#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 3.37 0.62 4.61 0.00 -1.26 -4.99 121.76 124.11 2k7j s ALA 2 Ca 0.00 0.80 -0.18 0.00 0.00 0.00 0.00 51.96 52.59 2k7j s ALA 2 Cb 0.00 -3.33 -0.05 0.00 0.00 0.00 0.00 23.12 19.74 2k7j s ALA 2 CO 0.00 -0.16 0.88 -0.85 0.00 0.00 0.00 175.76 175.63 2k7j n GLU 3 N 2.10 0.75 -2.73 0.00 0.28 -1.26 -4.99 120.64 114.79 2k7j n GLU 3 Ca 0.02 0.30 -0.00 0.00 -0.16 0.00 0.00 57.16 57.31 2k7j n GLU 3 Cb 0.46 -2.09 0.02 0.00 1.43 0.00 0.00 31.44 31.26 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 -1.31 -1.69 -0.54 -1.84 0.00 -1.26 -5.10 107.32 95.57 2k7j s GLY 4 Ca 0.75 1.03 0.04 0.00 0.00 0.00 0.00 44.72 46.53 2k7j s GLY 4 CO 0.48 4.31 0.32 -1.31 0.00 0.00 0.00 173.10 176.91 2k7j s ASN 5 N 1.59 4.08 -0.64 1.64 0.01 -1.26 -4.31 114.94 116.05 2k7j s ASN 5 Ca 0.18 -3.14 0.05 0.00 -0.71 0.00 0.00 52.86 49.24 2k7j s ASN 5 Cb 0.07 -1.39 0.16 0.00 0.41 0.00 0.00 41.25 40.50 2k7j s ASN 5 CO -0.13 -0.20 0.42 -0.89 -1.51 0.00 0.00 177.10 174.79 2k7j s THR 6 N -0.40 2.71 -0.05 1.60 2.01 -1.26 -4.99 115.64 115.26 2k7j s THR 6 Ca 0.20 -3.94 -0.29 0.00 0.31 0.00 0.00 61.69 57.97 2k7j s THR 6 Cb -0.18 -2.81 -0.07 0.00 0.01 0.00 0.00 72.50 69.45 2k7j s THR 6 CO -0.06 -0.95 2.03 -0.76 -0.69 0.00 0.00 174.62 174.19 2k7j s LEU 7 N -1.06 4.11 0.15 4.42 1.43 -1.26 -1.94 118.68 124.53 2k7j s LEU 7 Ca 0.23 2.40 0.01 0.00 -1.03 0.00 0.00 54.13 55.74 2k7j s LEU 7 Cb -0.11 -3.52 -0.04 0.00 0.03 0.00 0.00 46.19 42.55 2k7j s LEU 7 CO -0.12 -1.34 0.01 0.27 0.23 0.00 0.00 176.35 175.40 2k7j s ILE 8 N 5.67 0.50 -0.42 -0.59 -4.36 0.62 -0.71 121.20 121.91 2k7j s ILE 8 Ca 0.92 -1.95 0.02 0.00 -0.26 0.00 0.00 60.65 59.38 2k7j s ILE 8 Cb -0.39 -2.02 0.13 0.00 1.25 0.00 0.00 42.46 41.44 2k7j s ILE 8 CO 0.39 -0.55 0.23 -0.94 0.24 0.00 0.00 174.94 174.31 2k7j s SER 9 N -3.11 3.56 -0.13 4.36 1.04 0.65 -1.16 113.70 118.91 2k7j s SER 9 Ca 0.22 -2.51 -0.04 0.00 0.48 0.00 0.00 55.95 54.09 2k7j s SER 9 Cb 0.06 -0.93 -0.04 0.00 0.10 0.00 0.00 66.02 65.22 2k7j s SER 9 CO 0.02 -0.28 0.03 0.54 0.98 0.00 0.00 173.24 174.52 2k7j s VAL 10 N 0.52 4.50 0.14 5.02 0.11 -1.22 -3.07 120.40 126.41 2k7j s VAL 10 Ca 0.17 -0.16 0.08 0.00 -2.93 0.00 0.00 61.98 59.15 2k7j s VAL 10 Cb -0.24 -2.95 -0.04 0.00 -1.53 0.00 0.00 36.38 31.62 2k7j s VAL 10 CO -0.00 0.55 -0.19 1.51 -3.33 0.00 0.00 175.10 173.63 2k7j s ASP 11 N -0.32 2.58 0.18 3.54 -4.77 -1.25 -0.36 116.67 116.26 2k7j s ASP 11 Ca 0.07 -0.79 -0.24 0.00 -3.30 0.00 0.00 52.55 48.29 2k7j s ASP 11 Cb -0.12 -0.14 0.06 0.00 -1.09 0.00 0.00 42.92 41.63 2k7j s ASP 11 CO 0.02 -0.01 0.95 -0.72 0.70 0.00 0.00 175.17 176.11 2k7j s TYR 12 N -1.72 -0.09 -0.55 2.11 -0.85 -0.47 -3.45 117.35 112.33 2k7j s TYR 12 Ca 0.12 -0.26 0.04 0.00 -0.52 0.00 0.00 57.07 56.45 2k7j s TYR 12 Cb -0.07 0.66 0.14 0.00 0.38 0.00 0.00 41.96 43.07 2k7j s TYR 12 CO 0.05 -0.91 0.30 -1.83 -1.52 0.00 0.00 175.55 171.65 2k7j s GLU 13 N -3.13 2.03 0.43 -3.49 1.03 -1.26 -0.35 118.70 113.96 2k7j s GLU 13 Ca 0.14 -2.73 -0.24 0.00 0.03 0.00 0.00 54.97 52.17 2k7j s GLU 13 Cb -0.02 -3.28 -0.11 0.00 -0.80 0.00 0.00 34.13 29.92 2k7j s GLU 13 CO 0.04 -1.15 0.92 -0.89 -1.33 0.00 0.00 175.26 172.85 2k7j n ILE 14 N 2.91 2.39 -2.20 1.83 2.08 -0.81 -4.62 119.36 120.94 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 -1.03 0.00 0.00 -0.75 0.00 0.00 39.64 38.19 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 -0.62 -3.29 0.00 1.39 3.72 -1.14 -2.35 117.46 115.17 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 0.39 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.93 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 1.20 2.41 1.37 0.00 -1.26 -4.57 105.19 109.34 2k7j n GLY 16 Ca 0.00 -2.13 -0.34 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 3.20 -0.82 1.61 2.85 -1.02 -4.52 118.16 119.72 2k7j n LYS 17 Ca 0.00 -1.99 -0.05 0.00 -1.05 0.00 0.00 58.31 55.21 2k7j n LYS 17 Cb 0.00 -2.71 0.24 0.00 -0.65 0.00 0.00 35.03 31.91 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 3.82 2.41 0.00 0.58 0.24 -1.26 -4.25 118.33 119.88 2k7j n VAL 18 Ca 0.68 -1.27 0.00 0.00 -2.04 0.00 0.00 64.34 61.71 2k7j n VAL 18 Cb 0.21 -0.44 0.00 0.00 -1.47 0.00 0.00 33.84 32.13 2k7j n VAL 18 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2k7j n GLN 19 N -0.08 0.00 -3.23 7.34 6.02 -1.26 -4.41 117.38 121.76 2k7j n GLN 19 Ca 0.33 0.28 -0.45 0.00 -0.01 0.00 0.00 57.00 57.15 2k7j n GLN 19 Cb 1.18 -1.04 -0.00 0.00 1.02 0.00 0.00 30.24 31.40 2k7j n GLN 19 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 2k7j s GLY 20 N -1.02 2.99 -0.17 1.08 0.00 -1.26 -4.96 107.32 103.98 2k7j s GLY 20 Ca 0.00 -3.69 -0.26 0.00 0.00 0.00 0.00 44.72 40.76 2k7j s GLY 20 CO 0.00 1.53 0.67 0.54 0.00 0.00 0.00 173.10 175.84 2k7j s VAL 21 N -0.42 0.00 -0.69 1.40 0.11 -1.26 -4.96 120.40 114.58 2k7j s VAL 21 Ca 0.34 -0.02 0.03 0.00 -2.93 0.00 0.00 61.98 59.40 2k7j s VAL 21 Cb -0.08 -0.96 0.34 0.00 -1.53 0.00 0.00 36.38 34.15 2k7j s VAL 21 CO -0.06 -0.01 1.23 2.22 -3.33 0.00 0.00 175.10 175.15 2k7j n PHE 22 N 2.00 3.63 -0.41 1.54 -1.74 -1.26 -4.77 117.46 116.45 2k7j n PHE 22 Ca -0.16 -3.47 0.03 0.00 -0.56 0.00 0.00 57.45 53.29 2k7j n PHE 22 Cb 0.56 -0.65 0.29 0.00 1.52 0.00 0.00 39.48 41.20 2k7j n PHE 22 CO 0.00 0.00 0.00 1.97 -0.56 0.00 0.00 176.76 178.17 2k7j n PHE 23 N -0.24 1.59 0.21 2.97 -1.74 -1.26 -4.22 117.46 114.77 2k7j n PHE 23 Ca 0.37 -0.60 0.09 0.00 -0.56 0.00 0.00 57.45 56.75 2k7j n PHE 23 Cb 0.38 -0.43 0.38 0.00 1.52 0.00 0.00 39.48 41.33 2k7j n PHE 23 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2k7j h ARG 24 N 2.78 0.00 0.00 3.97 3.08 -1.95 -2.12 114.38 120.13 2k7j h ARG 24 Ca 0.03 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.99 2k7j h ARG 24 Cb 1.65 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.69 2k7j h ARG 24 CO 0.40 0.25 -0.44 -0.22 -1.07 0.00 0.00 179.97 178.89 2k7j h LYS 25 N 0.00 0.00 0.09 0.04 3.11 -1.99 -2.77 116.57 115.05 2k7j h LYS 25 Ca -0.00 0.00 -0.31 0.00 -2.81 0.00 0.00 60.65 57.52 2k7j h LYS 25 Cb 0.86 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 32.07 2k7j h LYS 25 CO 0.03 0.43 -1.66 1.25 -2.81 0.00 0.00 179.45 176.69 2k7j h HIS 26 N 0.00 0.36 -0.00 1.91 2.76 -1.81 -3.09 115.15 115.28 2k7j h HIS 26 Ca -0.01 -0.26 -0.14 0.00 -2.20 0.00 0.00 60.37 57.77 2k7j h HIS 26 Cb 1.33 -0.01 -0.02 0.00 1.55 0.00 0.00 27.41 30.26 2k7j h HIS 26 CO 0.00 1.39 -0.64 0.00 -1.30 0.00 0.00 177.93 177.38 2k7j h THR 27 N 0.05 1.46 0.00 6.26 1.03 -1.46 -2.73 112.91 117.52 2k7j h THR 27 Ca -0.29 -2.20 -0.20 0.00 -0.01 0.00 0.00 66.41 63.71 2k7j h THR 27 Cb 2.02 2.18 -0.03 0.00 -1.07 0.00 0.00 68.15 71.25 2k7j h THR 27 CO 0.13 0.63 -0.96 0.06 -0.01 0.00 0.00 175.52 175.36 2k7j h GLN 28 N 0.00 0.00 -0.25 0.00 -0.00 -1.62 -3.29 115.11 109.97 2k7j h GLN 28 Ca -0.01 -0.00 -0.18 0.00 -0.00 0.00 0.00 58.65 58.46 2k7j h GLN 28 Cb 1.14 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.62 2k7j h GLN 28 CO 0.08 0.96 -0.56 0.00 -0.00 0.00 0.00 178.83 179.32 2k7j h ALA 29 N 1.04 0.54 -0.74 0.06 0.00 -1.45 -3.18 119.26 115.52 2k7j h ALA 29 Ca -0.01 -0.52 0.06 0.00 0.00 0.00 0.00 54.91 54.44 2k7j h ALA 29 Cb 1.70 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 19.36 2k7j h ALA 29 CO 0.13 0.69 0.43 0.93 0.00 0.00 0.00 179.25 181.42 2k7j h GLU 30 N 0.58 0.76 -0.13 0.00 3.07 -1.55 -1.29 114.58 116.02 2k7j h GLU 30 Ca 0.01 -0.05 -0.02 0.00 -0.50 0.00 0.00 59.36 58.81 2k7j h GLU 30 Cb 1.15 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 28.88 2k7j h GLU 30 CO 0.12 0.50 0.00 0.78 -1.40 0.00 0.00 179.01 179.01 2k7j h GLY 31 N 0.78 0.20 2.00 -3.84 0.00 -1.62 -1.48 103.07 99.12 2k7j h GLY 31 Ca 0.33 -0.09 -0.06 0.00 0.00 0.00 0.00 47.33 47.51 2k7j h GLY 31 CO -0.18 0.09 -0.27 0.50 0.00 0.00 0.00 176.54 176.68 2k7j h LYS 32 N 0.19 0.00 -0.29 4.80 1.79 -1.24 0.21 116.57 122.03 2k7j h LYS 32 Ca 0.05 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.49 2k7j h LYS 32 Cb 0.13 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.77 2k7j h LYS 32 CO 0.00 0.27 0.06 -0.22 -1.08 0.00 0.00 179.45 178.48 2k7j h LYS 33 N 0.00 0.47 0.00 3.15 1.63 -1.08 -3.32 116.57 117.41 2k7j h LYS 33 Ca -0.00 -0.12 -0.09 0.00 -0.85 0.00 0.00 60.65 59.59 2k7j h LYS 33 Cb 0.63 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.18 2k7j h LYS 33 CO 0.03 0.56 -0.51 -0.07 -3.45 0.00 0.00 179.45 176.01 2k7j h LEU 34 N 0.29 0.00 0.00 5.20 4.07 -1.55 -3.49 115.31 119.83 2k7j h LEU 34 Ca 0.09 -0.68 0.00 0.00 0.08 0.00 0.00 57.88 57.37 2k7j h LEU 34 Cb 0.31 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.05 2k7j h LEU 34 CO 0.00 1.14 0.00 0.61 -1.08 0.00 0.00 178.44 179.11 2k7j n GLY 35 N 1.56 0.57 3.62 0.83 0.00 0.58 -5.10 105.19 107.24 2k7j n GLY 35 Ca -0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.61 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 3.08 0.00 0.99 1.43 -0.18 -4.87 118.68 119.12 2k7j s LEU 36 Ca 0.00 -0.74 0.02 0.00 -1.03 0.00 0.00 54.13 52.38 2k7j s LEU 36 Cb 0.00 -1.58 -0.01 0.00 0.03 0.00 0.00 46.19 44.63 2k7j s LEU 36 CO 0.00 -0.03 0.08 1.33 0.23 0.00 0.00 176.35 177.96 2k7j n VAL 37 N -0.87 0.00 0.00 -1.59 0.24 -0.74 -4.41 118.33 110.96 2k7j n VAL 37 Ca -0.06 -1.73 0.00 0.00 -2.04 0.00 0.00 64.34 60.51 2k7j n VAL 37 Cb 0.60 0.56 0.00 0.00 -1.47 0.00 0.00 33.84 33.52 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 0.19 0.44 3.47 7.63 0.00 -1.25 -1.87 105.19 113.81 2k7j n GLY 38 Ca -0.07 -1.28 -0.16 0.00 0.00 0.00 0.00 46.02 44.51 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 -4.00 -0.59 -0.17 1.61 -2.14 -1.26 -3.33 118.94 109.07 2k7j s TRP 39 Ca 0.00 0.85 -0.01 0.00 2.66 0.00 0.00 56.10 59.60 2k7j s TRP 39 Cb 0.00 0.43 0.04 0.00 -3.10 0.00 0.00 33.47 30.84 2k7j s TRP 39 CO 0.00 -0.66 -0.03 0.08 -2.66 0.00 0.00 176.95 173.68 2k7j s VAL 40 N -1.91 0.96 0.32 -0.66 1.01 -1.19 -3.33 120.40 115.60 2k7j s VAL 40 Ca -0.08 -0.58 0.01 0.00 0.00 0.00 0.00 61.98 61.34 2k7j s VAL 40 Cb -0.00 -1.20 0.01 0.00 0.00 0.00 0.00 36.38 35.19 2k7j s VAL 40 CO 0.03 0.07 0.11 0.00 0.00 0.00 0.00 175.10 175.31 2k7j n GLN 41 N 4.92 1.14 -3.79 2.72 10.64 -1.22 -0.16 117.38 131.63 2k7j n GLN 41 Ca -0.11 -2.16 -0.19 0.00 -1.83 0.00 0.00 57.00 52.70 2k7j n GLN 41 Cb 0.48 0.43 -0.17 0.00 -0.86 0.00 0.00 30.24 30.12 2k7j n GLN 41 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 2k7j s ASN 42 N -2.80 0.95 0.43 2.61 2.20 -1.26 -3.90 114.94 113.16 2k7j s ASN 42 Ca 0.08 0.00 -0.08 0.00 -0.94 0.00 0.00 52.86 51.92 2k7j s ASN 42 Cb -0.01 -0.24 -0.05 0.00 -2.00 0.00 0.00 41.25 38.95 2k7j s ASN 42 CO 0.05 -0.18 0.77 0.42 -2.94 0.00 0.00 177.10 175.22 2k7j s THR 43 N 1.67 4.84 0.19 0.54 -4.23 -0.59 -4.99 115.64 113.07 2k7j s THR 43 Ca -0.01 0.46 0.09 0.00 -1.18 0.00 0.00 61.69 61.05 2k7j s THR 43 Cb -0.13 -3.78 -0.10 0.00 1.34 0.00 0.00 72.50 69.84 2k7j s THR 43 CO -0.03 -0.63 1.47 -0.78 -0.54 0.00 0.00 174.62 174.10 2k7j h ASP 44 N 0.91 0.00 -0.42 3.99 3.58 -1.99 -3.26 116.42 119.23 2k7j h ASP 44 Ca -0.47 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 56.97 2k7j h ASP 44 Cb 1.19 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.22 2k7j h ASP 44 CO 0.63 0.77 0.21 0.03 -2.88 0.00 0.00 179.24 178.01 2k7j h ARG 45 N 0.00 0.60 0.00 0.28 2.47 -2.01 -3.47 114.38 112.25 2k7j h ARG 45 Ca -0.01 -0.08 0.00 0.00 -1.26 0.00 0.00 59.98 58.63 2k7j h ARG 45 Cb 1.39 -0.11 0.00 0.00 -1.65 0.00 0.00 29.97 29.60 2k7j h ARG 45 CO 0.10 0.51 0.00 0.41 0.56 0.00 0.00 179.97 181.55 2k7j n GLY 46 N -0.93 0.28 3.22 0.04 0.00 -1.23 -5.00 105.19 101.57 2k7j n GLY 46 Ca 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.30 0.03 -0.28 2.61 -4.23 -1.26 -4.35 115.64 107.86 2k7j s THR 47 Ca 0.00 -1.91 0.02 0.00 -1.18 0.00 0.00 61.69 58.62 2k7j s THR 47 Cb 0.00 -2.33 0.08 0.00 1.34 0.00 0.00 72.50 71.59 2k7j s THR 47 CO 0.00 -0.14 0.01 -0.69 -0.54 0.00 0.00 174.62 173.26 2k7j s VAL 48 N -4.11 1.65 -0.87 2.29 1.01 -0.99 -1.54 120.40 117.84 2k7j s VAL 48 Ca 0.33 -1.63 -0.25 0.00 0.00 0.00 0.00 61.98 60.43 2k7j s VAL 48 Cb 0.06 -2.07 0.03 0.00 0.00 0.00 0.00 36.38 34.40 2k7j s VAL 48 CO 0.09 -0.38 1.47 -1.10 0.00 0.00 0.00 175.10 175.18 2k7j s GLN 49 N 1.28 3.25 0.12 2.72 -0.21 -1.25 -1.92 119.66 123.64 2k7j s GLN 49 Ca 0.03 -0.55 0.08 0.00 0.02 0.00 0.00 55.36 54.93 2k7j s GLN 49 Cb -0.19 -4.80 -0.04 0.00 1.00 0.00 0.00 33.01 28.98 2k7j s GLN 49 CO -0.11 -2.35 -0.12 0.20 -2.12 0.00 0.00 175.29 170.78 2k7j s GLY 50 N 5.11 1.75 0.07 3.09 0.00 0.52 -3.45 107.32 114.41 2k7j s GLY 50 Ca 0.46 -1.32 0.08 0.00 0.00 0.00 0.00 44.72 43.94 2k7j s GLY 50 CO 0.03 -1.31 -0.22 1.25 0.00 0.00 0.00 173.10 172.85 2k7j s LYS 51 N -2.31 1.34 -0.54 2.90 2.20 -1.21 -1.36 119.74 120.76 2k7j s LYS 51 Ca 0.21 -1.07 0.01 0.00 -0.36 0.00 0.00 55.97 54.76 2k7j s LYS 51 Cb -0.10 -1.55 0.14 0.00 -1.51 0.00 0.00 37.83 34.80 2k7j s LYS 51 CO 0.13 0.38 0.30 -0.51 -0.36 0.00 0.00 175.35 175.29 2k7j s LEU 52 N -1.52 4.71 -0.19 5.43 1.43 0.51 -4.38 118.68 124.67 2k7j s LEU 52 Ca 0.08 -2.85 -0.19 0.00 -1.03 0.00 0.00 54.13 50.14 2k7j s LEU 52 Cb -0.09 -1.72 -0.03 0.00 0.03 0.00 0.00 46.19 44.37 2k7j s LEU 52 CO 0.03 -0.30 0.54 -1.10 0.23 0.00 0.00 176.35 175.75 2k7j s GLN 53 N -0.06 4.21 0.00 1.70 -0.21 -0.78 -3.37 119.66 121.15 2k7j s GLN 53 Ca 0.16 0.47 0.00 0.00 0.02 0.00 0.00 55.36 56.01 2k7j s GLN 53 Cb -0.23 -3.55 0.00 0.00 1.00 0.00 0.00 33.01 30.22 2k7j s GLN 53 CO -0.02 -0.14 0.00 0.41 -2.12 0.00 0.00 175.29 173.42 2k7j n GLY 54 N 3.81 0.24 3.77 3.09 0.00 -0.31 -1.79 105.19 113.99 2k7j n GLY 54 Ca -0.04 -1.69 -0.40 0.00 0.00 0.00 0.00 46.02 43.88 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 4.41 0.50 1.61 0.04 -1.26 -0.28 135.00 138.02 2k7j s PRO 55 Ca 0.00 2.04 0.15 0.00 0.04 0.00 0.00 61.00 63.23 2k7j s PRO 55 Cb 0.00 -3.06 1.18 0.00 0.04 0.00 0.00 34.50 32.66 2k7j s PRO 55 CO 0.00 -0.07 2.10 0.82 0.04 0.00 0.00 177.00 179.89 2k7j h ILE 56 N 2.97 1.04 -0.57 0.56 2.04 -1.70 -1.21 117.51 120.64 2k7j h ILE 56 Ca -0.48 -0.20 0.17 0.00 1.00 0.00 0.00 64.86 65.35 2k7j h ILE 56 Cb 1.22 1.11 -0.02 0.00 -0.74 0.00 0.00 36.82 38.39 2k7j h ILE 56 CO 0.66 0.06 0.46 -1.28 0.00 0.00 0.00 178.15 178.04 2k7j h SER 57 N 0.00 0.00 0.00 1.72 0.87 -1.87 -0.68 113.55 113.59 2k7j h SER 57 Ca -0.00 0.00 -0.32 0.00 -1.23 0.00 0.00 61.79 60.24 2k7j h SER 57 Cb 0.10 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.00 2k7j h SER 57 CO 0.01 0.00 -2.23 0.29 -0.53 0.00 0.00 176.83 174.37 2k7j n LYS 58 N -4.15 0.63 -0.05 2.24 4.01 -0.69 -4.44 118.16 115.72 2k7j n LYS 58 Ca 0.11 0.11 0.17 0.00 -0.51 0.00 0.00 58.31 58.18 2k7j n LYS 58 Cb 0.69 -1.43 0.60 0.00 -0.51 0.00 0.00 35.03 34.37 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 0.80 0.00 -0.18 2.07 -0.75 0.20 116.25 118.38 2k7j h VAL 59 Ca -0.48 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 66.96 2k7j h VAL 59 Cb 1.79 0.59 -0.00 0.00 -1.52 0.00 0.00 31.29 32.15 2k7j h VAL 59 CO -0.06 0.03 -0.08 0.03 0.02 0.00 0.00 177.57 177.51 2k7j h ARG 60 N 0.19 0.00 0.06 1.57 2.47 -1.35 -0.47 114.38 116.84 2k7j h ARG 60 Ca 0.28 0.00 -0.29 0.00 -1.26 0.00 0.00 59.98 58.70 2k7j h ARG 60 Cb 0.83 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.12 2k7j h ARG 60 CO -0.05 0.08 -1.57 0.93 0.56 0.00 0.00 179.97 179.92 2k7j h GLU 61 N 0.00 0.12 -0.14 0.04 5.08 -0.85 -3.35 114.58 115.47 2k7j h GLU 61 Ca -0.00 -0.20 -0.18 0.00 -1.00 0.00 0.00 59.36 57.98 2k7j h GLU 61 Cb 0.25 0.07 0.01 0.00 0.50 0.00 0.00 28.75 29.58 2k7j h GLU 61 CO 0.01 0.87 -0.61 1.98 -1.00 0.00 0.00 179.01 180.26 2k7j h MET 62 N 0.03 0.67 -0.58 2.33 4.05 -1.06 -2.88 114.93 117.48 2k7j h MET 62 Ca -0.24 -0.53 0.17 0.00 -0.28 0.00 0.00 59.70 58.82 2k7j h MET 62 Cb 1.98 0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 32.86 2k7j h MET 62 CO 0.12 1.15 0.46 -0.56 0.23 0.00 0.00 176.91 178.31 2k7j h GLN 63 N 0.35 0.00 0.00 0.39 3.07 -1.25 0.26 115.11 117.93 2k7j h GLN 63 Ca -0.04 0.00 -0.21 0.00 0.09 0.00 0.00 58.65 58.50 2k7j h GLN 63 Cb 1.25 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.77 2k7j h GLN 63 CO 0.13 0.00 -1.23 0.87 0.09 0.00 0.00 178.83 178.69 2k7j h LYS 64 N 0.00 0.00 0.00 0.06 6.56 -1.67 -2.95 116.57 118.57 2k7j h LYS 64 Ca 0.28 0.00 -0.06 0.00 -1.06 0.00 0.00 60.65 59.80 2k7j h LYS 64 Cb 1.20 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.85 2k7j h LYS 64 CO -0.00 0.60 -0.30 -1.49 -2.06 0.00 0.00 179.45 176.20 2k7j h TRP 65 N 0.00 0.00 -0.32 -1.35 4.06 -0.30 -2.05 115.95 115.99 2k7j h TRP 65 Ca -0.13 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.82 2k7j h TRP 65 Cb 1.74 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.90 2k7j h TRP 65 CO 0.00 0.30 0.00 1.28 -3.56 0.00 0.00 178.44 176.46 2k7j n LEU 66 N -3.47 3.53 -0.02 -4.49 4.77 -0.64 -3.32 117.00 113.36 2k7j n LEU 66 Ca -0.00 -2.54 -0.04 0.00 -0.03 0.00 0.00 56.01 53.40 2k7j n LEU 66 Cb 0.47 -0.41 -0.01 0.00 -2.33 0.00 0.00 43.42 41.14 2k7j n LEU 66 CO 0.35 0.71 -0.63 1.21 -1.33 0.00 0.00 177.39 177.69 2k7j n GLU 67 N 0.04 0.08 -0.05 3.23 2.13 -1.10 -4.87 120.64 120.11 2k7j n GLU 67 Ca 0.17 0.04 -0.06 0.00 0.66 0.00 0.00 57.16 57.96 2k7j n GLU 67 Cb 0.69 -0.67 -0.06 0.00 0.27 0.00 0.00 31.44 31.66 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 -3.13 0.65 -2.82 6.31 5.66 -0.79 -4.73 114.28 115.43 2k7j n THR 68 Ca -0.08 -0.32 -0.22 0.00 -3.05 0.00 0.00 64.05 60.39 2k7j n THR 68 Cb 0.56 -0.84 0.09 0.00 -1.55 0.00 0.00 70.33 68.59 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 -2.23 1.93 0.00 1.09 1.81 -1.12 -4.94 118.95 115.50 2k7j s ARG 69 Ca -0.10 -1.42 0.00 0.00 -1.72 0.00 0.00 55.73 52.48 2k7j s ARG 69 Cb 0.03 -2.48 0.00 0.00 -0.45 0.00 0.00 34.95 32.05 2k7j s ARG 69 CO 0.32 -1.21 0.00 0.41 -0.68 0.00 0.00 175.30 174.14 2k7j n GLY 70 N -2.57 -1.41 3.80 -3.53 0.00 -1.21 -4.24 105.19 96.03 2k7j n GLY 70 Ca 0.16 -1.51 -0.31 0.00 0.00 0.00 0.00 46.02 44.36 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 -0.94 4.89 0.30 1.61 0.01 -1.26 -4.97 113.70 113.35 2k7j s SER 71 Ca 0.00 1.54 0.09 0.00 1.31 0.00 0.00 55.95 58.90 2k7j s SER 71 Cb 0.00 -2.34 0.48 0.00 0.21 0.00 0.00 66.02 64.37 2k7j s SER 71 CO 0.00 -1.75 1.70 1.55 0.41 0.00 0.00 173.24 175.15 2k7j h PRO 72 N -0.93 0.10 0.00 12.44 0.13 -2.03 -3.34 132.00 138.37 2k7j h PRO 72 Ca -0.45 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2k7j h PRO 72 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2k7j h PRO 72 CO 0.57 0.56 0.00 0.39 -0.23 0.00 0.00 178.00 179.29 2k7j n GLU 73 N -3.97 0.00 -1.46 0.86 4.71 -1.26 -4.81 120.64 114.72 2k7j n GLU 73 Ca -0.02 0.37 -0.29 0.00 -0.01 0.00 0.00 57.16 57.21 2k7j n GLU 73 Cb 0.51 -1.35 0.17 0.00 -1.01 0.00 0.00 31.44 29.76 2k7j n GLU 73 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 2k7j s SER 74 N -2.02 2.88 -0.13 1.62 1.04 -1.25 -5.07 113.70 110.76 2k7j s SER 74 Ca 0.00 0.85 -0.04 0.00 0.48 0.00 0.00 55.95 57.23 2k7j s SER 74 Cb 0.00 -1.31 0.07 0.00 0.10 0.00 0.00 66.02 64.88 2k7j s SER 74 CO 0.00 -2.93 0.22 -2.28 0.98 0.00 0.00 173.24 169.23 2k7j s HIS 75 N -3.26 -0.32 -0.86 5.02 2.46 -1.26 -4.67 115.29 112.39 2k7j s HIS 75 Ca 0.66 0.70 -0.20 0.00 0.47 0.00 0.00 55.06 56.70 2k7j s HIS 75 Cb -0.13 -0.17 0.11 0.00 -0.13 0.00 0.00 32.58 32.26 2k7j s HIS 75 CO 0.54 -0.38 1.09 0.42 -2.47 0.00 0.00 174.74 173.94 2k7j s ILE 76 N 2.36 4.61 0.08 0.89 1.01 -1.26 -2.43 121.20 126.45 2k7j s ILE 76 Ca 0.03 -1.26 0.17 0.00 0.00 0.00 0.00 60.65 59.60 2k7j s ILE 76 Cb -0.13 -4.76 0.10 0.00 0.01 0.00 0.00 42.46 37.68 2k7j s ILE 76 CO -0.08 -1.50 1.64 -0.78 0.00 0.00 0.00 174.94 174.21 2k7j h ASP 77 N 9.05 0.00 -4.12 3.58 3.58 -1.88 -3.45 116.42 123.18 2k7j h ASP 77 Ca 0.05 0.00 0.06 0.00 0.42 0.00 0.00 57.03 57.55 2k7j h ASP 77 Cb 1.04 0.00 -0.23 0.00 1.72 0.00 0.00 39.33 41.86 2k7j h ASP 77 CO 1.14 0.43 0.49 -1.59 -2.88 0.00 0.00 179.24 176.83 2k7j s LYS 78 N -3.39 0.64 0.19 0.28 -2.85 -1.26 -5.05 119.74 108.31 2k7j s LYS 78 Ca 0.01 0.22 -0.03 0.00 -1.00 0.00 0.00 55.97 55.18 2k7j s LYS 78 Cb 0.10 0.30 -0.03 0.00 -2.06 0.00 0.00 37.83 36.14 2k7j s LYS 78 CO 0.71 -0.19 0.17 0.00 0.10 0.00 0.00 175.35 176.14 2k7j s ALA 79 N -0.94 0.91 -0.29 0.59 0.00 -1.26 -2.86 121.76 117.90 2k7j s ALA 79 Ca -0.02 -1.54 -0.25 0.00 0.00 0.00 0.00 51.96 50.15 2k7j s ALA 79 Cb -0.01 1.26 0.17 0.00 0.00 0.00 0.00 23.12 24.54 2k7j s ALA 79 CO 0.02 -0.61 1.32 1.21 0.00 0.00 0.00 175.76 177.70 2k7j s ASN 80 N -3.12 -0.16 0.75 0.00 2.47 -1.26 -5.00 114.94 108.62 2k7j s ASN 80 Ca 0.34 0.30 -0.08 0.00 0.42 0.00 0.00 52.86 53.85 2k7j s ASN 80 Cb 0.06 0.30 0.09 0.00 -1.45 0.00 0.00 41.25 40.25 2k7j s ASN 80 CO 0.10 -0.06 1.07 0.72 -3.72 0.00 0.00 177.10 175.21 2k7j s PHE 81 N -0.01 2.59 -0.01 0.43 -0.12 -1.26 -4.47 117.98 115.14 2k7j s PHE 81 Ca 0.06 0.37 -0.03 0.00 -0.05 0.00 0.00 56.93 57.28 2k7j s PHE 81 Cb -0.05 -3.33 -0.01 0.00 -0.63 0.00 0.00 43.02 39.00 2k7j s PHE 81 CO -0.12 -1.64 -0.07 1.63 -0.05 0.00 0.00 175.22 174.96 2k7j n LYS 82 N -3.06 0.10 -3.63 1.99 4.76 -1.22 -5.02 118.16 112.08 2k7j n LYS 82 Ca 0.10 0.04 -0.04 0.00 -2.87 0.00 0.00 58.31 55.54 2k7j n LYS 82 Cb 0.60 -0.52 -0.06 0.00 -1.84 0.00 0.00 35.03 33.22 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 -5.25 -0.97 -0.15 4.39 0.01 -1.26 -5.09 114.94 106.63 2k7j s ASN 83 Ca -0.05 1.44 -0.11 0.00 -0.71 0.00 0.00 52.86 53.42 2k7j s ASN 83 Cb 0.01 1.77 -0.05 0.00 0.41 0.00 0.00 41.25 43.39 2k7j s ASN 83 CO 0.08 -0.21 0.21 -1.83 -1.51 0.00 0.00 177.10 173.84 2k7j s GLU 84 N 2.19 4.00 -0.05 -0.60 1.03 -1.26 -3.92 118.70 120.09 2k7j s GLU 84 Ca -0.08 -0.03 0.01 0.00 0.03 0.00 0.00 54.97 54.91 2k7j s GLU 84 Cb -0.08 -3.34 -0.03 0.00 -0.80 0.00 0.00 34.13 29.88 2k7j s GLU 84 CO -0.19 0.44 -0.07 0.21 -1.33 0.00 0.00 175.26 174.32 2k7j s LYS 85 N -0.10 2.71 -0.28 -4.83 2.20 -1.17 -4.94 119.74 113.32 2k7j s LYS 85 Ca 0.14 -0.59 -0.16 0.00 -0.36 0.00 0.00 55.97 55.01 2k7j s LYS 85 Cb -0.12 -2.57 -0.03 0.00 -1.51 0.00 0.00 37.83 33.59 2k7j s LYS 85 CO 0.03 0.65 0.40 0.08 -0.36 0.00 0.00 175.35 176.16 2k7j s VAL 86 N -0.86 5.14 0.27 4.02 1.01 -1.26 -0.25 120.40 128.48 2k7j s VAL 86 Ca 0.14 0.54 0.08 0.00 0.00 0.00 0.00 61.98 62.74 2k7j s VAL 86 Cb -0.11 -3.75 -0.05 0.00 0.00 0.00 0.00 36.38 32.46 2k7j s VAL 86 CO 0.03 0.09 -0.11 0.27 0.00 0.00 0.00 175.10 175.38 2k7j s ILE 87 N 2.13 1.95 -0.11 2.22 -4.36 0.11 -4.99 121.20 118.15 2k7j s ILE 87 Ca 0.16 -2.22 0.16 0.00 -0.26 0.00 0.00 60.65 58.49 2k7j s ILE 87 Cb -0.16 -2.37 -0.13 0.00 1.25 0.00 0.00 42.46 41.05 2k7j s ILE 87 CO 0.10 -0.37 0.86 -0.07 0.24 0.00 0.00 174.94 175.70 2k7j h LEU 88 N 2.29 0.00 -7.57 0.37 3.38 -1.98 -3.37 115.31 108.43 2k7j h LEU 88 Ca -0.40 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.50 2k7j h LEU 88 Cb 1.24 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.85 2k7j h LEU 88 CO 0.65 0.62 -0.21 -1.59 0.09 0.00 0.00 178.44 178.00 2k7j s LYS 89 N -2.89 0.94 0.13 1.13 -2.85 -1.26 -4.92 119.74 110.02 2k7j s LYS 89 Ca -0.03 -0.76 -0.06 0.00 -1.00 0.00 0.00 55.97 54.12 2k7j s LYS 89 Cb 0.09 0.40 -0.06 0.00 -2.06 0.00 0.00 37.83 36.20 2k7j s LYS 89 CO 0.81 -0.34 0.39 -0.51 0.10 0.00 0.00 175.35 175.81 2k7j s LEU 90 N -2.70 4.28 0.14 2.77 1.43 -1.26 -5.00 118.68 118.33 2k7j s LEU 90 Ca 0.02 0.66 0.15 0.00 -1.03 0.00 0.00 54.13 53.93 2k7j s LEU 90 Cb 0.03 -3.25 -0.08 0.00 0.03 0.00 0.00 46.19 42.91 2k7j s LEU 90 CO -0.10 0.07 1.08 0.44 0.23 0.00 0.00 176.35 178.08 2k7j h ASP 91 N 3.03 0.00 -2.48 2.29 5.19 -2.02 -3.46 116.42 118.97 2k7j h ASP 91 Ca -0.47 0.00 -0.48 0.00 -0.62 0.00 0.00 57.03 55.46 2k7j h ASP 91 Cb 1.17 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.67 2k7j h ASP 91 CO 0.71 0.63 -0.36 -0.31 -3.12 0.00 0.00 179.24 176.79 2k7j s TYR 92 N -2.89 3.47 -0.06 4.55 2.02 -1.26 -5.03 117.35 118.16 2k7j s TYR 92 Ca -0.00 0.14 0.08 0.00 -0.37 0.00 0.00 57.07 56.91 2k7j s TYR 92 Cb 0.08 -1.70 -0.11 0.00 -0.40 0.00 0.00 41.96 39.83 2k7j s TYR 92 CO 0.79 0.36 0.08 0.43 -1.57 0.00 0.00 175.55 175.63 2k7j n SER 93 N -1.30 3.02 -3.81 2.29 7.64 -1.26 -4.97 113.62 115.22 2k7j n SER 93 Ca -0.07 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.66 2k7j n SER 93 Cb 0.56 0.90 -0.09 0.00 -1.01 0.00 0.00 64.21 64.57 2k7j n SER 93 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2k7j s ASP 94 N -3.70 0.84 -0.30 6.43 1.11 -1.26 -4.93 116.67 114.86 2k7j s ASP 94 Ca -0.04 -1.56 -0.10 0.00 0.18 0.00 0.00 52.55 51.03 2k7j s ASP 94 Cb 0.03 0.46 -0.02 0.00 1.07 0.00 0.00 42.92 44.46 2k7j s ASP 94 CO 0.34 -0.94 0.17 0.12 1.18 0.00 0.00 175.17 176.04 2k7j s PHE 95 N -3.83 3.19 0.34 4.23 2.19 -1.26 -3.82 117.98 119.02 2k7j s PHE 95 Ca 0.40 -0.29 0.08 0.00 0.33 0.00 0.00 56.93 57.45 2k7j s PHE 95 Cb 0.05 -2.38 -0.04 0.00 -1.31 0.00 0.00 43.02 39.34 2k7j s PHE 95 CO 0.19 -0.35 0.15 -1.14 1.83 0.00 0.00 175.22 175.91 2k7j s GLN 96 N 1.68 2.38 -0.01 10.12 2.00 -1.21 -4.96 119.66 129.66 2k7j s GLN 96 Ca 0.06 -1.55 0.00 0.00 -2.00 0.00 0.00 55.36 51.87 2k7j s GLN 96 Cb -0.17 -2.18 -0.04 0.00 0.80 0.00 0.00 33.01 31.42 2k7j s GLN 96 CO 0.08 0.10 0.04 0.42 -0.50 0.00 0.00 175.29 175.42 2k7j s ILE 97 N -2.43 4.42 -0.24 -2.34 1.01 -1.26 -3.19 121.20 117.17 2k7j s ILE 97 Ca 0.38 -0.48 -0.10 0.00 0.00 0.00 0.00 60.65 60.45 2k7j s ILE 97 Cb -0.02 -2.98 -0.05 0.00 0.01 0.00 0.00 42.46 39.42 2k7j s ILE 97 CO 0.23 0.39 0.14 -0.69 0.00 0.00 0.00 174.94 175.01 2k7j s VAL 98 N -1.11 5.11 -2.00 2.92 1.01 0.77 -4.86 120.40 122.25 2k7j s VAL 98 Ca 0.20 0.10 0.24 0.00 0.00 0.00 0.00 61.98 62.52 2k7j s VAL 98 Cb -0.12 -3.39 0.70 0.00 0.00 0.00 0.00 36.38 33.57 2k7j s VAL 98 CO 0.11 0.33 1.82 2.29 0.00 0.00 0.00 175.10 179.66