#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 3.51 -0.01 4.61 0.00 -1.26 -5.08 121.76 123.52 2k7j s ALA 2 Ca 0.00 -2.13 -0.11 0.00 0.00 0.00 0.00 51.96 49.72 2k7j s ALA 2 Cb 0.00 -0.26 -0.06 0.00 0.00 0.00 0.00 23.12 22.80 2k7j s ALA 2 CO 0.00 -0.16 0.65 0.93 0.00 0.00 0.00 175.76 177.18 2k7j h GLU 3 N 1.49 -0.37 0.00 0.00 5.08 -1.99 -3.51 114.58 115.29 2k7j h GLU 3 Ca -0.43 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 2k7j h GLU 3 Cb 1.25 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.59 2k7j h GLU 3 CO 0.72 -0.25 0.00 0.41 -1.00 0.00 0.00 179.01 178.90 2k7j n GLY 4 N 0.28 -0.03 2.55 -3.84 0.00 -1.26 -4.93 105.19 97.96 2k7j n GLY 4 Ca -0.05 -0.96 -0.29 0.00 0.00 0.00 0.00 46.02 44.72 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 0.00 6.72 -4.56 1.61 0.23 -1.26 -4.41 115.26 113.59 2k7j n ASN 5 Ca 0.00 -3.35 -0.29 0.00 -0.53 0.00 0.00 54.58 50.41 2k7j n ASN 5 Cb 0.00 -1.19 -0.05 0.00 -2.08 0.00 0.00 39.78 36.47 2k7j n ASN 5 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 2k7j s THR 6 N -2.91 3.54 -0.14 5.53 2.01 -1.26 -4.92 115.64 117.49 2k7j s THR 6 Ca 0.56 -0.57 -0.29 0.00 0.31 0.00 0.00 61.69 61.70 2k7j s THR 6 Cb 0.39 -4.27 -0.02 0.00 0.01 0.00 0.00 72.50 68.61 2k7j s THR 6 CO -0.25 -1.11 1.29 -0.76 -0.69 0.00 0.00 174.62 173.10 2k7j s LEU 7 N 9.47 4.21 0.00 4.42 1.43 -1.26 -1.28 118.68 135.66 2k7j s LEU 7 Ca 0.66 1.76 0.06 0.00 -1.03 0.00 0.00 54.13 55.58 2k7j s LEU 7 Cb -0.04 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.61 2k7j s LEU 7 CO 0.01 -0.76 0.21 2.30 0.23 0.00 0.00 176.35 178.35 2k7j n ILE 8 N 5.29 0.00 -3.30 -0.59 -5.35 -0.22 -1.58 119.36 113.61 2k7j n ILE 8 Ca 0.14 -2.31 -0.06 0.00 -0.27 0.00 0.00 62.75 60.25 2k7j n ILE 8 Cb 0.45 1.01 -0.06 0.00 -1.74 0.00 0.00 39.64 39.30 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 -3.31 -0.17 -0.06 7.28 1.04 -0.68 -1.89 113.70 115.90 2k7j s SER 9 Ca 0.30 0.33 0.04 0.00 0.48 0.00 0.00 55.95 57.11 2k7j s SER 9 Cb 0.01 1.38 -0.00 0.00 0.10 0.00 0.00 66.02 67.52 2k7j s SER 9 CO 0.21 -0.29 -0.19 0.54 0.98 0.00 0.00 173.24 174.49 2k7j s VAL 10 N 2.63 1.63 0.19 5.02 0.11 -1.12 -1.19 120.40 127.67 2k7j s VAL 10 Ca 0.14 -0.80 0.08 0.00 -2.93 0.00 0.00 61.98 58.47 2k7j s VAL 10 Cb -0.15 -1.41 -0.04 0.00 -1.53 0.00 0.00 36.38 33.25 2k7j s VAL 10 CO -0.18 0.46 -0.01 -0.62 -3.33 0.00 0.00 175.10 171.42 2k7j s ASP 11 N 0.22 4.67 0.18 3.54 2.15 -1.26 -0.95 116.67 125.22 2k7j s ASP 11 Ca -0.10 -0.46 -0.24 0.00 0.43 0.00 0.00 52.55 52.18 2k7j s ASP 11 Cb -0.14 -0.95 0.05 0.00 -0.30 0.00 0.00 42.92 41.58 2k7j s ASP 11 CO 0.05 0.08 0.91 -0.72 -0.17 0.00 0.00 175.17 175.32 2k7j s TYR 12 N -1.81 -0.13 -0.55 -5.34 -0.85 -0.75 -3.18 117.35 104.73 2k7j s TYR 12 Ca 0.28 -0.21 0.04 0.00 -0.52 0.00 0.00 57.07 56.66 2k7j s TYR 12 Cb -0.09 0.66 0.14 0.00 0.38 0.00 0.00 41.96 43.05 2k7j s TYR 12 CO 0.18 -0.92 0.33 -1.83 -1.52 0.00 0.00 175.55 171.79 2k7j s GLU 13 N -3.39 1.93 0.42 -3.49 -1.05 -1.26 -0.21 118.70 111.66 2k7j s GLU 13 Ca 0.12 -2.70 -0.24 0.00 -0.15 0.00 0.00 54.97 52.01 2k7j s GLU 13 Cb -0.02 -3.06 -0.11 0.00 -0.44 0.00 0.00 34.13 30.50 2k7j s GLU 13 CO 0.03 -1.19 0.94 -0.89 0.95 0.00 0.00 175.26 175.11 2k7j n ILE 14 N 2.83 2.38 -2.92 1.83 2.08 -0.29 -4.42 119.36 120.85 2k7j n ILE 14 Ca 0.11 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 62.92 2k7j n ILE 14 Cb 0.34 -1.05 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 -0.56 -2.92 0.00 1.39 3.72 -1.08 -0.19 117.46 117.82 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 0.04 2.32 1.37 0.00 -1.26 -4.37 105.19 108.29 2k7j n GLY 16 Ca 0.00 -2.27 -0.25 0.00 0.00 0.00 0.00 46.02 43.50 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 2.25 -1.37 1.61 2.85 -1.14 -4.75 118.16 117.62 2k7j n LYS 17 Ca 0.00 -2.19 -0.28 0.00 -1.05 0.00 0.00 58.31 54.79 2k7j n LYS 17 Cb 0.00 -2.00 -0.08 0.00 -0.65 0.00 0.00 35.03 32.31 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 0.60 3.88 -4.06 0.58 0.24 -1.26 -4.44 118.33 113.86 2k7j n VAL 18 Ca 0.44 -2.62 -0.33 0.00 -2.04 0.00 0.00 64.34 59.79 2k7j n VAL 18 Cb 0.56 -2.13 -0.15 0.00 -1.47 0.00 0.00 33.84 30.65 2k7j n VAL 18 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 2k7j s GLN 19 N 0.47 2.68 -0.47 7.34 -0.21 -1.26 -4.57 119.66 123.64 2k7j s GLN 19 Ca 0.64 -1.06 -0.02 0.00 0.02 0.00 0.00 55.36 54.94 2k7j s GLN 19 Cb 0.26 -2.80 0.00 0.00 1.00 0.00 0.00 33.01 31.48 2k7j s GLN 19 CO -0.08 -0.39 0.26 0.41 -2.12 0.00 0.00 175.29 173.37 2k7j n GLY 20 N 4.56 0.37 3.16 3.09 0.00 -1.26 -5.04 105.19 110.08 2k7j n GLY 20 Ca -0.17 -0.45 -0.32 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.87 2.02 -0.47 1.61 0.11 -1.26 -5.01 120.40 114.52 2k7j s VAL 21 Ca 0.13 -0.95 0.03 0.00 -2.93 0.00 0.00 61.98 58.26 2k7j s VAL 21 Cb -0.06 -1.78 0.50 0.00 -1.53 0.00 0.00 36.38 33.51 2k7j s VAL 21 CO 0.16 0.54 1.72 2.22 -3.33 0.00 0.00 175.10 176.41 2k7j n PHE 22 N 4.07 2.68 -3.10 1.54 1.16 -1.26 -4.79 117.46 117.75 2k7j n PHE 22 Ca -0.20 -2.38 -0.37 0.00 -1.87 0.00 0.00 57.45 52.63 2k7j n PHE 22 Cb 0.51 -0.93 -0.02 0.00 -1.61 0.00 0.00 39.48 37.43 2k7j n PHE 22 CO 0.00 0.00 0.00 1.19 -1.87 0.00 0.00 176.76 176.08 2k7j n PHE 23 N -0.95 2.79 -1.29 2.97 3.01 -1.26 -4.77 117.46 117.95 2k7j n PHE 23 Ca 0.52 -3.13 -0.12 0.00 1.01 0.00 0.00 57.45 55.74 2k7j n PHE 23 Cb 0.97 -1.00 0.21 0.00 -0.01 0.00 0.00 39.48 39.66 2k7j n PHE 23 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 2k7j n ARG 24 N 0.99 2.28 -0.02 -1.08 1.74 -1.26 -4.40 116.66 114.89 2k7j n ARG 24 Ca 0.29 -3.09 -0.03 0.00 -0.77 0.00 0.00 57.85 54.25 2k7j n ARG 24 Cb 0.35 -2.01 -0.13 0.00 -1.02 0.00 0.00 32.46 29.66 2k7j n ARG 24 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 2k7j n LYS 25 N -0.99 0.65 0.11 5.56 3.00 -1.26 -3.68 118.16 121.54 2k7j n LYS 25 Ca 0.44 0.12 -0.01 0.00 -0.00 0.00 0.00 58.31 58.86 2k7j n LYS 25 Cb 1.32 -1.69 -0.03 0.00 0.00 0.00 0.00 35.03 34.64 2k7j n LYS 25 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 2k7j h HIS 26 N 0.00 0.00 0.00 5.64 2.76 -1.96 -1.57 115.15 120.02 2k7j h HIS 26 Ca -0.28 0.00 -0.19 0.00 -2.20 0.00 0.00 60.37 57.69 2k7j h HIS 26 Cb 1.80 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 30.73 2k7j h HIS 26 CO 0.00 0.70 -0.92 0.00 -1.30 0.00 0.00 177.93 176.41 2k7j h THR 27 N 0.00 1.62 0.00 6.26 1.03 -1.84 -3.28 112.91 116.70 2k7j h THR 27 Ca -0.01 -3.17 -0.19 0.00 -0.01 0.00 0.00 66.41 63.03 2k7j h THR 27 Cb 1.54 2.73 -0.03 0.00 -1.07 0.00 0.00 68.15 71.31 2k7j h THR 27 CO 0.09 0.90 -1.43 0.06 -0.01 0.00 0.00 175.52 175.12 2k7j h GLN 28 N 0.00 0.00 -0.30 0.00 -0.00 -1.63 -3.34 115.11 109.84 2k7j h GLN 28 Ca -0.01 0.00 0.02 0.00 -0.00 0.00 0.00 58.65 58.66 2k7j h GLN 28 Cb 1.65 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 29.11 2k7j h GLN 28 CO 0.12 0.34 0.15 0.00 -0.00 0.00 0.00 178.83 179.44 2k7j h ALA 29 N 1.34 0.37 -0.61 0.06 0.00 -1.35 -2.63 119.26 116.45 2k7j h ALA 29 Ca -0.18 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 2k7j h ALA 29 Cb 1.66 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.37 2k7j h ALA 29 CO 0.05 -0.23 0.29 0.93 0.00 0.00 0.00 179.25 180.30 2k7j h GLU 30 N 0.32 0.88 -0.14 0.00 4.39 -1.72 -2.10 114.58 116.21 2k7j h GLU 30 Ca 0.12 -0.13 0.04 0.00 0.34 0.00 0.00 59.36 59.73 2k7j h GLU 30 Cb 0.03 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.52 2k7j h GLU 30 CO -0.08 0.71 0.24 0.78 -1.16 0.00 0.00 179.01 179.50 2k7j h GLY 31 N 0.84 0.00 1.39 -3.84 0.00 -1.59 -0.15 103.07 99.72 2k7j h GLY 31 Ca 0.21 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.24 2k7j h GLY 31 CO -0.03 0.00 -1.41 0.50 0.00 0.00 0.00 176.54 175.60 2k7j h LYS 32 N 0.00 0.30 0.37 4.80 1.79 -1.15 -0.26 116.57 122.43 2k7j h LYS 32 Ca 0.07 -0.51 -0.02 0.00 -2.18 0.00 0.00 60.65 58.01 2k7j h LYS 32 Cb 0.54 0.19 0.00 0.00 -1.58 0.00 0.00 32.23 31.38 2k7j h LYS 32 CO -0.00 1.21 -0.18 0.87 -1.08 0.00 0.00 179.45 180.27 2k7j h LYS 33 N 0.08 -0.48 -0.65 3.15 1.57 -0.89 -3.25 116.57 116.10 2k7j h LYS 33 Ca -0.20 0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.54 2k7j h LYS 33 Cb 2.02 0.11 -0.03 0.00 0.08 0.00 0.00 32.23 34.41 2k7j h LYS 33 CO 0.19 -0.17 0.13 -0.07 -0.57 0.00 0.00 179.45 178.97 2k7j h LEU 34 N -0.86 1.00 0.00 2.94 3.38 -1.53 -3.47 115.31 116.78 2k7j h LEU 34 Ca -0.05 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.67 2k7j h LEU 34 Cb 0.54 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2k7j h LEU 34 CO 0.08 0.99 0.00 0.61 0.09 0.00 0.00 178.44 180.21 2k7j n GLY 35 N -0.61 1.39 3.89 0.83 0.00 -0.88 -4.99 105.19 104.82 2k7j n GLY 35 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 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 4.28 0.00 0.99 1.43 -0.16 -4.94 118.68 120.29 2k7j s LEU 36 Ca 0.00 0.65 0.01 0.00 -1.03 0.00 0.00 54.13 53.76 2k7j s LEU 36 Cb 0.00 -3.23 0.01 0.00 0.03 0.00 0.00 46.19 43.01 2k7j s LEU 36 CO 0.00 0.08 0.11 1.33 0.23 0.00 0.00 176.35 178.10 2k7j n VAL 37 N 0.30 0.00 0.00 -1.59 0.24 -0.46 -4.12 118.33 112.70 2k7j n VAL 37 Ca -0.04 -0.94 0.00 0.00 -2.04 0.00 0.00 64.34 61.32 2k7j n VAL 37 Cb 0.52 -0.12 0.00 0.00 -1.47 0.00 0.00 33.84 32.77 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 2.32 0.55 3.60 7.63 0.00 -1.26 -2.13 105.19 115.90 2k7j n GLY 38 Ca -0.04 -1.08 -0.07 0.00 0.00 0.00 0.00 46.02 44.82 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 -1.13 -0.25 -0.06 1.61 -2.14 -1.26 -3.79 118.94 111.93 2k7j s TRP 39 Ca 0.00 0.42 0.01 0.00 2.66 0.00 0.00 56.10 59.19 2k7j s TRP 39 Cb 0.00 0.47 0.02 0.00 -3.10 0.00 0.00 33.47 30.86 2k7j s TRP 39 CO 0.00 -0.23 -0.07 0.54 -2.66 0.00 0.00 176.95 174.53 2k7j s VAL 40 N -1.11 0.76 -0.16 -0.66 0.11 -1.25 -2.43 120.40 115.66 2k7j s VAL 40 Ca 0.02 -0.24 -0.19 0.00 -2.93 0.00 0.00 61.98 58.64 2k7j s VAL 40 Cb -0.01 -0.75 0.05 0.00 -1.53 0.00 0.00 36.38 34.14 2k7j s VAL 40 CO -0.02 0.28 0.52 -1.58 -3.33 0.00 0.00 175.10 170.97 2k7j s GLN 41 N 0.92 0.67 0.56 1.54 0.74 -1.22 -3.23 119.66 119.64 2k7j s GLN 41 Ca -0.11 0.57 -0.08 0.00 0.05 0.00 0.00 55.36 55.79 2k7j s GLN 41 Cb -0.15 0.32 0.13 0.00 1.10 0.00 0.00 33.01 34.41 2k7j s GLN 41 CO 0.01 -0.12 0.76 0.27 -0.55 0.00 0.00 175.29 175.66 2k7j n ASN 42 N 2.40 0.18 -4.12 6.67 6.94 -1.26 -0.18 115.26 125.89 2k7j n ASN 42 Ca -0.15 -1.35 -0.10 0.00 -0.02 0.00 0.00 54.58 52.96 2k7j n ASN 42 Cb 0.56 -0.57 -0.09 0.00 -2.36 0.00 0.00 39.78 37.32 2k7j n ASN 42 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 2k7j s THR 43 N -2.56 0.10 0.05 5.53 -4.23 0.83 -4.66 115.64 110.70 2k7j s THR 43 Ca 0.44 -1.82 0.13 0.00 -1.18 0.00 0.00 61.69 59.26 2k7j s THR 43 Cb -0.01 -2.01 -0.00 0.00 1.34 0.00 0.00 72.50 71.82 2k7j s THR 43 CO 0.30 -0.44 1.49 0.44 -0.54 0.00 0.00 174.62 175.88 2k7j h ASP 44 N 2.81 0.00 -0.22 3.99 3.32 -1.94 -3.27 116.42 121.10 2k7j h ASP 44 Ca -0.34 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.61 2k7j h ASP 44 Cb 1.20 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.75 2k7j h ASP 44 CO 0.57 0.62 -0.25 0.03 -1.72 0.00 0.00 179.24 178.50 2k7j h ARG 45 N 0.00 0.55 0.00 3.56 3.08 -1.98 -3.47 114.38 116.12 2k7j h ARG 45 Ca -0.01 -0.30 0.00 0.00 0.07 0.00 0.00 59.98 59.74 2k7j h ARG 45 Cb 1.33 0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.40 2k7j h ARG 45 CO 0.08 0.89 0.00 0.41 -1.07 0.00 0.00 179.97 180.28 2k7j n GLY 46 N 0.22 0.26 3.43 0.04 0.00 -1.23 -5.11 105.19 102.79 2k7j n GLY 46 Ca -0.05 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.32 0.00 -0.21 2.61 -4.23 -1.26 -4.20 115.64 108.03 2k7j s THR 47 Ca 0.00 -1.73 -0.04 0.00 -1.18 0.00 0.00 61.69 58.74 2k7j s THR 47 Cb 0.00 -2.63 0.07 0.00 1.34 0.00 0.00 72.50 71.28 2k7j s THR 47 CO 0.00 0.00 0.09 -0.69 -0.54 0.00 0.00 174.62 173.48 2k7j s VAL 48 N -3.05 0.11 -0.77 2.29 1.01 0.73 -0.12 120.40 120.61 2k7j s VAL 48 Ca 0.34 -0.44 -0.25 0.00 0.00 0.00 0.00 61.98 61.63 2k7j s VAL 48 Cb 0.00 -0.82 -0.06 0.00 0.00 0.00 0.00 36.38 35.50 2k7j s VAL 48 CO 0.24 -0.37 2.07 -1.10 0.00 0.00 0.00 175.10 175.93 2k7j s GLN 49 N 2.04 2.33 -0.17 2.72 -0.21 0.75 -1.13 119.66 125.99 2k7j s GLN 49 Ca 0.03 0.26 -0.06 0.00 0.02 0.00 0.00 55.36 55.61 2k7j s GLN 49 Cb -0.16 -4.79 -0.04 0.00 1.00 0.00 0.00 33.01 29.02 2k7j s GLN 49 CO -0.15 -3.42 0.04 0.20 -2.12 0.00 0.00 175.29 169.83 2k7j s GLY 50 N 9.05 1.86 0.06 3.09 0.00 0.71 -3.37 107.32 118.73 2k7j s GLY 50 Ca 0.77 -0.76 0.04 0.00 0.00 0.00 0.00 44.72 44.77 2k7j s GLY 50 CO 0.09 -0.03 -0.01 1.25 0.00 0.00 0.00 173.10 174.40 2k7j s LYS 51 N 0.24 2.57 -0.50 2.90 2.47 -1.02 -1.82 119.74 124.58 2k7j s LYS 51 Ca 0.02 -0.79 0.03 0.00 -1.56 0.00 0.00 55.97 53.67 2k7j s LYS 51 Cb -0.13 -2.55 0.14 0.00 -1.46 0.00 0.00 37.83 33.83 2k7j s LYS 51 CO 0.01 0.56 0.28 -0.51 0.16 0.00 0.00 175.35 175.85 2k7j s LEU 52 N -2.06 3.62 -0.27 5.43 1.43 -0.13 -4.18 118.68 122.52 2k7j s LEU 52 Ca 0.23 -2.94 -0.10 0.00 -1.03 0.00 0.00 54.13 50.29 2k7j s LEU 52 Cb -0.12 -1.36 -0.05 0.00 0.03 0.00 0.00 46.19 44.70 2k7j s LEU 52 CO 0.15 -0.23 0.17 -1.58 0.23 0.00 0.00 176.35 175.09 2k7j s GLN 53 N -0.14 3.95 0.00 1.70 0.74 -0.91 -2.77 119.66 122.23 2k7j s GLN 53 Ca 0.18 -0.33 0.00 0.00 0.05 0.00 0.00 55.36 55.27 2k7j s GLN 53 Cb -0.22 -3.60 0.00 0.00 1.10 0.00 0.00 33.01 30.29 2k7j s GLN 53 CO -0.02 -0.13 0.00 0.41 -0.55 0.00 0.00 175.29 175.00 2k7j n GLY 54 N 4.87 0.06 3.77 2.59 0.00 -0.79 -1.36 105.19 114.32 2k7j n GLY 54 Ca -0.14 -1.64 -0.38 0.00 0.00 0.00 0.00 46.02 43.86 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 4.04 0.40 1.61 0.04 -1.26 -1.06 135.00 136.77 2k7j s PRO 55 Ca 0.00 1.89 0.14 0.00 0.04 0.00 0.00 61.00 63.06 2k7j s PRO 55 Cb 0.00 -2.69 0.83 0.00 0.04 0.00 0.00 34.50 32.68 2k7j s PRO 55 CO 0.00 -0.35 1.89 0.82 0.04 0.00 0.00 177.00 179.40 2k7j h ILE 56 N 2.34 1.20 -0.79 0.56 2.04 -1.47 -1.46 117.51 119.92 2k7j h ILE 56 Ca -0.49 -1.04 0.23 0.00 1.00 0.00 0.00 64.86 64.56 2k7j h ILE 56 Cb 1.24 1.56 -0.03 0.00 -0.74 0.00 0.00 36.82 38.85 2k7j h ILE 56 CO 0.62 0.30 0.57 0.77 0.00 0.00 0.00 178.15 180.41 2k7j h SER 57 N 0.00 0.02 0.00 1.72 4.64 -1.85 0.36 113.55 118.44 2k7j h SER 57 Ca -0.00 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.97 2k7j h SER 57 Cb 0.54 -0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.57 2k7j h SER 57 CO 0.04 0.01 -2.30 0.29 -0.87 0.00 0.00 176.83 174.00 2k7j n LYS 58 N -4.31 0.55 -0.07 4.77 4.01 -1.00 -4.44 118.16 117.68 2k7j n LYS 58 Ca 0.16 0.15 0.19 0.00 -0.51 0.00 0.00 58.31 58.30 2k7j n LYS 58 Cb 0.85 -1.43 0.62 0.00 -0.51 0.00 0.00 35.03 34.56 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 -0.17 0.75 -0.37 -0.18 2.07 -0.86 0.88 116.25 118.37 2k7j h VAL 59 Ca -0.53 -0.05 0.11 0.00 0.82 0.00 0.00 66.70 67.05 2k7j h VAL 59 Cb 1.73 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 32.07 2k7j h VAL 59 CO -0.13 0.03 0.34 0.03 0.02 0.00 0.00 177.57 177.86 2k7j h ARG 60 N 0.16 0.00 0.04 1.57 2.47 -1.15 -0.87 114.38 116.60 2k7j h ARG 60 Ca 0.31 0.00 -0.36 0.00 -1.26 0.00 0.00 59.98 58.66 2k7j h ARG 60 Cb 0.99 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 29.26 2k7j h ARG 60 CO -0.05 0.00 -2.18 0.39 0.56 0.00 0.00 179.97 178.69 2k7j n GLU 61 N -3.94 0.69 -0.20 0.04 -0.58 0.27 -4.24 120.64 112.68 2k7j n GLU 61 Ca 0.06 0.18 0.03 0.00 -0.42 0.00 0.00 57.16 57.02 2k7j n GLU 61 Cb 0.52 -1.63 0.30 0.00 -0.57 0.00 0.00 31.44 30.06 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 0.02 0.86 -0.67 3.49 4.05 -0.89 0.69 114.93 122.49 2k7j h MET 62 Ca -0.48 -0.05 -0.02 0.00 -0.28 0.00 0.00 59.70 58.88 2k7j h MET 62 Cb 2.02 -0.19 -0.03 0.00 -0.80 0.00 0.00 31.60 32.60 2k7j h MET 62 CO 0.02 0.57 0.36 -0.56 0.23 0.00 0.00 176.91 177.52 2k7j h GLN 63 N 0.88 0.93 0.16 0.39 3.07 -1.38 -1.33 115.11 117.83 2k7j h GLN 63 Ca 0.29 -0.10 -0.29 0.00 0.09 0.00 0.00 58.65 58.64 2k7j h GLN 63 Cb 0.07 -0.18 0.01 0.00 0.08 0.00 0.00 27.48 27.46 2k7j h GLN 63 CO -0.09 0.69 -1.32 0.87 0.09 0.00 0.00 178.83 179.07 2k7j h LYS 64 N 0.93 0.35 0.00 0.06 1.79 -1.46 -0.65 116.57 117.59 2k7j h LYS 64 Ca 0.24 -0.60 -0.01 0.00 -2.18 0.00 0.00 60.65 58.10 2k7j h LYS 64 Cb 0.04 0.22 -0.00 0.00 -1.58 0.00 0.00 32.23 30.91 2k7j h LYS 64 CO -0.04 1.28 -0.03 -1.49 -1.08 0.00 0.00 179.45 178.09 2k7j h TRP 65 N 0.10 0.00 0.00 -1.35 4.06 -0.57 0.25 115.95 118.44 2k7j h TRP 65 Ca -0.17 0.00 -0.09 0.00 2.06 0.00 0.00 58.89 60.69 2k7j h TRP 65 Cb 2.03 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 30.17 2k7j h TRP 65 CO 0.08 0.03 -1.90 1.28 -3.56 0.00 0.00 178.44 174.37 2k7j n LEU 66 N -3.20 0.00 -0.02 -4.49 4.77 -0.53 -2.93 117.00 110.60 2k7j n LEU 66 Ca -0.01 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.77 2k7j n LEU 66 Cb 0.24 0.12 -0.13 0.00 -2.33 0.00 0.00 43.42 41.32 2k7j n LEU 66 CO 0.26 0.12 -0.25 -0.08 -1.33 0.00 0.00 177.39 176.11 2k7j h GLU 67 N 0.00 0.16 0.00 3.23 4.81 -0.78 -3.43 114.58 118.57 2k7j h GLU 67 Ca -0.13 -0.27 -0.34 0.00 -0.13 0.00 0.00 59.36 58.48 2k7j h GLU 67 Cb 1.17 0.10 -0.05 0.00 0.63 0.00 0.00 28.75 30.60 2k7j h GLU 67 CO 0.01 1.13 -2.14 0.25 -0.73 0.00 0.00 179.01 177.53 2k7j n THR 68 N -4.17 1.50 -2.20 0.32 -2.24 0.83 -4.71 114.28 103.61 2k7j n THR 68 Ca -0.23 -0.25 -0.27 0.00 -2.27 0.00 0.00 64.05 61.03 2k7j n THR 68 Cb 0.77 -1.99 0.14 0.00 -2.10 0.00 0.00 70.33 67.16 2k7j n THR 68 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2k7j s ARG 69 N -2.60 1.21 0.00 -0.78 1.81 -0.98 -4.88 118.95 112.73 2k7j s ARG 69 Ca -0.36 -0.65 0.00 0.00 -1.72 0.00 0.00 55.73 53.00 2k7j s ARG 69 Cb 0.12 -2.06 0.00 0.00 -0.45 0.00 0.00 34.95 32.56 2k7j s ARG 69 CO 0.47 -1.92 0.00 0.41 -0.68 0.00 0.00 175.30 173.58 2k7j n GLY 70 N -3.32 -0.50 3.88 -3.53 0.00 -1.15 -3.90 105.19 96.67 2k7j n GLY 70 Ca 0.14 -1.03 -0.30 0.00 0.00 0.00 0.00 46.02 44.83 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 -4.00 6.14 0.20 1.61 0.01 -1.25 -4.96 113.70 111.44 2k7j s SER 71 Ca 0.00 1.29 -0.04 0.00 1.31 0.00 0.00 55.95 58.50 2k7j s SER 71 Cb 0.00 -2.36 0.13 0.00 0.21 0.00 0.00 66.02 64.00 2k7j s SER 71 CO 0.00 -0.87 1.55 1.55 0.41 0.00 0.00 173.24 175.88 2k7j h PRO 72 N -0.26 0.67 0.04 12.44 0.13 -2.01 -3.36 132.00 139.65 2k7j h PRO 72 Ca -0.45 -0.35 -0.00 0.00 -0.87 0.00 0.00 66.00 64.33 2k7j h PRO 72 Cb 1.20 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2k7j h PRO 72 CO 0.62 0.96 -0.02 0.93 -0.23 0.00 0.00 178.00 180.27 2k7j h GLU 73 N 0.55 -0.05 -6.02 0.86 4.39 -1.94 -3.42 114.58 108.96 2k7j h GLU 73 Ca 0.04 0.00 -0.47 0.00 0.34 0.00 0.00 59.36 59.27 2k7j h GLU 73 Cb 0.95 0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 29.55 2k7j h GLU 73 CO 0.09 -0.03 1.15 -1.54 -1.16 0.00 0.00 179.01 177.52 2k7j s SER 74 N -4.57 5.67 0.76 1.42 1.04 -1.26 -4.96 113.70 111.81 2k7j s SER 74 Ca -0.01 -0.45 -0.11 0.00 0.48 0.00 0.00 55.95 55.86 2k7j s SER 74 Cb 0.00 -2.55 0.05 0.00 0.10 0.00 0.00 66.02 63.62 2k7j s SER 74 CO 0.02 -2.19 1.09 -2.28 0.98 0.00 0.00 173.24 170.87 2k7j s HIS 75 N 7.81 3.01 -0.25 5.02 2.46 -1.26 -3.96 115.29 128.12 2k7j s HIS 75 Ca 0.57 1.14 -0.01 0.00 0.47 0.00 0.00 55.06 57.22 2k7j s HIS 75 Cb -0.08 -3.09 0.07 0.00 -0.13 0.00 0.00 32.58 29.36 2k7j s HIS 75 CO 0.08 -1.54 0.04 0.42 -2.47 0.00 0.00 174.74 171.26 2k7j s ILE 76 N -3.21 0.92 0.07 0.89 1.01 -1.26 -2.87 121.20 116.75 2k7j s ILE 76 Ca 0.60 -1.04 -0.08 0.00 0.00 0.00 0.00 60.65 60.13 2k7j s ILE 76 Cb -0.13 -1.46 -0.28 0.00 0.01 0.00 0.00 42.46 40.59 2k7j s ILE 76 CO 0.54 -0.35 1.14 -0.78 0.00 0.00 0.00 174.94 175.48 2k7j h ASP 77 N 8.11 0.58 -5.03 3.58 3.58 -1.90 -3.48 116.42 121.87 2k7j h ASP 77 Ca -0.15 -0.59 0.07 0.00 0.42 0.00 0.00 57.03 56.78 2k7j h ASP 77 Cb 1.07 -0.19 -0.06 0.00 1.72 0.00 0.00 39.33 41.87 2k7j h ASP 77 CO 0.40 1.44 0.26 -1.59 -2.88 0.00 0.00 179.24 176.87 2k7j s LYS 78 N -2.78 1.64 0.35 0.28 -2.85 -1.26 -5.02 119.74 110.09 2k7j s LYS 78 Ca -0.06 -0.87 -0.08 0.00 -1.00 0.00 0.00 55.97 53.96 2k7j s LYS 78 Cb 0.07 0.58 0.02 0.00 -2.06 0.00 0.00 37.83 36.44 2k7j s LYS 78 CO 0.90 -0.75 0.57 0.00 0.10 0.00 0.00 175.35 176.18 2k7j s ALA 79 N -3.82 0.18 -0.24 0.59 0.00 -1.26 -2.63 121.76 114.58 2k7j s ALA 79 Ca 0.10 -1.20 -0.30 0.00 0.00 0.00 0.00 51.96 50.56 2k7j s ALA 79 Cb -0.05 1.00 0.17 0.00 0.00 0.00 0.00 23.12 24.24 2k7j s ALA 79 CO 0.03 -0.86 1.23 1.21 0.00 0.00 0.00 175.76 177.37 2k7j s ASN 80 N -3.16 -0.16 0.30 0.00 3.84 -1.26 -4.99 114.94 109.51 2k7j s ASN 80 Ca 0.25 0.17 0.07 0.00 0.21 0.00 0.00 52.86 53.55 2k7j s ASN 80 Cb -0.02 0.13 -0.03 0.00 -0.55 0.00 0.00 41.25 40.79 2k7j s ASN 80 CO 0.16 -0.15 0.32 0.72 -2.79 0.00 0.00 177.10 175.36 2k7j s PHE 81 N -1.11 3.08 0.00 0.43 -0.12 -1.26 -4.35 117.98 114.65 2k7j s PHE 81 Ca 0.05 -0.20 0.00 0.00 -0.05 0.00 0.00 56.93 56.74 2k7j s PHE 81 Cb -0.01 -1.71 0.00 0.00 -0.63 0.00 0.00 43.02 40.68 2k7j s PHE 81 CO -0.04 0.27 0.00 1.63 -0.05 0.00 0.00 175.22 177.02 2k7j n LYS 82 N -1.39 0.00 -3.37 1.99 5.02 -1.19 -5.04 118.16 114.18 2k7j n LYS 82 Ca -0.04 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.27 2k7j n LYS 82 Cb 0.59 -0.34 -0.04 0.00 -0.02 0.00 0.00 35.03 35.22 2k7j n LYS 82 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 2k7j s ASN 83 N -3.24 -0.50 0.71 4.39 3.84 -1.26 -5.08 114.94 113.79 2k7j s ASN 83 Ca 0.00 0.69 -0.11 0.00 0.21 0.00 0.00 52.86 53.65 2k7j s ASN 83 Cb 0.00 1.57 0.02 0.00 -0.55 0.00 0.00 41.25 42.29 2k7j s ASN 83 CO 0.00 -0.10 1.07 -1.83 -2.79 0.00 0.00 177.10 173.45 2k7j s GLU 84 N 2.38 2.82 -0.22 0.43 -1.05 -1.26 -4.41 118.70 117.39 2k7j s GLU 84 Ca -0.02 1.00 -0.03 0.00 -0.15 0.00 0.00 54.97 55.77 2k7j s GLU 84 Cb -0.05 -1.97 0.07 0.00 -0.44 0.00 0.00 34.13 31.74 2k7j s GLU 84 CO -0.17 -1.19 0.07 0.21 0.95 0.00 0.00 175.26 175.13 2k7j s LYS 85 N -5.00 0.41 -0.24 -4.83 2.47 -0.33 -4.92 119.74 107.30 2k7j s LYS 85 Ca 0.59 -0.43 -0.28 0.00 -1.56 0.00 0.00 55.97 54.29 2k7j s LYS 85 Cb -0.15 -1.85 -0.04 0.00 -1.46 0.00 0.00 37.83 34.33 2k7j s LYS 85 CO 0.55 -0.76 1.97 0.08 0.16 0.00 0.00 175.35 177.34 2k7j s VAL 86 N 1.95 3.27 0.55 4.02 1.01 -1.26 -1.68 120.40 128.25 2k7j s VAL 86 Ca 0.03 0.29 0.05 0.00 0.00 0.00 0.00 61.98 62.34 2k7j s VAL 86 Cb -0.17 -3.34 0.04 0.00 0.00 0.00 0.00 36.38 32.91 2k7j s VAL 86 CO -0.15 -0.19 0.36 0.27 0.00 0.00 0.00 175.10 175.39 2k7j s ILE 87 N 7.09 1.55 -0.09 2.22 -4.36 -0.62 -4.98 121.20 122.01 2k7j s ILE 87 Ca 0.88 -1.55 0.13 0.00 -0.26 0.00 0.00 60.65 59.85 2k7j s ILE 87 Cb -0.29 -2.10 -0.19 0.00 1.25 0.00 0.00 42.46 41.13 2k7j s ILE 87 CO 0.34 0.00 0.15 0.18 0.24 0.00 0.00 174.94 175.86 2k7j n LEU 88 N -1.73 0.00 -3.92 0.37 4.77 -1.26 -4.51 117.00 110.72 2k7j n LEU 88 Ca -0.04 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.86 2k7j n LEU 88 Cb 0.65 0.20 -0.08 0.00 -2.33 0.00 0.00 43.42 41.86 2k7j n LEU 88 CO 0.38 0.20 -0.17 -0.54 -1.33 0.00 0.00 177.39 175.93 2k7j s LYS 89 N -2.59 0.75 0.05 3.23 1.02 -1.26 -4.99 119.74 115.95 2k7j s LYS 89 Ca -0.06 -0.99 -0.07 0.00 0.02 0.00 0.00 55.97 54.87 2k7j s LYS 89 Cb 0.06 0.30 -0.05 0.00 -0.52 0.00 0.00 37.83 37.62 2k7j s LYS 89 CO 0.57 -0.21 0.32 -0.51 -0.92 0.00 0.00 175.35 174.60 2k7j s LEU 90 N -2.77 4.35 0.17 3.17 1.43 -1.26 -5.00 118.68 118.77 2k7j s LEU 90 Ca 0.04 0.62 0.13 0.00 -1.03 0.00 0.00 54.13 53.89 2k7j s LEU 90 Cb 0.05 -2.88 -0.06 0.00 0.03 0.00 0.00 46.19 43.33 2k7j s LEU 90 CO -0.10 0.19 1.21 0.44 0.23 0.00 0.00 176.35 178.32 2k7j h ASP 91 N 3.69 0.00 -1.82 2.29 3.32 -2.00 -3.46 116.42 118.43 2k7j h ASP 91 Ca -0.49 0.00 -0.46 0.00 0.02 0.00 0.00 57.03 56.10 2k7j h ASP 91 Cb 1.19 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.72 2k7j h ASP 91 CO 0.68 0.66 -0.39 -0.31 -1.72 0.00 0.00 179.24 178.16 2k7j s TYR 92 N -2.87 3.02 -0.05 4.55 2.02 -1.26 -5.04 117.35 117.72 2k7j s TYR 92 Ca 0.01 -0.26 0.06 0.00 -0.37 0.00 0.00 57.07 56.51 2k7j s TYR 92 Cb 0.08 -1.90 -0.08 0.00 -0.40 0.00 0.00 41.96 39.66 2k7j s TYR 92 CO 0.78 0.08 0.05 0.45 -1.57 0.00 0.00 175.55 175.34 2k7j n SER 93 N -1.52 3.55 -3.66 2.29 2.88 -1.26 -5.01 113.62 110.89 2k7j n SER 93 Ca -0.01 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.40 2k7j n SER 93 Cb 0.59 0.80 -0.08 0.00 -0.75 0.00 0.00 64.21 64.77 2k7j n SER 93 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 2k7j s ASP 94 N -3.48 -0.68 0.16 -3.46 1.47 -1.26 -4.96 116.67 104.46 2k7j s ASP 94 Ca -0.03 1.26 -0.34 0.00 1.18 0.00 0.00 52.55 54.63 2k7j s ASP 94 Cb 0.02 1.25 -0.15 0.00 -0.34 0.00 0.00 42.92 43.71 2k7j s ASP 94 CO 0.25 -0.22 1.41 0.33 0.68 0.00 0.00 175.17 177.62 2k7j n PHE 95 N 3.05 1.88 -4.26 2.11 -0.00 -1.26 -4.66 117.46 114.33 2k7j n PHE 95 Ca -0.15 0.47 -0.14 0.00 -0.00 0.00 0.00 57.45 57.63 2k7j n PHE 95 Cb 0.56 -2.42 -0.10 0.00 -0.00 0.00 0.00 39.48 37.52 2k7j n PHE 95 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.76 175.62 2k7j s GLN 96 N 0.29 1.09 -0.20 -4.13 2.00 -1.25 -4.95 119.66 112.51 2k7j s GLN 96 Ca 0.77 -1.47 -0.09 0.00 -2.00 0.00 0.00 55.36 52.57 2k7j s GLN 96 Cb -0.78 -0.62 -0.04 0.00 0.80 0.00 0.00 33.01 32.36 2k7j s GLN 96 CO 0.45 0.06 0.10 0.42 -0.50 0.00 0.00 175.29 175.82 2k7j s ILE 97 N -3.33 5.08 -0.01 -2.34 1.01 -1.26 -3.82 121.20 116.52 2k7j s ILE 97 Ca 0.18 0.07 -0.30 0.00 0.00 0.00 0.00 60.65 60.60 2k7j s ILE 97 Cb 0.03 -3.32 -0.04 0.00 0.01 0.00 0.00 42.46 39.14 2k7j s ILE 97 CO 0.01 0.43 1.17 -0.69 0.00 0.00 0.00 174.94 175.86 2k7j s VAL 98 N 0.52 4.26 -1.33 2.92 1.01 -1.20 -4.98 120.40 121.60 2k7j s VAL 98 Ca 0.06 1.60 0.00 0.00 0.00 0.00 0.00 61.98 63.64 2k7j s VAL 98 Cb -0.12 -4.03 0.00 0.00 0.00 0.00 0.00 36.38 32.23 2k7j s VAL 98 CO 0.00 0.06 0.33 2.29 0.00 0.00 0.00 175.10 177.78