#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k7j n ALA 2 N 0.00 4.78 -2.53 4.61 0.00 -1.26 -4.97 120.51 121.14 2k7j n ALA 2 Ca 0.00 -3.01 -0.24 0.00 0.00 0.00 0.00 53.44 50.19 2k7j n ALA 2 Cb 0.00 -1.02 -0.12 0.00 0.00 0.00 0.00 19.45 18.31 2k7j n ALA 2 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2k7j s GLU 3 N -3.25 1.14 0.00 0.00 -1.05 -1.26 -5.11 118.70 109.17 2k7j s GLU 3 Ca 0.50 -1.18 0.00 0.00 -0.15 0.00 0.00 54.97 54.13 2k7j s GLU 3 Cb 0.43 -1.41 0.00 0.00 -0.44 0.00 0.00 34.13 32.71 2k7j s GLU 3 CO 0.05 0.33 0.00 0.41 0.95 0.00 0.00 175.26 176.99 2k7j n GLY 4 N 1.04 3.16 3.59 -3.83 0.00 -1.26 -4.97 105.19 102.92 2k7j n GLY 4 Ca -0.19 -0.02 -0.21 0.00 0.00 0.00 0.00 46.02 45.59 2k7j n GLY 4 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2k7j n ASN 5 N 0.00 -2.84 -3.99 1.61 2.85 -1.26 -4.95 115.26 106.68 2k7j n ASN 5 Ca 0.00 -0.81 -0.32 0.00 -0.11 0.00 0.00 54.58 53.34 2k7j n ASN 5 Cb 0.00 -4.28 -0.09 0.00 1.24 0.00 0.00 39.78 36.66 2k7j n ASN 5 CO 0.00 0.00 0.00 0.41 -2.11 0.00 0.00 177.26 175.56 2k7j n THR 6 N -4.06 2.47 -1.68 -0.44 -1.04 -1.26 -4.98 114.28 103.28 2k7j n THR 6 Ca -0.23 -5.04 -0.42 0.00 -2.04 0.00 0.00 64.05 56.32 2k7j n THR 6 Cb 0.65 -2.28 -0.03 0.00 -1.82 0.00 0.00 70.33 66.85 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 -1.50 4.37 0.00 -4.42 1.43 -1.26 -2.18 118.68 115.12 2k7j s LEU 7 Ca 0.27 2.61 0.05 0.00 -1.03 0.00 0.00 54.13 56.03 2k7j s LEU 7 Cb -0.05 -3.53 -0.02 0.00 0.03 0.00 0.00 46.19 42.63 2k7j s LEU 7 CO -0.14 -1.11 0.18 2.30 0.23 0.00 0.00 176.35 177.82 2k7j n ILE 8 N 5.69 0.00 -3.47 -0.59 -5.35 0.79 -0.72 119.36 115.71 2k7j n ILE 8 Ca 0.20 -2.03 -0.14 0.00 -0.27 0.00 0.00 62.75 60.51 2k7j n ILE 8 Cb 0.41 0.87 -0.11 0.00 -1.74 0.00 0.00 39.64 39.07 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 -3.04 0.76 -0.08 7.28 0.15 -0.17 -1.22 113.70 117.38 2k7j s SER 9 Ca 0.25 0.10 0.02 0.00 0.70 0.00 0.00 55.95 57.03 2k7j s SER 9 Cb 0.01 0.73 0.01 0.00 -1.71 0.00 0.00 66.02 65.06 2k7j s SER 9 CO 0.18 -0.30 -0.15 0.54 1.20 0.00 0.00 173.24 174.71 2k7j s VAL 10 N 2.43 1.37 -0.21 4.45 0.11 -1.26 -1.02 120.40 126.27 2k7j s VAL 10 Ca 0.08 -0.60 0.02 0.00 -2.93 0.00 0.00 61.98 58.54 2k7j s VAL 10 Cb -0.15 -1.24 0.04 0.00 -1.53 0.00 0.00 36.38 33.50 2k7j s VAL 10 CO -0.13 0.41 -0.14 1.51 -3.33 0.00 0.00 175.10 173.42 2k7j s ASP 11 N 0.71 3.61 0.27 3.54 -4.77 -1.26 -2.63 116.67 116.15 2k7j s ASP 11 Ca -0.13 -0.96 0.03 0.00 -3.30 0.00 0.00 52.55 48.19 2k7j s ASP 11 Cb -0.16 -1.41 -0.06 0.00 -1.09 0.00 0.00 42.92 40.21 2k7j s ASP 11 CO 0.03 -0.11 0.04 -0.72 0.70 0.00 0.00 175.17 175.11 2k7j s TYR 12 N 1.27 1.70 -0.60 2.11 -0.85 -0.85 -4.34 117.35 115.80 2k7j s TYR 12 Ca -0.01 -1.00 0.02 0.00 -0.52 0.00 0.00 57.07 55.55 2k7j s TYR 12 Cb -0.16 -1.04 0.15 0.00 0.38 0.00 0.00 41.96 41.29 2k7j s TYR 12 CO -0.09 -0.10 0.37 -1.83 -1.52 0.00 0.00 175.55 172.38 2k7j s GLU 13 N -3.92 2.29 0.42 -3.49 -1.05 -1.26 -0.26 118.70 111.43 2k7j s GLU 13 Ca 0.34 -2.72 -0.24 0.00 -0.15 0.00 0.00 54.97 52.20 2k7j s GLU 13 Cb 0.07 -3.50 -0.11 0.00 -0.44 0.00 0.00 34.13 30.16 2k7j s GLU 13 CO 0.12 -1.16 0.94 -0.89 0.95 0.00 0.00 175.26 175.23 2k7j n ILE 14 N 3.04 2.38 -2.53 1.83 2.08 -1.12 -4.59 119.36 120.45 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 0.34 -1.06 0.00 0.00 -0.75 0.00 0.00 39.64 38.18 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 -0.55 -3.23 0.00 1.39 3.72 -1.08 -2.01 117.46 115.71 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 0.91 2.53 1.37 0.00 -1.26 -4.48 105.19 109.27 2k7j n GLY 16 Ca 0.00 -2.14 -0.41 0.00 0.00 0.00 0.00 46.02 43.47 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 0.09 3.46 -1.60 1.61 2.85 0.15 -4.64 118.16 120.08 2k7j n LYS 17 Ca 0.00 -2.58 -0.32 0.00 -1.05 0.00 0.00 58.31 54.35 2k7j n LYS 17 Cb 0.00 -2.98 0.06 0.00 -0.65 0.00 0.00 35.03 31.46 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 3.96 3.31 0.00 0.58 0.24 -1.26 -3.96 118.33 121.19 2k7j n VAL 18 Ca 0.64 -3.46 0.00 0.00 -2.04 0.00 0.00 64.34 59.48 2k7j n VAL 18 Cb 0.30 -1.17 0.00 0.00 -1.47 0.00 0.00 33.84 31.51 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 -0.82 0.00 -3.05 7.34 6.02 -1.26 -4.69 117.38 120.93 2k7j n GLN 19 Ca 0.56 0.21 -0.44 0.00 -0.01 0.00 0.00 57.00 57.32 2k7j n GLN 19 Cb 0.70 -0.65 0.00 0.00 1.02 0.00 0.00 30.24 31.32 2k7j n GLN 19 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2k7j n GLY 20 N 1.98 4.23 3.64 1.08 0.00 -1.26 -4.92 105.19 109.94 2k7j n GLY 20 Ca 0.00 -2.38 -0.05 0.00 0.00 0.00 0.00 46.02 43.59 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 -0.59 -0.05 -1.14 1.61 0.11 -1.26 -5.01 120.40 114.07 2k7j s VAL 21 Ca 0.35 0.00 -0.12 0.00 -2.93 0.00 0.00 61.98 59.28 2k7j s VAL 21 Cb -0.03 -1.00 0.21 0.00 -1.53 0.00 0.00 36.38 34.03 2k7j s VAL 21 CO -0.01 0.00 1.27 -0.36 -3.33 0.00 0.00 175.10 172.67 2k7j s PHE 22 N 1.59 3.78 -0.23 1.54 0.08 -1.26 -4.74 117.98 118.74 2k7j s PHE 22 Ca -0.09 -2.30 0.12 0.00 0.12 0.00 0.00 56.93 54.78 2k7j s PHE 22 Cb -0.05 -4.12 0.46 0.00 -0.57 0.00 0.00 43.02 38.75 2k7j s PHE 22 CO -0.18 -1.22 1.36 1.97 -0.10 0.00 0.00 175.22 177.05 2k7j n PHE 23 N 4.54 0.69 0.10 0.36 -1.74 -1.26 -4.62 117.46 115.53 2k7j n PHE 23 Ca 0.30 -1.35 -0.16 0.00 -0.56 0.00 0.00 57.45 55.68 2k7j n PHE 23 Cb 0.42 -0.36 -0.14 0.00 1.52 0.00 0.00 39.48 40.92 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 1.01 0.29 0.00 3.97 3.08 -1.97 -3.26 114.38 117.49 2k7j h ARG 24 Ca 0.10 -0.49 -0.02 0.00 0.07 0.00 0.00 59.98 59.65 2k7j h ARG 24 Cb 1.39 0.18 -0.00 0.00 0.08 0.00 0.00 29.97 31.62 2k7j h ARG 24 CO 0.22 1.23 -0.08 -0.22 -1.07 0.00 0.00 179.97 180.05 2k7j h LYS 25 N 0.08 0.00 -0.83 0.04 1.63 -2.00 -1.04 116.57 114.44 2k7j h LYS 25 Ca -0.15 0.00 -0.27 0.00 -0.85 0.00 0.00 60.65 59.38 2k7j h LYS 25 Cb 1.99 0.00 -0.16 0.00 -0.60 0.00 0.00 32.23 33.45 2k7j h LYS 25 CO 0.21 0.08 0.35 0.72 -3.45 0.00 0.00 179.45 177.36 2k7j n HIS 26 N -4.28 2.46 0.00 1.91 8.25 -1.23 -3.91 115.22 118.42 2k7j n HIS 26 Ca -0.03 -1.29 0.00 0.00 -0.26 0.00 0.00 57.72 56.15 2k7j n HIS 26 Cb 0.16 -0.72 0.00 0.00 1.12 0.00 0.00 29.99 30.55 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 -0.34 0.00 0.05 1.59 -1.04 -0.41 -4.72 114.28 109.42 2k7j n THR 27 Ca 0.43 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 62.32 2k7j n THR 27 Cb 1.40 -0.64 -0.13 0.00 -1.82 0.00 0.00 70.33 69.13 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 0.11 0.23 -2.82 -0.00 -1.68 -3.32 115.11 107.63 2k7j h GLN 28 Ca 0.00 -0.19 0.01 0.00 -0.00 0.00 0.00 58.65 58.47 2k7j h GLN 28 Cb 0.85 0.07 -0.03 0.00 -0.00 0.00 0.00 27.48 28.37 2k7j h GLN 28 CO 0.00 0.97 -0.29 0.00 -0.00 0.00 0.00 178.83 179.51 2k7j h ALA 29 N 0.79 -0.57 -0.71 0.06 0.00 -1.85 -2.34 119.26 114.64 2k7j h ALA 29 Ca -0.15 -0.08 0.13 0.00 0.00 0.00 0.00 54.91 54.82 2k7j h ALA 29 Cb 1.91 0.45 -0.09 0.00 0.00 0.00 0.00 17.79 20.06 2k7j h ALA 29 CO 0.14 -0.86 0.27 0.93 0.00 0.00 0.00 179.25 179.72 2k7j h GLU 30 N -0.58 0.41 -0.21 0.00 3.07 -1.85 0.11 114.58 115.53 2k7j h GLU 30 Ca 0.00 -0.02 0.06 0.00 -0.50 0.00 0.00 59.36 58.90 2k7j h GLU 30 Cb 0.56 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.37 2k7j h GLU 30 CO -0.10 0.27 0.15 0.78 -1.40 0.00 0.00 179.01 178.71 2k7j h GLY 31 N 0.42 0.03 2.00 -3.84 0.00 -1.55 -0.24 103.07 99.89 2k7j h GLY 31 Ca 0.38 -0.01 -0.15 0.00 0.00 0.00 0.00 47.33 47.55 2k7j h GLY 31 CO -0.38 0.01 -0.73 0.50 0.00 0.00 0.00 176.54 175.93 2k7j h LYS 32 N 0.02 0.00 0.00 4.80 1.79 -0.29 0.30 116.57 123.20 2k7j h LYS 32 Ca 0.10 0.00 -0.16 0.00 -2.18 0.00 0.00 60.65 58.41 2k7j h LYS 32 Cb 0.38 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.00 2k7j h LYS 32 CO -0.00 0.73 -0.80 -0.22 -1.08 0.00 0.00 179.45 178.09 2k7j h LYS 33 N 0.00 0.00 0.11 3.15 3.64 -0.55 -3.33 116.57 119.60 2k7j h LYS 33 Ca -0.01 0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 59.02 2k7j h LYS 33 Cb 1.41 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.21 2k7j h LYS 33 CO 0.10 0.75 -1.91 -0.07 -2.27 0.00 0.00 179.45 176.05 2k7j h LEU 34 N 0.00 0.36 0.00 5.20 3.38 -1.15 -3.49 115.31 119.61 2k7j h LEU 34 Ca -0.02 -0.77 0.00 0.00 0.09 0.00 0.00 57.88 57.18 2k7j h LEU 34 Cb 1.60 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.23 2k7j h LEU 34 CO 0.10 1.69 0.00 0.61 0.09 0.00 0.00 178.44 180.93 2k7j n GLY 35 N 1.89 1.85 3.79 0.83 0.00 0.19 -4.97 105.19 108.77 2k7j n GLY 35 Ca -0.28 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.51 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 3.70 0.44 0.99 1.43 0.83 -4.75 118.68 121.32 2k7j s LEU 36 Ca 0.00 -0.31 0.04 0.00 -1.03 0.00 0.00 54.13 52.83 2k7j s LEU 36 Cb 0.00 -2.24 -0.01 0.00 0.03 0.00 0.00 46.19 43.96 2k7j s LEU 36 CO 0.00 -0.02 0.14 0.68 0.23 0.00 0.00 176.35 177.38 2k7j s VAL 37 N -2.11 0.54 0.00 -1.59 -7.23 0.00 -4.04 120.40 105.97 2k7j s VAL 37 Ca 0.32 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.49 2k7j s VAL 37 Cb -0.08 -2.24 0.00 0.00 0.56 0.00 0.00 36.38 34.62 2k7j s VAL 37 CO 0.24 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.64 2k7j n GLY 38 N -1.00 0.44 3.54 2.32 0.00 -1.26 -1.56 105.19 107.67 2k7j n GLY 38 Ca -0.08 -1.35 -0.13 0.00 0.00 0.00 0.00 46.02 44.47 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 -3.54 -0.47 -0.06 1.61 -2.14 -1.26 -3.09 118.94 109.99 2k7j s TRP 39 Ca 0.00 0.73 0.03 0.00 2.66 0.00 0.00 56.10 59.52 2k7j s TRP 39 Cb 0.00 0.45 0.01 0.00 -3.10 0.00 0.00 33.47 30.83 2k7j s TRP 39 CO 0.00 -0.47 -0.14 0.54 -2.66 0.00 0.00 176.95 174.22 2k7j s VAL 40 N -1.48 1.23 -0.16 -0.66 0.11 -1.25 -3.22 120.40 114.97 2k7j s VAL 40 Ca -0.04 -0.56 -0.22 0.00 -2.93 0.00 0.00 61.98 58.23 2k7j s VAL 40 Cb -0.00 -1.10 0.06 0.00 -1.53 0.00 0.00 36.38 33.80 2k7j s VAL 40 CO 0.02 0.37 0.58 -1.58 -3.33 0.00 0.00 175.10 171.17 2k7j s GLN 41 N 0.47 0.78 0.14 1.54 0.74 -1.24 -3.03 119.66 119.06 2k7j s GLN 41 Ca -0.12 0.59 -0.10 0.00 0.05 0.00 0.00 55.36 55.78 2k7j s GLN 41 Cb -0.14 0.37 -0.06 0.00 1.10 0.00 0.00 33.01 34.27 2k7j s GLN 41 CO 0.04 -0.15 0.47 0.54 -0.55 0.00 0.00 175.29 175.63 2k7j s ASN 42 N -0.21 6.66 0.62 6.67 4.22 -1.26 -1.53 114.94 130.11 2k7j s ASN 42 Ca -0.04 0.86 0.08 0.00 -2.14 0.00 0.00 52.86 51.61 2k7j s ASN 42 Cb -0.03 -2.20 0.11 0.00 1.28 0.00 0.00 41.25 40.40 2k7j s ASN 42 CO 0.03 0.08 0.86 0.42 -2.04 0.00 0.00 177.10 176.45 2k7j s THR 43 N -1.56 2.05 -0.40 0.54 -4.23 0.50 -4.95 115.64 107.60 2k7j s THR 43 Ca 0.39 -0.91 0.05 0.00 -1.18 0.00 0.00 61.69 60.04 2k7j s THR 43 Cb -0.13 -2.14 0.63 0.00 1.34 0.00 0.00 72.50 72.20 2k7j s THR 43 CO 0.20 0.00 1.82 0.47 -0.54 0.00 0.00 174.62 176.57 2k7j n ASP 44 N -2.42 3.92 0.00 3.99 9.92 -1.26 -4.18 116.55 126.52 2k7j n ASP 44 Ca 0.16 -3.39 0.00 0.00 -0.53 0.00 0.00 54.79 51.04 2k7j n ASP 44 Cb 0.62 -0.79 0.00 0.00 -0.64 0.00 0.00 41.12 40.30 2k7j n ASP 44 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 2k7j n ARG 45 N -0.79 0.94 0.00 -1.24 0.63 -1.26 -5.05 116.66 109.89 2k7j n ARG 45 Ca 0.51 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.44 2k7j n ARG 45 Cb 1.52 -0.90 0.00 0.00 0.45 0.00 0.00 32.46 33.53 2k7j n ARG 45 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2k7j n GLY 46 N 2.93 0.38 3.40 5.14 0.00 -1.26 -5.10 105.19 110.68 2k7j n GLY 46 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.62 0.04 -0.30 2.61 -4.23 -1.26 -4.11 115.64 107.78 2k7j s THR 47 Ca 0.00 -1.36 0.00 0.00 -1.18 0.00 0.00 61.69 59.15 2k7j s THR 47 Cb 0.00 -1.92 0.09 0.00 1.34 0.00 0.00 72.50 72.02 2k7j s THR 47 CO 0.00 -0.20 0.07 -0.69 -0.54 0.00 0.00 174.62 173.26 2k7j s VAL 48 N -3.98 1.15 -0.67 2.29 1.01 -0.85 -0.37 120.40 118.98 2k7j s VAL 48 Ca 0.18 -1.47 -0.26 0.00 0.00 0.00 0.00 61.98 60.43 2k7j s VAL 48 Cb 0.02 -1.80 -0.09 0.00 0.00 0.00 0.00 36.38 34.51 2k7j s VAL 48 CO 0.02 -0.57 2.30 -1.10 0.00 0.00 0.00 175.10 175.75 2k7j s GLN 49 N 1.49 2.00 0.01 2.72 -0.21 -0.58 -2.80 119.66 122.29 2k7j s GLN 49 Ca 0.08 0.76 0.03 0.00 0.02 0.00 0.00 55.36 56.25 2k7j s GLN 49 Cb -0.18 -4.70 -0.03 0.00 1.00 0.00 0.00 33.01 29.10 2k7j s GLN 49 CO -0.19 -3.71 -0.04 0.20 -2.12 0.00 0.00 175.29 169.43 2k7j s GLY 50 N 10.78 1.80 0.07 3.09 0.00 0.64 -3.62 107.32 120.08 2k7j s GLY 50 Ca 0.89 -1.01 0.07 0.00 0.00 0.00 0.00 44.72 44.68 2k7j s GLY 50 CO 0.15 -0.88 -0.20 1.25 0.00 0.00 0.00 173.10 173.42 2k7j s LYS 51 N -1.52 1.18 -0.53 2.90 2.20 -1.20 -2.02 119.74 120.76 2k7j s LYS 51 Ca 0.18 -1.03 0.07 0.00 -0.36 0.00 0.00 55.97 54.84 2k7j s LYS 51 Cb -0.11 -1.35 0.29 0.00 -1.51 0.00 0.00 37.83 35.15 2k7j s LYS 51 CO 0.09 0.33 0.75 1.28 -0.36 0.00 0.00 175.35 177.44 2k7j n LEU 52 N 1.46 2.70 -4.70 5.43 4.77 -1.08 -4.37 117.00 121.22 2k7j n LEU 52 Ca -0.19 -5.28 -0.42 0.00 -0.03 0.00 0.00 56.01 50.10 2k7j n LEU 52 Cb 0.54 -0.13 -0.03 0.00 -2.33 0.00 0.00 43.42 41.47 2k7j n LEU 52 CO 0.23 2.18 1.15 -1.10 -1.33 0.00 0.00 177.39 178.52 2k7j s GLN 53 N -2.46 4.27 0.00 3.23 -0.21 -0.60 -4.51 119.66 119.39 2k7j s GLN 53 Ca 0.41 2.09 0.00 0.00 0.02 0.00 0.00 55.36 57.88 2k7j s GLN 53 Cb 0.22 -3.47 0.00 0.00 1.00 0.00 0.00 33.01 30.76 2k7j s GLN 53 CO -0.08 -0.57 0.00 0.41 -2.12 0.00 0.00 175.29 172.93 2k7j n GLY 54 N 3.68 -0.07 3.76 3.09 0.00 -0.36 -0.82 105.19 114.48 2k7j n GLY 54 Ca 0.13 -1.53 -0.41 0.00 0.00 0.00 0.00 46.02 44.22 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 4.46 0.39 1.61 0.04 -1.26 -0.15 135.00 138.09 2k7j s PRO 55 Ca 0.00 2.06 0.14 0.00 0.04 0.00 0.00 61.00 63.23 2k7j s PRO 55 Cb 0.00 -3.12 0.79 0.00 0.04 0.00 0.00 34.50 32.21 2k7j s PRO 55 CO 0.00 -0.05 1.86 0.82 0.04 0.00 0.00 177.00 179.67 2k7j h ILE 56 N 3.13 1.21 -0.79 0.56 2.04 -1.82 -1.82 117.51 120.02 2k7j h ILE 56 Ca -0.48 -1.15 0.23 0.00 1.00 0.00 0.00 64.86 64.46 2k7j h ILE 56 Cb 1.22 1.62 -0.03 0.00 -0.74 0.00 0.00 36.82 38.89 2k7j h ILE 56 CO 0.67 0.33 0.57 0.77 0.00 0.00 0.00 178.15 180.49 2k7j h SER 57 N 0.00 0.01 0.00 1.72 4.64 -1.92 -0.56 113.55 117.44 2k7j h SER 57 Ca -0.00 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.95 2k7j h SER 57 Cb 0.60 -0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.62 2k7j h SER 57 CO 0.04 0.00 -2.37 0.29 -0.87 0.00 0.00 176.83 173.93 2k7j n LYS 58 N -4.30 0.59 0.03 4.77 4.01 -1.03 -4.38 118.16 117.85 2k7j n LYS 58 Ca 0.16 0.15 0.21 0.00 -0.51 0.00 0.00 58.31 58.32 2k7j n LYS 58 Cb 0.86 -1.47 0.73 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 -0.10 0.54 -0.16 -0.18 2.07 -0.84 0.16 116.25 117.74 2k7j h VAL 59 Ca -0.55 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.02 2k7j h VAL 59 Cb 1.80 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 32.24 2k7j h VAL 59 CO -0.12 0.00 0.17 0.03 0.02 0.00 0.00 177.57 177.67 2k7j h ARG 60 N 0.00 0.00 0.01 1.57 2.47 -1.32 -0.07 114.38 117.04 2k7j h ARG 60 Ca 0.24 0.00 -0.36 0.00 -1.26 0.00 0.00 59.98 58.60 2k7j h ARG 60 Cb 1.09 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 29.35 2k7j h ARG 60 CO -0.00 0.00 -2.26 0.39 0.56 0.00 0.00 179.97 178.65 2k7j n GLU 61 N -3.91 0.68 -0.27 0.04 -0.58 0.54 -4.35 120.64 112.78 2k7j n GLU 61 Ca 0.01 0.11 -0.07 0.00 -0.42 0.00 0.00 57.16 56.80 2k7j n GLU 61 Cb 0.29 -1.58 0.06 0.00 -0.57 0.00 0.00 31.44 29.63 2k7j n GLU 61 CO 0.00 0.00 0.00 1.98 -0.48 0.00 0.00 177.13 178.63 2k7j h MET 62 N 0.01 1.16 -0.90 3.49 4.05 -1.01 -2.75 114.93 118.97 2k7j h MET 62 Ca -0.50 -0.25 0.12 0.00 -0.28 0.00 0.00 59.70 58.79 2k7j h MET 62 Cb 2.09 -0.17 -0.08 0.00 -0.80 0.00 0.00 31.60 32.64 2k7j h MET 62 CO 0.01 0.99 0.53 -0.56 0.23 0.00 0.00 176.91 178.11 2k7j h GLN 63 N 1.11 0.80 -0.16 0.39 3.07 -1.23 0.36 115.11 119.44 2k7j h GLN 63 Ca 0.24 -0.05 -0.07 0.00 0.09 0.00 0.00 58.65 58.86 2k7j h GLN 63 Cb 0.32 -0.18 -0.01 0.00 0.08 0.00 0.00 27.48 27.68 2k7j h GLN 63 CO -0.01 0.53 -0.23 0.87 0.09 0.00 0.00 178.83 180.09 2k7j h LYS 64 N 0.82 0.28 0.00 0.06 6.56 -1.69 -1.70 116.57 120.90 2k7j h LYS 64 Ca 0.46 -0.09 -0.04 0.00 -1.06 0.00 0.00 60.65 59.92 2k7j h LYS 64 Cb 0.51 -0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 32.14 2k7j h LYS 64 CO -0.29 0.50 -0.18 -1.49 -2.06 0.00 0.00 179.45 175.93 2k7j h TRP 65 N 0.26 0.00 -0.32 -1.35 4.06 -0.80 0.24 115.95 118.04 2k7j h TRP 65 Ca 0.04 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.99 2k7j h TRP 65 Cb 0.55 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.71 2k7j h TRP 65 CO 0.01 0.18 0.00 1.28 -3.56 0.00 0.00 178.44 176.36 2k7j n LEU 66 N -3.52 3.79 0.05 -4.49 4.77 -0.85 -2.82 117.00 113.92 2k7j n LEU 66 Ca -0.01 -2.71 0.00 0.00 -0.03 0.00 0.00 56.01 53.26 2k7j n LEU 66 Cb 0.34 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 2k7j n LEU 66 CO 0.32 0.69 0.00 1.21 -1.33 0.00 0.00 177.39 178.28 2k7j n GLU 67 N -0.08 0.00 -0.00 3.23 2.13 -0.70 -4.91 120.64 120.31 2k7j n GLU 67 Ca 0.19 0.00 -0.00 0.00 0.66 0.00 0.00 57.16 58.01 2k7j n GLU 67 Cb 0.79 -0.41 -0.00 0.00 0.27 0.00 0.00 31.44 32.09 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 -3.40 0.01 -1.94 6.31 5.66 -0.62 -4.74 114.28 115.56 2k7j n THR 68 Ca 0.00 -0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.63 2k7j n THR 68 Cb 0.00 -0.88 -0.01 0.00 -1.55 0.00 0.00 70.33 67.89 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 -2.12 4.01 0.00 1.09 3.00 0.76 -4.93 116.66 118.46 2k7j n ARG 69 Ca -0.00 -3.33 0.00 0.00 -0.01 0.00 0.00 57.85 54.50 2k7j n ARG 69 Cb 0.50 -2.45 0.00 0.00 0.00 0.00 0.00 32.46 30.51 2k7j n ARG 69 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2k7j n GLY 70 N 1.09 0.97 3.94 -0.13 0.00 -1.13 -4.37 105.19 105.56 2k7j n GLY 70 Ca 0.56 -1.50 -0.24 0.00 0.00 0.00 0.00 46.02 44.84 2k7j n GLY 70 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2k7j s SER 71 N -1.00 6.23 0.26 1.61 1.04 -1.26 -5.01 113.70 115.57 2k7j s SER 71 Ca 0.00 0.52 0.03 0.00 0.48 0.00 0.00 55.95 56.98 2k7j s SER 71 Cb 0.00 -2.01 0.33 0.00 0.10 0.00 0.00 66.02 64.44 2k7j s SER 71 CO 0.00 -0.40 1.63 1.55 0.98 0.00 0.00 173.24 177.01 2k7j h PRO 72 N 0.61 0.35 0.00 4.02 0.13 -2.01 -3.36 132.00 131.75 2k7j h PRO 72 Ca -0.49 -0.19 0.00 0.00 -0.87 0.00 0.00 66.00 64.46 2k7j h PRO 72 Cb 1.22 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2k7j h PRO 72 CO 0.61 0.74 0.00 0.39 -0.23 0.00 0.00 178.00 179.51 2k7j n GLU 73 N -4.00 0.00 -0.58 0.86 -0.58 -1.26 -4.88 120.64 110.21 2k7j n GLU 73 Ca -0.02 0.36 -0.22 0.00 -0.42 0.00 0.00 57.16 56.86 2k7j n GLU 73 Cb 0.52 -1.13 0.19 0.00 -0.57 0.00 0.00 31.44 30.46 2k7j n GLU 73 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 2k7j n SER 74 N -1.57 -2.37 -3.70 1.62 3.41 -1.26 -5.08 113.62 104.67 2k7j n SER 74 Ca 0.00 -0.88 -0.11 0.00 -0.26 0.00 0.00 58.87 57.62 2k7j n SER 74 Cb 0.00 -0.73 -0.11 0.00 -0.26 0.00 0.00 64.21 63.10 2k7j n SER 74 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 2k7j s HIS 75 N -2.25 -0.57 -0.73 7.33 2.46 -1.25 -4.67 115.29 115.60 2k7j s HIS 75 Ca 0.51 1.23 -0.14 0.00 0.47 0.00 0.00 55.06 57.13 2k7j s HIS 75 Cb -0.06 0.24 0.19 0.00 -0.13 0.00 0.00 32.58 32.81 2k7j s HIS 75 CO 0.40 -0.33 0.67 0.42 -2.47 0.00 0.00 174.74 173.43 2k7j s ILE 76 N 1.44 5.40 0.45 0.89 1.01 -1.26 -0.68 121.20 128.44 2k7j s ILE 76 Ca -0.09 -2.20 0.23 0.00 0.00 0.00 0.00 60.65 58.58 2k7j s ILE 76 Cb -0.09 -4.38 0.26 0.00 0.01 0.00 0.00 42.46 38.27 2k7j s ILE 76 CO -0.12 -0.97 2.06 -0.78 0.00 0.00 0.00 174.94 175.13 2k7j h ASP 77 N 8.07 0.00 -4.63 3.58 3.58 -1.89 -3.46 116.42 121.68 2k7j h ASP 77 Ca -0.02 0.00 0.17 0.00 0.42 0.00 0.00 57.03 57.60 2k7j h ASP 77 Cb 1.05 0.00 -0.16 0.00 1.72 0.00 0.00 39.33 41.95 2k7j h ASP 77 CO 0.83 0.13 0.60 -1.59 -2.88 0.00 0.00 179.24 176.33 2k7j s LYS 78 N -4.39 0.68 0.29 0.28 -2.85 -1.26 -5.01 119.74 107.47 2k7j s LYS 78 Ca -0.03 -0.27 -0.10 0.00 -1.00 0.00 0.00 55.97 54.56 2k7j s LYS 78 Cb 0.14 0.30 0.01 0.00 -2.06 0.00 0.00 37.83 36.22 2k7j s LYS 78 CO 0.62 -0.30 0.52 0.00 0.10 0.00 0.00 175.35 176.29 2k7j s ALA 79 N -2.90 -0.02 -0.20 0.59 0.00 -1.26 -2.64 121.76 115.33 2k7j s ALA 79 Ca 0.07 -1.04 -0.34 0.00 0.00 0.00 0.00 51.96 50.65 2k7j s ALA 79 Cb -0.01 1.04 0.15 0.00 0.00 0.00 0.00 23.12 24.30 2k7j s ALA 79 CO -0.07 -0.85 1.21 1.21 0.00 0.00 0.00 175.76 177.26 2k7j s ASN 80 N -3.09 -0.14 0.29 0.00 2.47 -1.26 -4.99 114.94 108.21 2k7j s ASN 80 Ca 0.24 0.04 0.06 0.00 0.42 0.00 0.00 52.86 53.62 2k7j s ASN 80 Cb -0.01 0.14 -0.02 0.00 -1.45 0.00 0.00 41.25 39.91 2k7j s ASN 80 CO 0.13 -0.22 0.37 0.72 -3.72 0.00 0.00 177.10 174.38 2k7j s PHE 81 N -2.10 3.21 0.00 0.43 -0.12 -1.26 -4.51 117.98 113.63 2k7j s PHE 81 Ca 0.08 -0.14 0.00 0.00 -0.05 0.00 0.00 56.93 56.82 2k7j s PHE 81 Cb -0.01 -1.72 0.00 0.00 -0.63 0.00 0.00 43.02 40.66 2k7j s PHE 81 CO -0.05 0.26 0.00 1.63 -0.05 0.00 0.00 175.22 177.01 2k7j n LYS 82 N -1.45 0.00 -3.20 1.99 4.76 -1.26 -5.02 118.16 113.97 2k7j n LYS 82 Ca -0.05 0.02 0.04 0.00 -2.87 0.00 0.00 58.31 55.45 2k7j n LYS 82 Cb 0.58 -0.42 -0.02 0.00 -1.84 0.00 0.00 35.03 33.33 2k7j n LYS 82 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 2k7j s ASN 83 N -3.36 -0.69 0.25 4.39 2.47 -1.26 -5.08 114.94 111.66 2k7j s ASN 83 Ca 0.00 0.52 -0.30 0.00 0.42 0.00 0.00 52.86 53.50 2k7j s ASN 83 Cb 0.00 1.61 -0.09 0.00 -1.45 0.00 0.00 41.25 41.32 2k7j s ASN 83 CO 0.00 -0.13 0.97 -1.83 -3.72 0.00 0.00 177.10 172.39 2k7j s GLU 84 N 2.84 4.80 -0.22 0.43 -1.05 -1.26 -4.52 118.70 119.72 2k7j s GLU 84 Ca 0.03 1.55 -0.01 0.00 -0.15 0.00 0.00 54.97 56.40 2k7j s GLU 84 Cb -0.11 -3.24 0.02 0.00 -0.44 0.00 0.00 34.13 30.36 2k7j s GLU 84 CO -0.14 0.44 -0.11 0.21 0.95 0.00 0.00 175.26 176.61 2k7j s LYS 85 N -1.27 2.96 -0.38 -4.83 2.47 -0.19 -4.87 119.74 113.62 2k7j s LYS 85 Ca 0.42 -0.88 -0.28 0.00 -1.56 0.00 0.00 55.97 53.67 2k7j s LYS 85 Cb -0.27 -2.84 -0.00 0.00 -1.46 0.00 0.00 37.83 33.26 2k7j s LYS 85 CO 0.34 -0.30 1.62 0.08 0.16 0.00 0.00 175.35 177.24 2k7j s VAL 86 N 1.33 3.67 0.19 4.02 1.01 -1.26 -1.00 120.40 128.36 2k7j s VAL 86 Ca 0.02 0.67 0.09 0.00 0.00 0.00 0.00 61.98 62.76 2k7j s VAL 86 Cb -0.15 -3.92 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 2k7j s VAL 86 CO -0.07 -0.60 -0.07 0.27 0.00 0.00 0.00 175.10 174.63 2k7j s ILE 87 N 6.27 3.31 -0.09 2.22 -4.36 0.10 -4.98 121.20 123.68 2k7j s ILE 87 Ca 0.71 -1.67 0.13 0.00 -0.26 0.00 0.00 60.65 59.56 2k7j s ILE 87 Cb -0.18 -2.67 -0.02 0.00 1.25 0.00 0.00 42.46 40.84 2k7j s ILE 87 CO 0.33 -0.15 1.33 0.25 0.24 0.00 0.00 174.94 176.93 2k7j h LEU 88 N 2.71 0.00 -7.73 0.37 6.46 -1.94 -3.38 115.31 111.80 2k7j h LEU 88 Ca -0.46 0.00 -0.11 0.00 -0.12 0.00 0.00 57.88 57.19 2k7j h LEU 88 Cb 1.21 0.00 -0.17 0.00 -0.73 0.00 0.00 40.66 40.97 2k7j h LEU 88 CO 0.56 0.63 -0.39 -1.59 -0.62 0.00 0.00 178.44 177.02 2k7j s LYS 89 N -2.89 0.68 -0.15 1.25 -2.85 -1.26 -4.95 119.74 109.58 2k7j s LYS 89 Ca 0.02 -0.61 -0.16 0.00 -1.00 0.00 0.00 55.97 54.22 2k7j s LYS 89 Cb 0.08 0.28 -0.04 0.00 -2.06 0.00 0.00 37.83 36.09 2k7j s LYS 89 CO 0.77 -0.20 0.39 -0.51 0.10 0.00 0.00 175.35 175.90 2k7j s LEU 90 N -2.04 4.25 0.50 2.77 1.43 -1.26 -4.96 118.68 119.36 2k7j s LEU 90 Ca -0.06 0.65 0.23 0.00 -1.03 0.00 0.00 54.13 53.92 2k7j s LEU 90 Cb -0.01 -2.54 1.30 0.00 0.03 0.00 0.00 46.19 44.97 2k7j s LEU 90 CO -0.03 0.03 2.04 -2.24 0.23 0.00 0.00 176.35 176.38 2k7j h ASP 91 N 6.78 0.00 -2.43 2.29 2.03 -2.00 -3.43 116.42 119.66 2k7j h ASP 91 Ca -0.40 0.00 -0.52 0.00 -0.73 0.00 0.00 57.03 55.37 2k7j h ASP 91 Cb 1.17 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 39.63 2k7j h ASP 91 CO 0.75 0.15 -0.50 -0.31 -1.03 0.00 0.00 179.24 178.30 2k7j s TYR 92 N -4.33 3.29 -0.09 4.15 1.51 -1.26 -5.03 117.35 115.58 2k7j s TYR 92 Ca -0.03 -0.01 0.10 0.00 -1.01 0.00 0.00 57.07 56.12 2k7j s TYR 92 Cb 0.14 -1.53 -0.14 0.00 -0.11 0.00 0.00 41.96 40.31 2k7j s TYR 92 CO 0.62 0.50 0.08 0.43 -1.11 0.00 0.00 175.55 176.07 2k7j n SER 93 N -0.83 2.32 -3.83 2.29 7.64 -1.26 -4.96 113.62 114.99 2k7j n SER 93 Ca -0.08 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.70 2k7j n SER 93 Cb 0.56 0.92 -0.07 0.00 -1.01 0.00 0.00 64.21 64.60 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 -4.14 0.04 -0.01 6.43 -4.77 -1.26 -4.93 116.67 108.02 2k7j s ASP 94 Ca -0.05 -0.50 -0.26 0.00 -3.30 0.00 0.00 52.55 48.44 2k7j s ASP 94 Cb 0.04 0.34 -0.04 0.00 -1.09 0.00 0.00 42.92 42.17 2k7j s ASP 94 CO 0.45 -0.68 0.81 0.12 0.70 0.00 0.00 175.17 176.57 2k7j s PHE 95 N -3.35 3.65 0.19 2.11 2.19 -1.26 -4.26 117.98 117.25 2k7j s PHE 95 Ca 0.01 1.46 0.08 0.00 0.33 0.00 0.00 56.93 58.81 2k7j s PHE 95 Cb 0.02 -2.91 -0.04 0.00 -1.31 0.00 0.00 43.02 38.78 2k7j s PHE 95 CO -0.08 0.11 -0.16 -1.14 1.83 0.00 0.00 175.22 175.78 2k7j s GLN 96 N 0.62 1.30 -0.10 10.12 2.00 -1.18 -4.93 119.66 127.49 2k7j s GLN 96 Ca 0.42 -1.51 -0.06 0.00 -2.00 0.00 0.00 55.36 52.22 2k7j s GLN 96 Cb -0.20 -1.20 -0.04 0.00 0.80 0.00 0.00 33.01 32.38 2k7j s GLN 96 CO 0.23 0.22 0.13 0.42 -0.50 0.00 0.00 175.29 175.78 2k7j s ILE 97 N -2.58 5.36 0.15 -2.34 1.01 -1.26 -3.81 121.20 117.73 2k7j s ILE 97 Ca 0.19 0.11 -0.13 0.00 0.00 0.00 0.00 60.65 60.82 2k7j s ILE 97 Cb -0.03 -3.35 -0.07 0.00 0.01 0.00 0.00 42.46 39.02 2k7j s ILE 97 CO 0.07 0.58 0.54 -0.69 0.00 0.00 0.00 174.94 175.44 2k7j s VAL 98 N -1.05 4.89 -2.21 2.92 1.01 -1.17 -4.96 120.40 119.83 2k7j s VAL 98 Ca 0.16 0.74 0.18 0.00 0.00 0.00 0.00 61.98 63.06 2k7j s VAL 98 Cb -0.12 -3.71 0.14 0.00 0.00 0.00 0.00 36.38 32.69 2k7j s VAL 98 CO 0.06 0.20 1.06 2.29 0.00 0.00 0.00 175.10 178.70