0.00 0.02 0.00 0.00 41.25 41.67 2k7j s ASN 80 CO 0.15 -0.82 -0.20 0.72 0.02 0.00 0.00 177.10 176.97 2k7j s PHE 81 N -3.28 2.07 0.47 2.20 -0.12 -1.26 -4.55 117.98 113.51 2k7j s PHE 81 Ca 0.08 -0.41 0.07 0.00 -0.05 0.00 0.00 56.93 56.62 2k7j s PHE 81 Cb -0.01 -0.99 0.07 0.00 -0.63 0.00 0.00 43.02 41.45 2k7j s PHE 81 CO -0.03 0.48 0.54 1.63 -0.05 0.00 0.00 175.22 177.79 2k7j n LYS 82 N -0.01 0.73 -1.93 1.99 4.76 -1.23 -5.01 118.16 117.46 2k7j n LYS 82 Ca -0.10 -2.66 -0.32 0.00 -2.87 0.00 0.00 58.31 52.36 2k7j n LYS 82 Cb 0.58 -0.02 -0.04 0.00 -1.84 0.00 0.00 35.03 33.71 2k7j n LYS 82 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 2k7j s ASN 83 N -3.84 4.98 1.01 4.39 0.01 -1.26 -4.85 114.94 115.37 2k7j s ASN 83 Ca 0.41 0.06 -0.15 0.00 -0.71 0.00 0.00 52.86 52.48 2k7j s ASN 83 Cb -0.03 -2.54 0.06 0.00 0.41 0.00 0.00 41.25 39.15 2k7j s ASN 83 CO 0.26 -2.72 0.27 -1.84 -1.51 0.00 0.00 177.10 171.56 2k7j n GLU 84 N 9.02 -0.75 -3.57 -0.60 0.00 -1.26 -4.89 120.64 118.58 2k7j n GLU 84 Ca 0.32 -0.19 -0.29 0.00 0.00 0.00 0.00 57.16 57.00 2k7j n GLU 84 Cb 0.50 -1.80 -0.14 0.00 0.00 0.00 0.00 31.44 30.00 2k7j n GLU 84 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.13 177.34 2k7j s LYS 85 N -3.57 0.53 0.27 3.44 2.47 0.06 -4.96 119.74 117.98 2k7j s LYS 85 Ca 0.57 -1.05 -0.30 0.00 -1.56 0.00 0.00 55.97 53.62 2k7j s LYS 85 Cb -0.18 -1.50 -0.12 0.00 -1.46 0.00 0.00 37.83 34.57 2k7j s LYS 85 CO 0.67 -1.09 1.53 1.55 0.16 0.00 0.00 175.35 178.17 2k7j n VAL 86 N 4.60 0.99 -4.34 4.02 3.14 -1.26 -1.64 118.33 123.85 2k7j n VAL 86 Ca 0.02 -0.25 -0.19 0.00 -2.96 0.00 0.00 64.34 60.96 2k7j n VAL 86 Cb 0.40 -1.79 -0.09 0.00 -1.06 0.00 0.00 33.84 31.30 2k7j n VAL 86 CO 0.00 0.00 0.00 0.27 -6.46 0.00 0.00 176.83 170.64 2k7j s ILE 87 N -0.01 0.31 -0.16 1.55 -4.36 -0.20 -4.90 121.20 113.42 2k7j s ILE 87 Ca 0.66 -2.00 0.15 0.00 -0.26 0.00 0.00 60.65 59.20 2k7j s ILE 87 Cb -0.55 -2.50 -0.24 0.00 1.25 0.00 0.00 42.46 40.41 2k7j s ILE 87 CO 0.49 0.00 0.21 0.18 0.24 0.00 0.00 174.94 176.05 2k7j n LEU 88 N -0.59 0.42 -4.03 0.37 4.77 -1.26 -4.17 117.00 112.50 2k7j n LEU 88 Ca 0.01 0.10 -0.09 0.00 -0.03 0.00 0.00 56.01 56.00 2k7j n LEU 88 Cb 0.65 0.31 -0.09 0.00 -2.33 0.00 0.00 43.42 41.96 2k7j n LEU 88 CO 0.35 0.50 -0.18 -1.59 -1.33 0.00 0.00 177.39 175.13 2k7j s LYS 89 N -2.52 0.95 0.34 3.23 -2.85 -1.26 -4.88 119.74 112.74 2k7j s LYS 89 Ca -0.10 -1.25 -0.02 0.00 -1.00 0.00 0.00 55.97 53.60 2k7j s LYS 89 Cb 0.07 0.30 -0.04 0.00 -2.06 0.00 0.00 37.83 36.09 2k7j s LYS 89 CO 0.82 -0.29 0.57 -0.51 0.10 0.00 0.00 175.35 176.04 2k7j s LEU 90 N -2.98 3.99 0.03 2.77 1.43 -1.26 -5.01 118.68 117.65 2k7j s LEU 90 Ca 0.16 0.60 0.16 0.00 -1.03 0.00 0.00 54.13 54.03 2k7j s LEU 90 Cb 0.06 -3.46 -0.16 0.00 0.03 0.00 0.00 46.19 42.66 2k7j s LEU 90 CO -0.02 -0.29 0.77 0.47 0.23 0.00 0.00 176.35 177.51 2k7j n ASP 91 N -1.51 0.82 -4.77 2.29 8.00 -1.26 -4.94 116.55 115.18 2k7j n ASP 91 Ca -0.03 0.37 -0.23 0.00 0.71 0.00 0.00 54.79 55.61 2k7j n ASP 91 Cb 0.55 0.17 -0.06 0.00 -0.02 0.00 0.00 41.12 41.77 2k7j n ASP 91 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2k7j s TYR 92 N -2.86 2.68 -0.05 1.24 2.02 -1.26 -5.05 117.35 114.06 2k7j s TYR 92 Ca -0.03 -0.48 0.07 0.00 -0.37 0.00 0.00 57.07 56.25 2k7j s TYR 92 Cb 0.09 -1.89 -0.10 0.00 -0.40 0.00 0.00 41.96 39.66 2k7j s TYR 92 CO 0.82 0.17 0.08 0.43 -1.57 0.00 0.00 175.55 175.47 2k7j n SER 93 N -1.28 3.26 -4.01 2.29 7.64 -1.26 -4.99 113.62 115.26 2k7j n SER 93 Ca -0.01 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.77 2k7j n SER 93 Cb 0.63 0.93 -0.07 0.00 -1.01 0.00 0.00 64.21 64.68 2k7j n SER 93 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 2k7j s ASP 94 N -3.50 0.03 -0.20 6.43 1.47 -1.26 -4.94 116.67 114.69 2k7j s ASP 94 Ca -0.03 -0.97 -0.25 0.00 1.18 0.00 0.00 52.55 52.47 2k7j s ASP 94 Cb 0.03 0.46 -0.01 0.00 -0.34 0.00 0.00 42.92 43.07 2k7j s ASP 94 CO 0.30 -0.95 0.84 0.12 0.68 0.00 0.00 175.17 176.17 2k7j s PHE 95 N -4.01 3.37 0.16 2.11 2.19 -1.26 -4.16 117.98 116.38 2k7j s PHE 95 Ca 0.22 1.22 0.07 0.00 0.33 0.00 0.00 56.93 58.78 2k7j s PHE 95 Cb 0.03 -3.04 -0.04 0.00 -1.31 0.00 0.00 43.02 38.66 2k7j s PHE 95 CO 0.04 -0.32 -0.03 -1.14 1.83 0.00 0.00 175.22 175.60 2k7j s GLN 96 N 2.49 2.30 -0.12 10.12 0.74 -1.25 -4.97 119.66 128.97 2k7j s GLN 96 Ca 0.37 -1.11 -0.11 0.00 0.05 0.00 0.00 55.36 54.57 2k7j s GLN 96 Cb -0.16 -2.32 -0.05 0.00 1.10 0.00 0.00 33.01 31.58 2k7j s GLN 96 CO 0.10 0.46 0.23 0.42 -0.55 0.00 0.00 175.29 175.95 2k7j s ILE 97 N -1.62 5.35 -0.20 -2.34 1.01 -1.26 -3.89 121.20 118.24 2k7j s ILE 97 Ca 0.26 0.41 -0.23 0.00 0.00 0.00 0.00 60.65 61.09 2k7j s ILE 97 Cb -0.10 -3.53 -0.02 0.00 0.01 0.00 0.00 42.46 38.83 2k7j s ILE 97 CO 0.17 0.53 0.74 -0.69 0.00 0.00 0.00 174.94 175.69 2k7j s VAL 98 N -0.45 4.93 -1.65 2.92 1.01 -1.21 -4.99 120.40 120.96 2k7j s VAL 98 Ca 0.16 1.41 0.13 0.00 0.00 0.00 0.00 61.98 63.68 2k7j s VAL 98 Cb -0.13 -4.04 0.10 0.00 0.00 0.00 0.00 36.38 32.31 2k7j s VAL 98 CO 0.05 0.04 0.92 0.29 0.00 0.00 0.00 175.10 176.39