#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 -1.93 0.32 4.61 0.00 -1.26 -5.19 121.76 118.30 2k7j s ALA 2 Ca 0.00 0.91 0.02 0.00 0.00 0.00 0.00 51.96 52.88 2k7j s ALA 2 Cb 0.00 0.31 -0.02 0.00 0.00 0.00 0.00 23.12 23.42 2k7j s ALA 2 CO 0.00 -0.82 0.35 -1.83 0.00 0.00 0.00 175.76 173.46 2k7j s GLU 3 N -2.83 1.75 0.00 0.00 -1.05 -1.26 -4.75 118.70 110.56 2k7j s GLU 3 Ca 0.10 -1.84 0.00 0.00 -0.15 0.00 0.00 54.97 53.08 2k7j s GLU 3 Cb 0.00 0.37 0.00 0.00 -0.44 0.00 0.00 34.13 34.07 2k7j s GLU 3 CO -0.04 -0.68 0.00 0.41 0.95 0.00 0.00 175.26 175.90 2k7j n GLY 4 N -0.55 0.76 2.33 -3.83 0.00 -1.26 -4.93 105.19 97.72 2k7j n GLY 4 Ca 0.04 -1.89 -0.30 0.00 0.00 0.00 0.00 46.02 43.86 2k7j n GLY 4 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2k7j n ASN 5 N 3.00 6.17 -4.56 1.61 0.23 -1.26 -4.49 115.26 115.96 2k7j n ASN 5 Ca 0.00 -3.77 -0.40 0.00 -0.53 0.00 0.00 54.58 49.88 2k7j n ASN 5 Cb 0.00 -0.67 -0.01 0.00 -2.08 0.00 0.00 39.78 37.01 2k7j n ASN 5 CO 0.00 0.00 0.00 0.41 -0.93 0.00 0.00 177.26 176.74 2k7j n THR 6 N -0.71 3.46 -1.94 5.53 -1.04 -1.26 -4.93 114.28 113.39 2k7j n THR 6 Ca 0.51 -3.59 -0.42 0.00 -2.04 0.00 0.00 64.05 58.50 2k7j n THR 6 Cb 0.71 -2.31 -0.03 0.00 -1.82 0.00 0.00 70.33 66.88 2k7j n THR 6 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2k7j s LEU 7 N 5.75 4.12 0.00 -4.42 1.43 -1.26 -1.65 118.68 122.66 2k7j s LEU 7 Ca 0.57 2.09 0.06 0.00 -1.03 0.00 0.00 54.13 55.83 2k7j s LEU 7 Cb 0.03 -3.53 -0.02 0.00 0.03 0.00 0.00 46.19 42.70 2k7j s LEU 7 CO 0.09 -1.16 0.22 2.30 0.23 0.00 0.00 176.35 178.03 2k7j n ILE 8 N 6.01 0.00 -3.32 -0.59 -5.35 0.53 -1.07 119.36 115.56 2k7j n ILE 8 Ca 0.19 -2.38 -0.08 0.00 -0.27 0.00 0.00 62.75 60.22 2k7j n ILE 8 Cb 0.43 1.04 -0.07 0.00 -1.74 0.00 0.00 39.64 39.30 2k7j n ILE 8 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 2k7j s SER 9 N -3.38 0.12 -0.08 7.28 0.15 0.62 -0.93 113.70 117.47 2k7j s SER 9 Ca 0.31 0.15 0.02 0.00 0.70 0.00 0.00 55.95 57.13 2k7j s SER 9 Cb 0.01 1.21 -0.02 0.00 -1.71 0.00 0.00 66.02 65.52 2k7j s SER 9 CO 0.22 -0.31 -0.14 0.54 1.20 0.00 0.00 173.24 174.75 2k7j s VAL 10 N 2.57 3.00 0.01 4.45 0.11 -1.13 -1.73 120.40 127.69 2k7j s VAL 10 Ca 0.13 -0.72 0.07 0.00 -2.93 0.00 0.00 61.98 58.53 2k7j s VAL 10 Cb -0.15 -2.20 -0.02 0.00 -1.53 0.00 0.00 36.38 32.48 2k7j s VAL 10 CO -0.19 0.56 -0.22 1.51 -3.33 0.00 0.00 175.10 173.43 2k7j s ASP 11 N -0.27 2.56 0.30 3.54 -4.77 -1.26 -0.13 116.67 116.63 2k7j s ASP 11 Ca 0.02 -0.46 -0.20 0.00 -3.30 0.00 0.00 52.55 48.62 2k7j s ASP 11 Cb -0.13 -0.25 0.04 0.00 -1.09 0.00 0.00 42.92 41.49 2k7j s ASP 11 CO 0.03 0.22 0.80 -0.72 0.70 0.00 0.00 175.17 176.20 2k7j s TYR 12 N -0.64 -0.05 -0.50 2.11 -0.85 -0.63 -3.69 117.35 113.09 2k7j s TYR 12 Ca 0.08 -0.47 0.03 0.00 -0.52 0.00 0.00 57.07 56.19 2k7j s TYR 12 Cb -0.09 0.75 0.14 0.00 0.38 0.00 0.00 41.96 43.14 2k7j s TYR 12 CO 0.00 -1.30 0.27 -1.83 -1.52 0.00 0.00 175.55 171.18 2k7j s GLU 13 N -3.11 1.77 0.45 -3.49 -1.05 -1.26 -0.34 118.70 111.66 2k7j s GLU 13 Ca 0.14 -2.47 -0.23 0.00 -0.15 0.00 0.00 54.97 52.26 2k7j s GLU 13 Cb -0.05 -2.97 -0.10 0.00 -0.44 0.00 0.00 34.13 30.56 2k7j s GLU 13 CO 0.08 -1.14 0.88 -0.89 0.95 0.00 0.00 175.26 175.14 2k7j n ILE 14 N 3.16 2.43 -2.66 1.83 2.08 -1.06 -4.58 119.36 120.56 2k7j n ILE 14 Ca 0.08 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 62.89 2k7j n ILE 14 Cb 0.33 -0.99 0.00 0.00 -0.75 0.00 0.00 39.64 38.23 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 -0.76 -2.96 0.00 1.39 3.72 -1.15 -2.30 117.46 115.39 2k7j n PHE 15 Ca 0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.50 2k7j n PHE 15 Cb 0.40 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.94 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 5.00 -1.32 1.39 1.37 0.00 -1.26 -4.51 105.19 105.86 2k7j n GLY 16 Ca 0.00 -2.09 0.05 0.00 0.00 0.00 0.00 46.02 43.98 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 3.47 0.22 1.61 -0.00 -0.70 -4.27 118.16 118.50 2k7j n LYS 17 Ca 0.00 -2.12 0.06 0.00 -0.00 0.00 0.00 58.31 56.25 2k7j n LYS 17 Cb 0.00 -1.94 0.52 0.00 -0.00 0.00 0.00 35.03 33.61 2k7j n LYS 17 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.40 177.01 2k7j h VAL 18 N 2.79 1.02 -1.28 0.58 -1.51 -1.79 -3.43 116.25 112.64 2k7j h VAL 18 Ca 0.00 -0.79 -0.56 0.00 -1.23 0.00 0.00 66.70 64.12 2k7j h VAL 18 Cb 1.40 1.44 -0.02 0.00 -2.13 0.00 0.00 31.29 31.98 2k7j h VAL 18 CO 0.29 0.21 1.55 0.00 -1.23 0.00 0.00 177.57 178.40 2k7j n GLN 19 N -4.09 1.08 -0.79 5.19 10.64 -1.26 -2.36 117.38 125.80 2k7j n GLN 19 Ca -0.02 0.20 0.00 0.00 -1.83 0.00 0.00 57.00 55.35 2k7j n GLN 19 Cb 0.29 -2.80 0.00 0.00 -0.86 0.00 0.00 30.24 26.87 2k7j n GLN 19 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2k7j n GLY 20 N 6.23 0.74 3.32 2.61 0.00 -1.26 -5.00 105.19 111.82 2k7j n GLY 20 Ca 0.41 -0.44 -0.19 0.00 0.00 0.00 0.00 46.02 45.80 2k7j n GLY 20 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2k7j s VAL 21 N -2.26 0.17 -0.78 1.61 -7.23 -0.99 -5.07 120.40 105.85 2k7j s VAL 21 Ca 0.00 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.17 2k7j s VAL 21 Cb 0.00 -2.48 0.35 0.00 0.56 0.00 0.00 36.38 34.81 2k7j s VAL 21 CO 0.00 0.00 1.67 0.49 -0.31 0.00 0.00 175.10 176.95 2k7j n PHE 22 N -0.60 3.14 -0.06 2.82 3.72 -1.26 -4.56 117.46 120.66 2k7j n PHE 22 Ca 0.03 -2.74 0.00 0.00 -0.05 0.00 0.00 57.45 54.70 2k7j n PHE 22 Cb 0.64 -0.89 -0.16 0.00 -0.94 0.00 0.00 39.48 38.12 2k7j n PHE 22 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2k7j n PHE 23 N -0.37 0.00 -0.22 1.38 7.35 -1.26 -4.34 117.46 120.00 2k7j n PHE 23 Ca 0.47 0.00 0.20 0.00 -0.76 0.00 0.00 57.45 57.35 2k7j n PHE 23 Cb 0.34 -0.75 0.54 0.00 0.35 0.00 0.00 39.48 39.96 2k7j n PHE 23 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2k7j h ARG 24 N 0.00 0.34 -0.16 -4.13 3.08 -1.94 0.25 114.38 111.82 2k7j h ARG 24 Ca -0.28 -0.02 -0.13 0.00 0.07 0.00 0.00 59.98 59.62 2k7j h ARG 24 Cb 1.63 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.59 2k7j h ARG 24 CO 0.02 0.22 -0.47 1.57 -1.07 0.00 0.00 179.97 180.24 2k7j h LYS 25 N 0.35 0.40 -0.80 0.04 2.10 -1.94 -2.82 116.57 113.88 2k7j h LYS 25 Ca 0.45 -0.22 -0.21 0.00 -2.00 0.00 0.00 60.65 58.68 2k7j h LYS 25 Cb 1.20 0.01 -0.12 0.00 -0.90 0.00 0.00 32.23 32.42 2k7j h LYS 25 CO -0.15 0.79 0.26 0.72 -2.00 0.00 0.00 179.45 179.07 2k7j n HIS 26 N -3.98 2.21 -0.01 0.07 8.25 0.80 -4.17 115.22 118.39 2k7j n HIS 26 Ca -0.02 -1.11 -0.02 0.00 -0.26 0.00 0.00 57.72 56.32 2k7j n HIS 26 Cb 0.54 -0.64 -0.01 0.00 1.12 0.00 0.00 29.99 30.99 2k7j n HIS 26 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 2k7j n THR 27 N -0.13 0.14 0.04 1.59 -1.04 -0.63 -4.49 114.28 109.76 2k7j n THR 27 Ca 0.37 -0.06 -0.03 0.00 -2.04 0.00 0.00 64.05 62.29 2k7j n THR 27 Cb 1.28 -0.65 0.21 0.00 -1.82 0.00 0.00 70.33 69.35 2k7j n THR 27 CO 0.00 0.00 0.00 0.06 -0.64 0.00 0.00 175.07 174.49 2k7j h GLN 28 N 0.00 0.42 0.04 -2.82 -0.00 -1.70 -2.86 115.11 108.19 2k7j h GLN 28 Ca -0.05 -0.17 -0.00 0.00 -0.00 0.00 0.00 58.65 58.43 2k7j h GLN 28 Cb 1.09 -0.02 0.00 0.00 -0.00 0.00 0.00 27.48 28.55 2k7j h GLN 28 CO -0.01 0.68 -0.02 0.00 -0.00 0.00 0.00 178.83 179.49 2k7j h ALA 29 N 1.32 -0.05 -0.53 0.06 0.00 -1.84 -2.97 119.26 115.25 2k7j h ALA 29 Ca 0.05 -0.20 0.10 0.00 0.00 0.00 0.00 54.91 54.86 2k7j h ALA 29 Cb 0.71 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.44 2k7j h ALA 29 CO 0.05 -0.32 0.05 0.93 0.00 0.00 0.00 179.25 179.97 2k7j h GLU 30 N -0.46 0.17 -0.81 0.00 3.07 -1.77 -0.28 114.58 114.50 2k7j h GLU 30 Ca -0.00 -0.01 0.09 0.00 -0.50 0.00 0.00 59.36 58.93 2k7j h GLU 30 Cb 0.42 -0.04 -0.05 0.00 -0.84 0.00 0.00 28.75 28.24 2k7j h GLU 30 CO 0.01 0.11 0.53 0.78 -1.40 0.00 0.00 179.01 179.04 2k7j h GLY 31 N 0.18 1.09 1.71 -3.84 0.00 -1.52 -0.99 103.07 99.70 2k7j h GLY 31 Ca 0.27 -0.32 -0.14 0.00 0.00 0.00 0.00 47.33 47.14 2k7j h GLY 31 CO -0.40 0.20 -0.54 0.50 0.00 0.00 0.00 176.54 176.30 2k7j h LYS 32 N 0.78 0.30 -0.58 4.80 1.79 -0.93 0.28 116.57 123.02 2k7j h LYS 32 Ca 0.37 -0.18 -0.07 0.00 -2.18 0.00 0.00 60.65 58.59 2k7j h LYS 32 Cb 0.39 0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 31.03 2k7j h LYS 32 CO -0.14 0.76 0.10 -0.22 -1.08 0.00 0.00 179.45 178.88 2k7j h LYS 33 N 0.23 0.93 0.06 3.15 1.63 -0.12 -3.02 116.57 119.43 2k7j h LYS 33 Ca 0.00 -0.22 -0.28 0.00 -0.85 0.00 0.00 60.65 59.30 2k7j h LYS 33 Cb 1.02 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 32.51 2k7j h LYS 33 CO 0.09 0.86 -1.45 -0.07 -3.45 0.00 0.00 179.45 175.42 2k7j h LEU 34 N 0.88 0.19 0.00 5.20 3.38 -1.34 -3.48 115.31 120.14 2k7j h LEU 34 Ca 0.18 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2k7j h LEU 34 Cb 0.38 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2k7j h LEU 34 CO 0.01 1.23 0.00 0.61 0.09 0.00 0.00 178.44 180.38 2k7j n GLY 35 N 1.57 1.40 3.96 0.83 0.00 0.22 -4.97 105.19 108.19 2k7j n GLY 35 Ca -0.13 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.69 2k7j n GLY 35 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2k7j n LEU 36 N 0.00 0.00 0.00 0.99 4.77 0.75 -4.88 117.00 118.63 2k7j n LEU 36 Ca 0.00 -2.48 -0.13 0.00 -0.03 0.00 0.00 56.01 53.37 2k7j n LEU 36 Cb 0.00 -0.47 -0.03 0.00 -2.33 0.00 0.00 43.42 40.60 2k7j n LEU 36 CO 0.00 -0.76 0.17 1.33 -1.33 0.00 0.00 177.39 176.79 2k7j n VAL 37 N -2.38 0.00 0.00 4.08 0.24 -0.18 -3.73 118.33 116.36 2k7j n VAL 37 Ca 0.17 -1.57 0.00 0.00 -2.04 0.00 0.00 64.34 60.89 2k7j n VAL 37 Cb 0.61 0.98 0.00 0.00 -1.47 0.00 0.00 33.84 33.96 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 -0.52 0.47 3.63 7.63 0.00 -1.26 -1.53 105.19 113.61 2k7j n GLY 38 Ca 0.00 -0.93 -0.05 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.39 -0.19 -0.12 1.61 -2.14 -1.26 -3.68 118.94 112.78 2k7j s TRP 39 Ca 0.00 0.40 0.03 0.00 2.66 0.00 0.00 56.10 59.19 2k7j s TRP 39 Cb 0.00 0.46 0.01 0.00 -3.10 0.00 0.00 33.47 30.84 2k7j s TRP 39 CO 0.00 -0.12 -0.21 0.54 -2.66 0.00 0.00 176.95 174.50 2k7j s VAL 40 N -0.44 1.92 -0.00 -0.66 0.11 -1.24 -3.46 120.40 116.62 2k7j s VAL 40 Ca 0.05 -0.91 -0.13 0.00 -2.93 0.00 0.00 61.98 58.07 2k7j s VAL 40 Cb -0.03 -1.70 0.02 0.00 -1.53 0.00 0.00 36.38 33.14 2k7j s VAL 40 CO -0.09 0.53 0.26 -1.58 -3.33 0.00 0.00 175.10 170.89 2k7j s GLN 41 N 0.72 0.64 0.04 1.54 0.74 -1.21 -2.93 119.66 119.21 2k7j s GLN 41 Ca -0.10 -0.30 -0.01 0.00 0.05 0.00 0.00 55.36 55.00 2k7j s GLN 41 Cb -0.16 0.28 -0.04 0.00 1.10 0.00 0.00 33.01 34.19 2k7j s GLN 41 CO 0.01 -0.17 0.21 1.21 -0.55 0.00 0.00 175.29 175.99 2k7j s ASN 42 N -1.46 6.37 0.45 6.67 2.47 -1.26 -0.35 114.94 127.83 2k7j s ASN 42 Ca -0.13 0.30 0.06 0.00 0.42 0.00 0.00 52.86 53.52 2k7j s ASN 42 Cb -0.05 -1.97 -0.03 0.00 -1.45 0.00 0.00 41.25 37.75 2k7j s ASN 42 CO 0.02 0.19 0.23 0.42 -3.72 0.00 0.00 177.10 174.24 2k7j s THR 43 N -1.47 2.11 0.11 -5.21 -4.23 0.61 -4.91 115.64 102.65 2k7j s THR 43 Ca 0.33 -1.65 -0.01 0.00 -1.18 0.00 0.00 61.69 59.18 2k7j s THR 43 Cb -0.13 -2.76 -0.23 0.00 1.34 0.00 0.00 72.50 70.73 2k7j s THR 43 CO 0.26 0.00 1.24 -0.78 -0.54 0.00 0.00 174.62 174.80 2k7j h ASP 44 N 1.25 0.35 -0.53 3.99 3.58 -2.00 -3.23 116.42 119.83 2k7j h ASP 44 Ca -0.42 -0.33 0.15 0.00 0.42 0.00 0.00 57.03 56.85 2k7j h ASP 44 Cb 1.27 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 42.19 2k7j h ASP 44 CO 0.67 1.21 0.40 0.03 -2.88 0.00 0.00 179.24 178.66 2k7j h ARG 45 N 0.10 0.00 0.00 0.28 2.47 -2.04 -3.45 114.38 111.74 2k7j h ARG 45 Ca -0.09 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.63 2k7j h ARG 45 Cb 1.77 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.09 2k7j h ARG 45 CO 0.17 0.00 0.00 0.41 0.56 0.00 0.00 179.97 181.11 2k7j n GLY 46 N -1.63 0.92 3.55 0.04 0.00 -1.22 -5.15 105.19 101.71 2k7j n GLY 46 Ca 0.10 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.29 0.00 -0.29 2.61 -4.23 -1.26 -4.49 115.64 106.69 2k7j s THR 47 Ca 0.00 -1.46 0.03 0.00 -1.18 0.00 0.00 61.69 59.08 2k7j s THR 47 Cb 0.00 -2.24 0.07 0.00 1.34 0.00 0.00 72.50 71.67 2k7j s THR 47 CO 0.00 0.00 -0.05 -0.69 -0.54 0.00 0.00 174.62 173.34 2k7j s VAL 48 N -4.01 2.22 -0.77 2.29 1.01 -0.97 -0.29 120.40 119.88 2k7j s VAL 48 Ca 0.24 -1.88 -0.25 0.00 0.00 0.00 0.00 61.98 60.08 2k7j s VAL 48 Cb 0.00 -2.43 -0.06 0.00 0.00 0.00 0.00 36.38 33.89 2k7j s VAL 48 CO 0.10 -0.23 2.06 -1.10 0.00 0.00 0.00 175.10 175.93 2k7j s GLN 49 N 1.03 2.34 -0.05 2.72 -0.21 0.53 -2.58 119.66 123.44 2k7j s GLN 49 Ca -0.02 0.24 0.01 0.00 0.02 0.00 0.00 55.36 55.61 2k7j s GLN 49 Cb -0.20 -4.80 -0.03 0.00 1.00 0.00 0.00 33.01 28.98 2k7j s GLN 49 CO -0.06 -3.43 -0.07 0.20 -2.12 0.00 0.00 175.29 169.82 2k7j s GLY 50 N 9.01 1.71 0.09 3.09 0.00 0.54 -3.30 107.32 118.46 2k7j s GLY 50 Ca 0.76 -0.92 0.09 0.00 0.00 0.00 0.00 44.72 44.66 2k7j s GLY 50 CO 0.09 -0.71 -0.24 1.25 0.00 0.00 0.00 173.10 173.49 2k7j s LYS 51 N -0.94 1.39 -0.50 2.90 2.20 -1.23 -1.61 119.74 121.96 2k7j s LYS 51 Ca 0.13 -1.17 0.03 0.00 -0.36 0.00 0.00 55.97 54.61 2k7j s LYS 51 Cb -0.11 -1.69 0.13 0.00 -1.51 0.00 0.00 37.83 34.65 2k7j s LYS 51 CO 0.03 0.41 0.24 -0.51 -0.36 0.00 0.00 175.35 175.16 2k7j s LEU 52 N -1.68 4.53 -0.18 5.43 1.43 0.81 -4.40 118.68 124.61 2k7j s LEU 52 Ca 0.10 -2.82 -0.15 0.00 -1.03 0.00 0.00 54.13 50.23 2k7j s LEU 52 Cb -0.10 -1.67 -0.04 0.00 0.03 0.00 0.00 46.19 44.41 2k7j s LEU 52 CO 0.04 -0.28 0.35 -1.10 0.23 0.00 0.00 176.35 175.59 2k7j s GLN 53 N -0.02 4.21 0.00 1.70 -0.21 -0.58 -2.83 119.66 121.93 2k7j s GLN 53 Ca 0.16 0.16 0.00 0.00 0.02 0.00 0.00 55.36 55.69 2k7j s GLN 53 Cb -0.24 -3.49 0.00 0.00 1.00 0.00 0.00 33.01 30.28 2k7j s GLN 53 CO -0.02 0.08 0.00 0.41 -2.12 0.00 0.00 175.29 173.64 2k7j n GLY 54 N 3.71 0.70 3.75 3.09 0.00 -0.11 -1.01 105.19 115.33 2k7j n GLY 54 Ca -0.10 -1.83 -0.41 0.00 0.00 0.00 0.00 46.02 43.69 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 4.43 0.53 1.61 0.04 -1.26 -0.35 135.00 138.02 2k7j s PRO 55 Ca 0.00 2.06 0.26 0.00 0.04 0.00 0.00 61.00 63.36 2k7j s PRO 55 Cb 0.00 -3.15 1.41 0.00 0.04 0.00 0.00 34.50 32.79 2k7j s PRO 55 CO 0.00 -0.13 1.98 0.82 0.04 0.00 0.00 177.00 179.71 2k7j h ILE 56 N 3.36 0.71 -0.37 0.56 2.04 -1.61 0.12 117.51 122.32 2k7j h ILE 56 Ca -0.47 -0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.50 2k7j h ILE 56 Cb 1.22 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.98 2k7j h ILE 56 CO 0.71 0.00 0.34 -1.28 0.00 0.00 0.00 178.15 177.92 2k7j h SER 57 N 0.01 0.00 0.00 1.72 0.87 -1.85 -2.10 113.55 112.19 2k7j h SER 57 Ca 0.28 0.00 -0.25 0.00 -1.23 0.00 0.00 61.79 60.59 2k7j h SER 57 Cb 1.11 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.03 2k7j h SER 57 CO -0.00 0.00 -1.93 0.29 -0.53 0.00 0.00 176.83 174.65 2k7j n LYS 58 N -3.97 1.40 -0.04 2.24 4.01 0.28 -4.48 118.16 117.60 2k7j n LYS 58 Ca 0.06 0.02 0.19 0.00 -0.51 0.00 0.00 58.31 58.08 2k7j n LYS 58 Cb 0.51 -1.34 0.65 0.00 -0.51 0.00 0.00 35.03 34.34 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 0.00 0.75 0.00 -0.18 2.07 -0.62 0.24 116.25 118.51 2k7j h VAL 59 Ca -0.37 -0.03 -0.03 0.00 0.82 0.00 0.00 66.70 67.09 2k7j h VAL 59 Cb 1.76 0.65 -0.00 0.00 -1.52 0.00 0.00 31.29 32.17 2k7j h VAL 59 CO -0.00 0.02 -0.13 0.03 0.02 0.00 0.00 177.57 177.51 2k7j h ARG 60 N 0.09 0.00 0.00 1.57 2.47 -1.62 0.15 114.38 117.04 2k7j h ARG 60 Ca 0.28 0.00 -0.22 0.00 -1.26 0.00 0.00 59.98 58.78 2k7j h ARG 60 Cb 0.97 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 29.26 2k7j h ARG 60 CO -0.03 0.13 -1.38 0.93 0.56 0.00 0.00 179.97 180.18 2k7j h GLU 61 N 0.00 0.00 0.00 0.04 5.08 -0.80 -3.05 114.58 115.85 2k7j h GLU 61 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2k7j h GLU 61 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 2k7j h GLU 61 CO 0.02 0.48 -0.55 -0.12 -1.00 0.00 0.00 179.01 177.84 2k7j n MET 62 N -3.04 0.22 -0.04 2.33 1.56 -0.85 -2.68 117.12 114.61 2k7j n MET 62 Ca -0.10 0.07 -0.12 0.00 -0.27 0.00 0.00 57.70 57.28 2k7j n MET 62 Cb 0.92 -1.65 -0.14 0.00 2.15 0.00 0.00 33.22 34.51 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 -1.97 0.67 0.10 2.12 10.64 0.46 -3.74 117.38 125.66 2k7j n GLN 63 Ca 0.04 0.23 0.04 0.00 -1.83 0.00 0.00 57.00 55.48 2k7j n GLN 63 Cb 0.41 -1.71 -0.00 0.00 -0.86 0.00 0.00 30.24 28.08 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 0.01 0.00 0.00 2.61 3.11 -1.65 -3.11 116.57 117.55 2k7j h LYS 64 Ca -0.38 0.00 -0.14 0.00 -2.81 0.00 0.00 60.65 57.32 2k7j h LYS 64 Cb 2.06 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 33.26 2k7j h LYS 64 CO 0.06 0.29 -0.68 -1.49 -2.81 0.00 0.00 179.45 174.82 2k7j h TRP 65 N 0.00 0.00 -0.54 1.91 4.06 -1.67 -3.08 115.95 116.63 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 0.68 0.00 1.28 -3.56 0.00 0.00 178.44 176.84 2k7j n LEU 66 N -3.56 4.48 -0.06 -4.49 4.77 -1.24 -2.97 117.00 113.92 2k7j n LEU 66 Ca -0.00 -2.52 -0.07 0.00 -0.03 0.00 0.00 56.01 53.39 2k7j n LEU 66 Cb 0.71 -0.54 -0.08 0.00 -2.33 0.00 0.00 43.42 41.18 2k7j n LEU 66 CO 0.42 0.77 -0.90 1.21 -1.33 0.00 0.00 177.39 177.56 2k7j n GLU 67 N 0.75 1.55 0.00 3.23 2.13 -1.17 -4.88 120.64 122.24 2k7j n GLU 67 Ca 0.23 0.02 0.00 0.00 0.66 0.00 0.00 57.16 58.08 2k7j n GLU 67 Cb 0.86 -1.29 0.00 0.00 0.27 0.00 0.00 31.44 31.28 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 -2.59 0.00 -2.03 6.31 5.66 -1.18 -4.57 114.28 115.88 2k7j n THR 68 Ca -0.21 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.51 2k7j n THR 68 Cb 0.83 -0.19 0.13 0.00 -1.55 0.00 0.00 70.33 69.56 2k7j n THR 68 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 2k7j s ARG 69 N -1.35 1.36 0.00 1.09 1.81 -1.16 -4.67 118.95 116.02 2k7j s ARG 69 Ca 0.00 -0.31 0.00 0.00 -1.72 0.00 0.00 55.73 53.70 2k7j s ARG 69 Cb 0.00 -1.97 0.00 0.00 -0.45 0.00 0.00 34.95 32.53 2k7j s ARG 69 CO 0.00 -1.91 0.00 0.41 -0.68 0.00 0.00 175.30 173.12 2k7j n GLY 70 N -3.42 2.40 3.44 -3.53 0.00 -1.25 -4.40 105.19 98.44 2k7j n GLY 70 Ca 0.12 -1.24 -0.33 0.00 0.00 0.00 0.00 46.02 44.58 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 0.00 -1.79 0.18 1.61 3.41 -1.26 -4.87 113.62 110.91 2k7j n SER 71 Ca 0.00 0.31 0.14 0.00 -0.26 0.00 0.00 58.87 59.06 2k7j n SER 71 Cb 0.00 -1.23 0.57 0.00 -0.26 0.00 0.00 64.21 63.29 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 -1.64 0.00 0.00 4.33 0.13 -2.00 -2.83 132.00 129.98 2k7j h PRO 72 Ca -0.44 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.44 2k7j h PRO 72 Cb 1.28 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.37 2k7j h PRO 72 CO 0.35 0.00 -1.78 -1.91 -0.23 0.00 0.00 178.00 174.43 2k7j n GLU 73 N -2.54 0.64 -4.04 0.86 4.07 -1.26 -4.90 120.64 113.46 2k7j n GLU 73 Ca 0.01 0.17 -0.35 0.00 -0.06 0.00 0.00 57.16 56.94 2k7j n GLU 73 Cb 0.25 -1.72 -0.07 0.00 -0.06 0.00 0.00 31.44 29.84 2k7j n GLU 73 CO 0.00 0.00 0.00 -1.12 -0.06 0.00 0.00 177.13 175.95 2k7j s SER 74 N -5.76 5.98 -0.03 4.31 0.01 -1.07 -4.93 113.70 112.21 2k7j s SER 74 Ca -0.05 0.32 0.03 0.00 1.31 0.00 0.00 55.95 57.55 2k7j s SER 74 Cb 0.08 -1.84 0.00 0.00 0.21 0.00 0.00 66.02 64.47 2k7j s SER 74 CO 0.83 0.36 -0.11 -2.28 0.41 0.00 0.00 173.24 172.45 2k7j s HIS 75 N -1.06 1.12 -0.37 2.43 2.46 -1.26 -4.27 115.29 114.33 2k7j s HIS 75 Ca 0.18 -0.30 -0.04 0.00 0.47 0.00 0.00 55.06 55.37 2k7j s HIS 75 Cb -0.12 -0.79 0.08 0.00 -0.13 0.00 0.00 32.58 31.63 2k7j s HIS 75 CO 0.07 -0.12 0.14 0.42 -2.47 0.00 0.00 174.74 172.78 2k7j s ILE 76 N 0.20 3.35 -0.09 0.89 1.01 -1.26 -1.71 121.20 123.59 2k7j s ILE 76 Ca -0.04 -1.71 0.13 0.00 0.00 0.00 0.00 60.65 59.03 2k7j s ILE 76 Cb -0.10 -3.13 -0.01 0.00 0.01 0.00 0.00 42.46 39.23 2k7j s ILE 76 CO 0.01 -0.46 1.38 -0.78 0.00 0.00 0.00 174.94 175.09 2k7j h ASP 77 N 8.09 0.00 -4.45 3.58 3.58 -1.89 -3.45 116.42 121.88 2k7j h ASP 77 Ca -0.17 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.27 2k7j h ASP 77 Cb 1.06 0.00 -0.21 0.00 1.72 0.00 0.00 39.33 41.90 2k7j h ASP 77 CO 0.65 0.63 0.30 -1.59 -2.88 0.00 0.00 179.24 176.35 2k7j s LYS 78 N -2.89 0.85 0.27 0.28 -2.85 -1.26 -5.05 119.74 109.08 2k7j s LYS 78 Ca 0.03 0.37 -0.13 0.00 -1.00 0.00 0.00 55.97 55.24 2k7j s LYS 78 Cb 0.08 0.40 0.00 0.00 -2.06 0.00 0.00 37.83 36.26 2k7j s LYS 78 CO 0.77 -0.23 0.53 0.00 0.10 0.00 0.00 175.35 176.51 2k7j s ALA 79 N -0.80 -0.31 -0.01 0.59 0.00 -1.26 -2.94 121.76 117.02 2k7j s ALA 79 Ca -0.06 -0.85 -0.30 0.00 0.00 0.00 0.00 51.96 50.75 2k7j s ALA 79 Cb -0.01 1.03 0.12 0.00 0.00 0.00 0.00 23.12 24.25 2k7j s ALA 79 CO 0.05 -0.88 1.28 1.21 0.00 0.00 0.00 175.76 177.42 2k7j s ASN 80 N -3.03 -0.04 0.20 0.00 2.47 -1.26 -5.02 114.94 108.25 2k7j s ASN 80 Ca 0.21 -0.16 0.10 0.00 0.42 0.00 0.00 52.86 53.43 2k7j s ASN 80 Cb -0.02 0.16 -0.04 0.00 -1.45 0.00 0.00 41.25 39.91 2k7j s ASN 80 CO 0.10 -0.31 -0.14 0.72 -3.72 0.00 0.00 177.10 173.75 2k7j s PHE 81 N -2.32 2.51 0.00 0.43 -0.12 -1.26 -4.60 117.98 112.61 2k7j s PHE 81 Ca 0.18 -0.27 0.00 0.00 -0.05 0.00 0.00 56.93 56.79 2k7j s PHE 81 Cb 0.04 -1.22 0.00 0.00 -0.63 0.00 0.00 43.02 41.21 2k7j s PHE 81 CO -0.03 0.53 0.00 1.63 -0.05 0.00 0.00 175.22 177.30 2k7j n LYS 82 N 0.00 0.00 -3.15 1.99 4.76 -1.24 -5.01 118.16 115.51 2k7j n LYS 82 Ca -0.11 0.18 0.05 0.00 -2.87 0.00 0.00 58.31 55.56 2k7j n LYS 82 Cb 0.56 -0.60 -0.00 0.00 -1.84 0.00 0.00 35.03 33.14 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 -2.32 -1.12 1.31 4.39 0.01 -1.26 -5.11 114.94 110.84 2k7j s ASN 83 Ca 0.00 0.25 -0.20 0.00 -0.71 0.00 0.00 52.86 52.20 2k7j s ASN 83 Cb 0.00 1.76 0.31 0.00 0.41 0.00 0.00 41.25 43.73 2k7j s ASN 83 CO 0.00 -0.21 0.72 -1.84 -1.51 0.00 0.00 177.10 174.26 2k7j n GLU 84 N 5.33 -3.86 -3.66 -0.60 0.00 -1.26 -4.66 120.64 111.94 2k7j n GLU 84 Ca 0.04 -1.14 -0.09 0.00 0.00 0.00 0.00 57.16 55.97 2k7j n GLU 84 Cb 0.55 -1.81 -0.10 0.00 0.00 0.00 0.00 31.44 30.07 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 -4.51 0.32 -0.36 3.44 2.47 -0.71 -4.91 119.74 115.48 2k7j s LYS 85 Ca 0.58 0.98 -0.29 0.00 -1.56 0.00 0.00 55.97 55.68 2k7j s LYS 85 Cb -0.12 0.26 0.02 0.00 -1.46 0.00 0.00 37.83 36.53 2k7j s LYS 85 CO 0.51 -0.24 1.15 0.08 0.16 0.00 0.00 175.35 177.01 2k7j s VAL 86 N 2.42 4.33 0.27 4.02 1.01 -1.26 -0.28 120.40 130.91 2k7j s VAL 86 Ca -0.03 1.48 0.11 0.00 0.00 0.00 0.00 61.98 63.54 2k7j s VAL 86 Cb -0.11 -4.41 -0.05 0.00 0.00 0.00 0.00 36.38 31.80 2k7j s VAL 86 CO -0.12 -0.64 -0.13 0.27 0.00 0.00 0.00 175.10 174.48 2k7j s ILE 87 N 4.09 2.85 -0.05 2.22 -4.36 -0.24 -4.98 121.20 120.73 2k7j s ILE 87 Ca 0.49 -2.20 0.13 0.00 -0.26 0.00 0.00 60.65 58.80 2k7j s ILE 87 Cb -0.12 -2.51 -0.15 0.00 1.25 0.00 0.00 42.46 40.94 2k7j s ILE 87 CO 0.22 -0.38 0.96 -0.07 0.24 0.00 0.00 174.94 175.91 2k7j h LEU 88 N 2.15 0.00 -7.80 0.37 4.07 -1.96 -3.39 115.31 108.76 2k7j h LEU 88 Ca -0.42 0.00 -0.15 0.00 0.08 0.00 0.00 57.88 57.39 2k7j h LEU 88 Cb 1.25 0.00 -0.21 0.00 1.08 0.00 0.00 40.66 42.79 2k7j h LEU 88 CO 0.60 0.79 -0.54 -1.59 -1.08 0.00 0.00 178.44 176.62 2k7j s LYS 89 N -2.78 0.45 0.04 1.13 -2.85 -1.26 -4.95 119.74 109.51 2k7j s LYS 89 Ca -0.02 -0.46 -0.23 0.00 -1.00 0.00 0.00 55.97 54.27 2k7j s LYS 89 Cb 0.09 0.18 -0.06 0.00 -2.06 0.00 0.00 37.83 35.98 2k7j s LYS 89 CO 0.81 -0.10 0.70 -0.51 0.10 0.00 0.00 175.35 176.34 2k7j s LEU 90 N -1.42 4.45 0.31 2.77 1.43 -1.26 -4.96 118.68 119.99 2k7j s LEU 90 Ca -0.15 1.35 0.12 0.00 -1.03 0.00 0.00 54.13 54.42 2k7j s LEU 90 Cb -0.08 -3.11 0.50 0.00 0.03 0.00 0.00 46.19 43.52 2k7j s LEU 90 CO 0.01 0.07 1.69 0.44 0.23 0.00 0.00 176.35 178.79 2k7j h ASP 91 N 5.54 0.00 -3.02 2.29 5.19 -2.00 -3.44 116.42 120.99 2k7j h ASP 91 Ca -0.45 0.00 -0.62 0.00 -0.62 0.00 0.00 57.03 55.35 2k7j h ASP 91 Cb 1.20 0.00 -0.08 0.00 0.18 0.00 0.00 39.33 40.63 2k7j h ASP 91 CO 0.70 0.52 -0.58 -0.31 -3.12 0.00 0.00 179.24 176.45 2k7j s TYR 92 N -3.80 3.20 -0.13 4.55 1.51 -1.26 -5.02 117.35 116.39 2k7j s TYR 92 Ca -0.02 0.06 0.16 0.00 -1.01 0.00 0.00 57.07 56.26 2k7j s TYR 92 Cb 0.13 -1.60 -0.22 0.00 -0.11 0.00 0.00 41.96 40.16 2k7j s TYR 92 CO 0.75 0.52 0.13 0.43 -1.11 0.00 0.00 175.55 176.27 2k7j n SER 93 N 0.20 0.85 -3.75 2.29 7.64 -1.26 -4.89 113.62 114.70 2k7j n SER 93 Ca -0.08 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.67 2k7j n SER 93 Cb 0.52 1.12 -0.11 0.00 -1.01 0.00 0.00 64.21 64.74 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 -4.85 -0.36 0.18 6.43 1.47 -1.26 -4.92 116.67 113.36 2k7j s ASP 94 Ca -0.08 0.68 -0.32 0.00 1.18 0.00 0.00 52.55 54.02 2k7j s ASP 94 Cb 0.06 0.68 -0.11 0.00 -0.34 0.00 0.00 42.92 43.22 2k7j s ASP 94 CO 0.70 -0.12 1.64 0.12 0.68 0.00 0.00 175.17 178.19 2k7j s PHE 95 N 0.30 2.95 0.28 2.11 2.19 -1.24 -4.56 117.98 120.01 2k7j s PHE 95 Ca -0.01 0.48 0.06 0.00 0.33 0.00 0.00 56.93 57.79 2k7j s PHE 95 Cb -0.03 -4.02 -0.06 0.00 -1.31 0.00 0.00 43.02 37.60 2k7j s PHE 95 CO -0.01 -3.85 -0.04 -1.14 1.83 0.00 0.00 175.22 172.01 2k7j s GLN 96 N 1.25 1.53 -0.01 10.12 0.74 -1.24 -4.89 119.66 127.15 2k7j s GLN 96 Ca 0.72 -1.78 -0.01 0.00 0.05 0.00 0.00 55.36 54.34 2k7j s GLN 96 Cb -0.46 -1.07 -0.04 0.00 1.10 0.00 0.00 33.01 32.55 2k7j s GLN 96 CO 0.32 0.00 0.10 0.42 -0.55 0.00 0.00 175.29 175.58 2k7j s ILE 97 N -3.08 4.87 -0.16 -2.34 1.01 -1.26 -3.70 121.20 116.53 2k7j s ILE 97 Ca 0.30 -0.33 -0.16 0.00 0.00 0.00 0.00 60.65 60.46 2k7j s ILE 97 Cb 0.04 -3.22 -0.04 0.00 0.01 0.00 0.00 42.46 39.25 2k7j s ILE 97 CO 0.12 0.37 0.38 -0.69 0.00 0.00 0.00 174.94 175.12 2k7j s VAL 98 N -1.20 5.23 0.00 2.92 1.01 -1.15 -4.94 120.40 122.28 2k7j s VAL 98 Ca 0.23 0.72 0.00 0.00 0.00 0.00 0.00 61.98 62.93 2k7j s VAL 98 Cb -0.12 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.54 2k7j s VAL 98 CO 0.14 0.32 0.05 2.29 0.00 0.00 0.00 175.10 177.90