#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 1.23 0.17 4.61 0.00 -1.26 -5.18 121.76 121.34 2k7j s ALA 2 Ca 0.00 -1.68 -0.06 0.00 0.00 0.00 0.00 51.96 50.22 2k7j s ALA 2 Cb 0.00 1.16 -0.02 0.00 0.00 0.00 0.00 23.12 24.26 2k7j s ALA 2 CO 0.00 -0.52 0.24 -1.21 0.00 0.00 0.00 175.76 174.26 2k7j s GLU 3 N -4.10 1.17 0.00 0.00 2.02 -1.26 -5.08 118.70 111.46 2k7j s GLU 3 Ca 0.35 -1.32 0.00 0.00 0.02 0.00 0.00 54.97 54.02 2k7j s GLU 3 Cb 0.07 0.34 0.00 0.00 0.10 0.00 0.00 34.13 34.65 2k7j s GLU 3 CO 0.10 -0.41 0.00 0.41 0.02 0.00 0.00 175.26 175.37 2k7j n GLY 4 N -0.22 -0.76 2.57 -1.39 0.00 -1.26 -4.80 105.19 99.32 2k7j n GLY 4 Ca -0.05 -0.63 -0.37 0.00 0.00 0.00 0.00 46.02 44.98 2k7j n GLY 4 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2k7j n ASN 5 N -0.00 7.42 -3.63 1.61 4.13 -1.26 -4.80 115.26 118.73 2k7j n ASN 5 Ca 0.00 -3.35 -0.15 0.00 1.68 0.00 0.00 54.58 52.76 2k7j n ASN 5 Cb 0.00 -1.25 -0.14 0.00 -1.54 0.00 0.00 39.78 36.85 2k7j n ASN 5 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 2k7j s THR 6 N -2.55 -0.37 0.07 3.41 2.01 -1.26 -5.09 115.64 111.87 2k7j s THR 6 Ca 0.52 0.23 0.03 0.00 0.31 0.00 0.00 61.69 62.78 2k7j s THR 6 Cb 0.27 -0.45 -0.04 0.00 0.01 0.00 0.00 72.50 72.29 2k7j s THR 6 CO -0.18 0.07 0.08 -0.76 -0.69 0.00 0.00 174.62 173.14 2k7j s LEU 7 N 2.38 3.80 0.00 4.42 1.43 -1.26 -0.19 118.68 129.25 2k7j s LEU 7 Ca 0.03 -0.00 -0.03 0.00 -1.03 0.00 0.00 54.13 53.10 2k7j s LEU 7 Cb -0.13 -2.46 0.01 0.00 0.03 0.00 0.00 46.19 43.64 2k7j s LEU 7 CO -0.09 0.18 0.39 2.30 0.23 0.00 0.00 176.35 179.37 2k7j n ILE 8 N 0.52 0.00 -3.49 -0.59 -5.35 -0.18 -3.11 119.36 107.15 2k7j n ILE 8 Ca -0.09 -1.25 -0.02 0.00 -0.27 0.00 0.00 62.75 61.13 2k7j n ILE 8 Cb 0.52 0.80 -0.05 0.00 -1.74 0.00 0.00 39.64 39.17 2k7j n ILE 8 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 2k7j s SER 9 N -2.60 -0.89 -0.03 7.28 1.04 -0.72 -2.45 113.70 115.34 2k7j s SER 9 Ca 0.20 1.14 0.04 0.00 0.48 0.00 0.00 55.95 57.81 2k7j s SER 9 Cb -0.01 1.96 -0.00 0.00 0.10 0.00 0.00 66.02 68.06 2k7j s SER 9 CO 0.15 -0.24 -0.14 0.54 0.98 0.00 0.00 173.24 174.52 2k7j s VAL 10 N 2.80 1.18 -0.00 5.02 0.11 -1.16 -0.12 120.40 128.22 2k7j s VAL 10 Ca 0.04 -0.59 0.08 0.00 -2.93 0.00 0.00 61.98 58.58 2k7j s VAL 10 Cb -0.13 -1.02 -0.02 0.00 -1.53 0.00 0.00 36.38 33.68 2k7j s VAL 10 CO -0.18 0.35 -0.24 1.51 -3.33 0.00 0.00 175.10 173.20 2k7j s ASP 11 N 0.04 2.87 0.24 3.54 -4.77 -1.26 -0.12 116.67 117.20 2k7j s ASP 11 Ca -0.02 -0.47 -0.22 0.00 -3.30 0.00 0.00 52.55 48.54 2k7j s ASP 11 Cb -0.10 -0.30 0.04 0.00 -1.09 0.00 0.00 42.92 41.46 2k7j s ASP 11 CO 0.01 0.28 0.77 -0.72 0.70 0.00 0.00 175.17 176.21 2k7j s TYR 12 N -0.62 -0.21 -0.59 2.11 -0.85 -0.75 -3.76 117.35 112.68 2k7j s TYR 12 Ca 0.10 -0.19 0.04 0.00 -0.52 0.00 0.00 57.07 56.50 2k7j s TYR 12 Cb -0.09 0.68 0.15 0.00 0.38 0.00 0.00 41.96 43.07 2k7j s TYR 12 CO -0.00 -1.10 0.35 -1.83 -1.52 0.00 0.00 175.55 171.45 2k7j s GLU 13 N -3.75 2.13 0.42 -3.49 -1.05 -1.26 -1.95 118.70 109.76 2k7j s GLU 13 Ca 0.10 -2.89 -0.24 0.00 -0.15 0.00 0.00 54.97 51.80 2k7j s GLU 13 Cb -0.04 -3.30 -0.11 0.00 -0.44 0.00 0.00 34.13 30.23 2k7j s GLU 13 CO 0.04 -1.18 0.93 -0.89 0.95 0.00 0.00 175.26 175.11 2k7j n ILE 14 N 2.67 2.38 -2.19 1.83 2.08 -1.19 -4.62 119.36 120.31 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 0.33 -1.04 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 -0.58 -3.35 0.00 1.39 3.72 -1.15 -2.33 117.46 115.15 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 1.35 2.34 1.37 0.00 -1.26 -4.52 105.19 109.46 2k7j n GLY 16 Ca 0.00 -2.14 -0.34 0.00 0.00 0.00 0.00 46.02 43.54 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 0.11 3.31 -1.07 1.61 2.85 0.30 -4.62 118.16 120.65 2k7j n LYS 17 Ca 0.00 -1.98 -0.24 0.00 -1.05 0.00 0.00 58.31 55.03 2k7j n LYS 17 Cb 0.00 -2.68 0.06 0.00 -0.65 0.00 0.00 35.03 31.76 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 3.61 3.11 -4.32 0.58 0.24 -1.26 -4.01 118.33 116.27 2k7j n VAL 18 Ca 0.70 -2.14 -0.24 0.00 -2.04 0.00 0.00 64.34 60.62 2k7j n VAL 18 Cb 0.26 -1.19 -0.12 0.00 -1.47 0.00 0.00 33.84 31.31 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 -2.69 1.22 -1.27 7.34 -0.21 -1.26 -4.71 119.66 118.09 2k7j s GLN 19 Ca 0.46 -1.27 0.00 0.00 0.02 0.00 0.00 55.36 54.56 2k7j s GLN 19 Cb 0.36 -1.47 0.00 0.00 1.00 0.00 0.00 33.01 32.90 2k7j s GLN 19 CO 0.00 0.33 0.00 0.41 -2.12 0.00 0.00 175.29 173.91 2k7j n GLY 20 N 0.81 0.07 2.34 3.09 0.00 -1.26 -4.92 105.19 105.31 2k7j n GLY 20 Ca -0.17 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.66 2k7j n GLY 20 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2k7j n VAL 21 N -3.00 0.00 -1.72 1.61 0.24 -1.26 -5.06 118.33 109.14 2k7j n VAL 21 Ca -0.16 -1.62 -0.30 0.00 -2.04 0.00 0.00 64.34 60.22 2k7j n VAL 21 Cb 0.57 0.51 0.05 0.00 -1.47 0.00 0.00 33.84 33.50 2k7j n VAL 21 CO 0.00 0.00 0.00 0.33 -2.14 0.00 0.00 176.83 175.02 2k7j n PHE 22 N -0.69 3.01 -0.06 6.34 7.35 -1.26 -4.74 117.46 127.41 2k7j n PHE 22 Ca -0.07 -2.63 0.21 0.00 -0.76 0.00 0.00 57.45 54.20 2k7j n PHE 22 Cb 0.42 -0.87 0.66 0.00 0.35 0.00 0.00 39.48 40.05 2k7j n PHE 22 CO 0.00 0.00 0.00 0.27 -0.76 0.00 0.00 176.76 176.27 2k7j h PHE 23 N 2.14 0.08 -3.38 -5.13 -5.15 -1.97 -3.42 116.94 100.11 2k7j h PHE 23 Ca 0.48 0.00 -0.41 0.00 -0.20 0.00 0.00 57.97 57.84 2k7j h PHE 23 Cb 1.13 -0.03 0.20 0.00 0.22 0.00 0.00 35.95 37.47 2k7j h PHE 23 CO 1.13 0.03 0.05 0.50 -2.00 0.00 0.00 178.31 178.02 2k7j s ARG 24 N -5.08 -1.43 -1.43 6.09 3.52 -1.26 -3.64 118.95 115.72 2k7j s ARG 24 Ca -0.06 0.22 0.00 0.00 -0.13 0.00 0.00 55.73 55.76 2k7j s ARG 24 Cb 0.20 -1.55 0.00 0.00 -1.56 0.00 0.00 34.95 32.05 2k7j s ARG 24 CO 0.75 -3.91 0.00 1.17 -0.81 0.00 0.00 175.30 172.49 2k7j n LYS 25 N -4.95 -1.36 0.00 5.12 4.81 -1.26 -4.73 118.16 115.79 2k7j n LYS 25 Ca 0.10 0.96 0.00 0.00 -0.87 0.00 0.00 58.31 58.50 2k7j n LYS 25 Cb 0.58 -5.22 0.00 0.00 0.02 0.00 0.00 35.03 30.41 2k7j n LYS 25 CO 0.00 0.00 0.00 1.58 1.17 0.00 0.00 177.40 180.15 2k7j n HIS 26 N -2.40 0.00 0.14 5.64 -0.00 -1.24 -4.74 115.22 112.62 2k7j n HIS 26 Ca -0.14 0.00 0.02 0.00 0.46 0.00 0.00 57.72 58.06 2k7j n HIS 26 Cb 0.55 0.03 0.12 0.00 -0.12 0.00 0.00 29.99 30.57 2k7j n HIS 26 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2k7j h THR 27 N 0.00 1.05 0.00 3.57 1.03 -1.85 -1.83 112.91 114.88 2k7j h THR 27 Ca 0.00 -2.18 -0.04 0.00 -0.01 0.00 0.00 66.41 64.18 2k7j h THR 27 Cb 0.75 2.31 -0.01 0.00 -1.07 0.00 0.00 68.15 70.14 2k7j h THR 27 CO 0.00 0.54 -0.19 0.06 -0.01 0.00 0.00 175.52 175.92 2k7j h GLN 28 N 0.00 0.00 0.00 0.00 3.07 -1.92 -0.42 115.11 115.85 2k7j h GLN 28 Ca -0.01 0.00 -0.32 0.00 0.09 0.00 0.00 58.65 58.41 2k7j h GLN 28 Cb 1.27 0.00 -0.06 0.00 0.08 0.00 0.00 27.48 28.77 2k7j h GLN 28 CO 0.07 0.19 -2.31 0.00 0.09 0.00 0.00 178.83 176.87 2k7j n ALA 29 N -2.34 1.66 0.07 0.06 0.00 -1.18 -3.82 120.51 114.97 2k7j n ALA 29 Ca -0.02 -1.21 -0.08 0.00 0.00 0.00 0.00 53.44 52.13 2k7j n ALA 29 Cb 0.29 -0.28 0.05 0.00 0.00 0.00 0.00 19.45 19.51 2k7j n ALA 29 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2k7j h GLU 30 N 0.00 0.29 0.00 0.00 4.57 -1.16 -2.92 114.58 115.36 2k7j h GLU 30 Ca -0.47 -0.24 -0.10 0.00 -1.18 0.00 0.00 59.36 57.37 2k7j h GLU 30 Cb 2.09 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 30.71 2k7j h GLU 30 CO 0.03 0.90 -0.51 0.78 -1.18 0.00 0.00 179.01 179.02 2k7j h GLY 31 N 1.50 0.00 1.74 1.92 0.00 -1.27 -3.27 103.07 103.69 2k7j h GLY 31 Ca -0.03 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.12 2k7j h GLY 31 CO 0.12 0.00 -0.81 0.50 0.00 0.00 0.00 176.54 176.34 2k7j h LYS 32 N 0.00 0.24 0.00 4.80 1.79 -1.65 -1.67 116.57 120.09 2k7j h LYS 32 Ca -0.01 -0.23 -0.01 0.00 -2.18 0.00 0.00 60.65 58.22 2k7j h LYS 32 Cb 1.37 0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 32.08 2k7j h LYS 32 CO 0.06 0.93 -0.05 0.87 -1.08 0.00 0.00 179.45 180.18 2k7j h LYS 33 N 0.15 0.00 0.00 3.15 1.57 -1.57 -3.16 116.57 116.71 2k7j h LYS 33 Ca -0.04 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.57 2k7j h LYS 33 Cb 1.41 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.70 2k7j h LYS 33 CO 0.13 0.05 -1.20 1.28 -0.57 0.00 0.00 179.45 179.14 2k7j n LEU 34 N -4.00 1.87 0.00 2.94 4.77 -1.17 -5.05 117.00 116.36 2k7j n LEU 34 Ca -0.03 0.47 0.00 0.00 -0.03 0.00 0.00 56.01 56.42 2k7j n LEU 34 Cb 0.14 -0.90 0.00 0.00 -2.33 0.00 0.00 43.42 40.33 2k7j n LEU 34 CO 0.30 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 2k7j n GLY 35 N 1.46 0.48 3.21 -0.72 0.00 -0.70 -5.02 105.19 103.91 2k7j n GLY 35 Ca -0.26 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.56 2k7j n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k7j s LEU 36 N 0.00 2.32 0.00 0.99 1.43 -0.76 -4.45 118.68 118.21 2k7j s LEU 36 Ca 0.00 -0.69 0.01 0.00 -1.03 0.00 0.00 54.13 52.42 2k7j s LEU 36 Cb 0.00 -0.60 0.01 0.00 0.03 0.00 0.00 46.19 45.63 2k7j s LEU 36 CO 0.00 -0.07 0.05 1.33 0.23 0.00 0.00 176.35 177.89 2k7j n VAL 37 N 1.03 0.00 0.00 -1.59 0.24 0.36 -4.06 118.33 114.30 2k7j n VAL 37 Ca -0.19 -1.74 0.00 0.00 -2.04 0.00 0.00 64.34 60.37 2k7j n VAL 37 Cb 0.55 0.27 0.00 0.00 -1.47 0.00 0.00 33.84 33.19 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 0.47 0.38 3.46 7.63 0.00 -1.26 -2.51 105.19 113.36 2k7j n GLY 38 Ca -0.13 -1.51 -0.15 0.00 0.00 0.00 0.00 46.02 44.22 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 -2.80 -0.56 -0.06 1.61 -2.14 -1.26 -3.16 118.94 110.57 2k7j s TRP 39 Ca 0.00 0.75 0.01 0.00 2.66 0.00 0.00 56.10 59.52 2k7j s TRP 39 Cb 0.00 0.42 0.02 0.00 -3.10 0.00 0.00 33.47 30.81 2k7j s TRP 39 CO 0.00 -0.67 -0.05 0.54 -2.66 0.00 0.00 176.95 174.11 2k7j s VAL 40 N -2.09 0.66 -0.06 -0.66 0.11 -1.25 -3.86 120.40 113.25 2k7j s VAL 40 Ca -0.07 -0.16 -0.20 0.00 -2.93 0.00 0.00 61.98 58.62 2k7j s VAL 40 Cb -0.01 -0.69 0.04 0.00 -1.53 0.00 0.00 36.38 34.20 2k7j s VAL 40 CO 0.02 0.27 0.46 -1.58 -3.33 0.00 0.00 175.10 170.94 2k7j s GLN 41 N 1.15 0.77 0.97 1.54 0.74 -1.23 -3.23 119.66 120.37 2k7j s GLN 41 Ca -0.07 0.13 -0.15 0.00 0.05 0.00 0.00 55.36 55.32 2k7j s GLN 41 Cb -0.14 0.36 0.18 0.00 1.10 0.00 0.00 33.01 34.51 2k7j s GLN 41 CO -0.01 -0.20 1.21 0.54 -0.55 0.00 0.00 175.29 176.27 2k7j s ASN 42 N -0.95 3.02 0.02 6.67 4.22 -1.26 -1.97 114.94 124.68 2k7j s ASN 42 Ca -0.10 0.62 0.00 0.00 -2.14 0.00 0.00 52.86 51.25 2k7j s ASN 42 Cb -0.03 -0.93 -0.02 0.00 1.28 0.00 0.00 41.25 41.55 2k7j s ASN 42 CO 0.05 -2.83 -0.03 0.42 -2.04 0.00 0.00 177.10 172.68 2k7j s THR 43 N -3.49 0.14 0.47 0.54 -4.23 -0.75 -4.74 115.64 103.58 2k7j s THR 43 Ca 0.69 -0.77 0.13 0.00 -1.18 0.00 0.00 61.69 60.56 2k7j s THR 43 Cb -0.09 -0.26 0.29 0.00 1.34 0.00 0.00 72.50 73.78 2k7j s THR 43 CO 0.53 -0.40 2.07 0.44 -0.54 0.00 0.00 174.62 176.73 2k7j h ASP 44 N 4.90 0.24 -0.22 3.99 3.32 -1.99 -1.07 116.42 125.58 2k7j h ASP 44 Ca -0.31 -0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.70 2k7j h ASP 44 Cb 1.21 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.69 2k7j h ASP 44 CO 0.43 0.16 0.05 -0.09 -1.72 0.00 0.00 179.24 178.07 2k7j h ARG 45 N 0.27 0.45 0.00 3.56 1.12 -2.04 -3.46 114.38 114.28 2k7j h ARG 45 Ca 0.12 -0.07 0.00 0.00 -1.11 0.00 0.00 59.98 58.92 2k7j h ARG 45 Cb 0.15 -0.08 0.00 0.00 -0.01 0.00 0.00 29.97 30.04 2k7j h ARG 45 CO -0.03 0.44 0.00 0.41 -3.11 0.00 0.00 179.97 177.68 2k7j n GLY 46 N -1.08 0.80 3.36 2.80 0.00 -0.41 -5.15 105.19 105.51 2k7j n GLY 46 Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.53 0.07 -0.71 2.61 -4.23 -1.25 -4.64 115.64 106.96 2k7j s THR 47 Ca 0.00 -0.84 -0.16 0.00 -1.18 0.00 0.00 61.69 59.51 2k7j s THR 47 Cb 0.00 -1.41 0.17 0.00 1.34 0.00 0.00 72.50 72.60 2k7j s THR 47 CO 0.00 -0.30 0.71 -0.69 -0.54 0.00 0.00 174.62 173.80 2k7j s VAL 48 N -3.86 5.29 -0.70 2.29 1.01 -0.99 -1.81 120.40 121.64 2k7j s VAL 48 Ca 0.07 -1.87 -0.26 0.00 0.00 0.00 0.00 61.98 59.92 2k7j s VAL 48 Cb 0.02 -4.46 -0.00 0.00 0.00 0.00 0.00 36.38 31.93 2k7j s VAL 48 CO -0.07 -1.04 1.68 -1.10 0.00 0.00 0.00 175.10 174.56 2k7j s GLN 49 N 1.22 2.84 0.06 2.72 -0.21 -0.83 -3.16 119.66 122.30 2k7j s GLN 49 Ca 0.14 0.17 -0.05 0.00 0.02 0.00 0.00 55.36 55.64 2k7j s GLN 49 Cb -0.18 -4.45 -0.02 0.00 1.00 0.00 0.00 33.01 29.36 2k7j s GLN 49 CO -0.03 -2.60 0.09 0.20 -2.12 0.00 0.00 175.29 170.83 2k7j s GLY 50 N 6.65 0.25 0.42 3.09 0.00 -0.82 -3.47 107.32 113.43 2k7j s GLY 50 Ca 0.57 -0.82 0.03 0.00 0.00 0.00 0.00 44.72 44.50 2k7j s GLY 50 CO 0.15 -0.97 0.06 -1.59 0.00 0.00 0.00 173.10 170.75 2k7j s LYS 51 N -3.65 1.96 -0.35 2.90 -2.85 -1.25 -1.81 119.74 114.70 2k7j s LYS 51 Ca 0.04 -2.19 -0.00 0.00 -1.00 0.00 0.00 55.97 52.82 2k7j s LYS 51 Cb 0.05 -1.09 0.11 0.00 -2.06 0.00 0.00 37.83 34.84 2k7j s LYS 51 CO -0.09 -0.33 0.14 -0.51 0.10 0.00 0.00 175.35 174.66 2k7j s LEU 52 N -3.68 2.17 -0.36 2.77 1.43 0.83 -4.65 118.68 117.19 2k7j s LEU 52 Ca 0.22 -1.93 -0.13 0.00 -1.03 0.00 0.00 54.13 51.27 2k7j s LEU 52 Cb 0.04 -0.84 -0.00 0.00 0.03 0.00 0.00 46.19 45.42 2k7j s LEU 52 CO 0.12 -0.37 0.24 -1.10 0.23 0.00 0.00 176.35 175.47 2k7j s GLN 53 N 1.27 3.29 0.00 1.70 -0.21 -1.04 -2.99 119.66 121.68 2k7j s GLN 53 Ca 0.13 -0.78 0.00 0.00 0.02 0.00 0.00 55.36 54.72 2k7j s GLN 53 Cb -0.20 -3.82 0.00 0.00 1.00 0.00 0.00 33.01 29.99 2k7j s GLN 53 CO -0.17 -0.54 0.00 0.41 -2.12 0.00 0.00 175.29 172.87 2k7j n GLY 54 N 5.10 -1.02 3.76 3.09 0.00 -1.02 -0.49 105.19 114.61 2k7j n GLY 54 Ca -0.12 -1.03 -0.41 0.00 0.00 0.00 0.00 46.02 44.46 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 -1.33 4.46 0.49 1.61 0.04 -1.26 -1.02 135.00 138.00 2k7j s PRO 55 Ca 0.00 2.06 0.15 0.00 0.04 0.00 0.00 61.00 63.25 2k7j s PRO 55 Cb 0.00 -3.12 1.18 0.00 0.04 0.00 0.00 34.50 32.60 2k7j s PRO 55 CO 0.00 -0.04 2.10 0.82 0.04 0.00 0.00 177.00 179.92 2k7j h ILE 56 N 3.08 0.98 -0.39 0.56 2.04 -0.90 -0.19 117.51 122.69 2k7j h ILE 56 Ca -0.48 -0.05 0.11 0.00 1.00 0.00 0.00 64.86 65.44 2k7j h ILE 56 Cb 1.22 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 38.10 2k7j h ILE 56 CO 0.66 0.03 0.34 -1.28 0.00 0.00 0.00 178.15 177.90 2k7j h SER 57 N 0.15 0.00 0.00 1.72 0.87 -1.87 -2.04 113.55 112.38 2k7j h SER 57 Ca 0.09 0.00 -0.27 0.00 -1.23 0.00 0.00 61.79 60.38 2k7j h SER 57 Cb 0.17 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.08 2k7j h SER 57 CO -0.01 0.00 -2.03 0.29 -0.53 0.00 0.00 176.83 174.55 2k7j n LYS 58 N -4.05 1.48 0.01 2.24 4.01 -0.43 -4.44 118.16 116.99 2k7j n LYS 58 Ca 0.06 0.00 0.19 0.00 -0.51 0.00 0.00 58.31 58.06 2k7j n LYS 58 Cb 0.52 -1.38 0.68 0.00 -0.51 0.00 0.00 35.03 34.33 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 0.76 0.00 -0.18 2.07 -0.40 0.26 116.25 118.76 2k7j h VAL 59 Ca -0.41 -0.01 -0.05 0.00 0.82 0.00 0.00 66.70 67.06 2k7j h VAL 59 Cb 1.90 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 32.39 2k7j h VAL 59 CO 0.01 0.00 -0.25 0.03 0.02 0.00 0.00 177.57 177.39 2k7j h ARG 60 N 0.02 0.00 0.08 1.57 2.47 -1.65 -1.98 114.38 114.89 2k7j h ARG 60 Ca 0.24 0.00 -0.32 0.00 -1.26 0.00 0.00 59.98 58.64 2k7j h ARG 60 Cb 0.93 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.23 2k7j h ARG 60 CO -0.01 0.25 -1.73 0.93 0.56 0.00 0.00 179.97 179.97 2k7j h GLU 61 N 0.00 0.18 -0.32 0.04 5.08 -0.78 -3.32 114.58 115.46 2k7j h GLU 61 Ca -0.00 -0.30 -0.10 0.00 -1.00 0.00 0.00 59.36 57.96 2k7j h GLU 61 Cb 0.59 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 2k7j h GLU 61 CO 0.03 0.96 -0.20 1.98 -1.00 0.00 0.00 179.01 180.78 2k7j h MET 62 N 0.05 0.60 -0.01 2.33 4.05 -1.13 0.56 114.93 121.37 2k7j h MET 62 Ca -0.31 -0.22 -0.07 0.00 -0.28 0.00 0.00 59.70 58.82 2k7j h MET 62 Cb 2.02 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 32.77 2k7j h MET 62 CO 0.11 0.76 -0.32 -0.56 0.23 0.00 0.00 176.91 177.13 2k7j h GLN 63 N 0.53 0.02 0.08 0.39 3.07 -1.50 -2.37 115.11 115.33 2k7j h GLN 63 Ca 0.08 -0.01 -0.31 0.00 0.09 0.00 0.00 58.65 58.51 2k7j h GLN 63 Cb 0.64 -0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.18 2k7j h GLN 63 CO 0.05 0.34 -1.63 -0.22 0.09 0.00 0.00 178.83 177.46 2k7j h LYS 64 N 0.02 0.17 0.00 0.06 1.63 -1.57 -2.02 116.57 114.87 2k7j h LYS 64 Ca 0.00 -0.29 -0.02 0.00 -0.85 0.00 0.00 60.65 59.49 2k7j h LYS 64 Cb 0.58 0.11 -0.00 0.00 -0.60 0.00 0.00 32.23 32.31 2k7j h LYS 64 CO 0.04 0.96 -0.11 -1.49 -3.45 0.00 0.00 179.45 175.40 2k7j h TRP 65 N 0.05 0.00 0.00 1.91 4.06 -0.72 -2.71 115.95 118.53 2k7j h TRP 65 Ca -0.27 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 60.64 2k7j h TRP 65 Cb 2.00 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 30.15 2k7j h TRP 65 CO 0.04 0.11 -1.89 1.28 -3.56 0.00 0.00 178.44 174.43 2k7j n LEU 66 N -3.53 0.00 0.08 -4.49 4.77 -0.91 -3.35 117.00 109.58 2k7j n LEU 66 Ca -0.01 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.85 2k7j n LEU 66 Cb 0.26 0.06 -0.05 0.00 -2.33 0.00 0.00 43.42 41.35 2k7j n LEU 66 CO 0.29 0.06 0.76 -0.08 -1.33 0.00 0.00 177.39 177.10 2k7j h GLU 67 N 0.00 -0.27 0.00 3.23 4.81 -1.03 -3.41 114.58 117.91 2k7j h GLU 67 Ca -0.06 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2k7j h GLU 67 Cb 1.01 0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.46 2k7j h GLU 67 CO 0.00 -0.18 -0.51 -2.37 -0.73 0.00 0.00 179.01 175.22 2k7j n THR 68 N -5.28 0.00 -1.26 0.32 5.66 -1.20 -4.32 114.28 108.20 2k7j n THR 68 Ca -0.06 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.59 2k7j n THR 68 Cb 0.20 -0.39 0.10 0.00 -1.55 0.00 0.00 70.33 68.69 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 -2.14 0.38 0.00 1.09 3.00 -1.21 -4.33 116.66 113.45 2k7j n ARG 69 Ca 0.00 0.19 0.00 0.00 -0.01 0.00 0.00 57.85 58.03 2k7j n ARG 69 Cb 0.26 -2.28 0.00 0.00 0.00 0.00 0.00 32.46 30.44 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 0.94 0.09 3.68 -0.13 0.00 -1.26 -4.30 105.19 104.22 2k7j n GLY 70 Ca 0.13 -1.08 -0.31 0.00 0.00 0.00 0.00 46.02 44.76 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 0.00 3.12 0.55 1.61 0.01 -1.26 -4.91 113.70 112.82 2k7j s SER 71 Ca 0.00 2.08 0.33 0.00 1.31 0.00 0.00 55.95 59.67 2k7j s SER 71 Cb 0.00 -2.54 1.38 0.00 0.21 0.00 0.00 66.02 65.07 2k7j s SER 71 CO 0.00 -2.96 1.99 1.55 0.41 0.00 0.00 173.24 174.23 2k7j h PRO 72 N -1.77 0.00 0.01 12.44 0.13 -2.01 -3.16 132.00 137.65 2k7j h PRO 72 Ca -0.44 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.64 2k7j h PRO 72 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2k7j h PRO 72 CO 0.44 0.02 -0.18 1.49 -0.23 0.00 0.00 178.00 179.55 2k7j h GLU 73 N 0.00 0.10 -6.87 0.86 4.81 -1.96 -3.46 114.58 108.05 2k7j h GLU 73 Ca -0.00 -0.12 -0.45 0.00 -0.13 0.00 0.00 59.36 58.66 2k7j h GLU 73 Cb 0.50 0.04 0.05 0.00 0.63 0.00 0.00 28.75 29.98 2k7j h GLU 73 CO 0.00 0.92 -0.01 -1.12 -0.73 0.00 0.00 179.01 178.07 2k7j s SER 74 N -6.26 5.00 -0.21 1.04 0.01 -1.19 -5.01 113.70 107.08 2k7j s SER 74 Ca -0.17 -0.24 -0.11 0.00 1.31 0.00 0.00 55.95 56.74 2k7j s SER 74 Cb -0.00 -0.47 0.07 0.00 0.21 0.00 0.00 66.02 65.83 2k7j s SER 74 CO 0.72 -1.36 0.50 -1.00 0.41 0.00 0.00 173.24 172.52 2k7j s HIS 75 N -2.84 -0.78 -0.73 2.43 3.76 -1.26 -4.57 115.29 111.30 2k7j s HIS 75 Ca 0.60 1.60 -0.14 0.00 -0.15 0.00 0.00 55.06 56.97 2k7j s HIS 75 Cb -0.08 0.40 0.19 0.00 1.11 0.00 0.00 32.58 34.20 2k7j s HIS 75 CO 0.40 -0.42 0.67 0.42 -0.85 0.00 0.00 174.74 174.95 2k7j s ILE 76 N 1.60 5.35 0.36 0.60 1.01 -1.26 -0.54 121.20 128.33 2k7j s ILE 76 Ca -0.09 -2.23 0.19 0.00 0.00 0.00 0.00 60.65 58.51 2k7j s ILE 76 Cb -0.08 -4.35 0.18 0.00 0.01 0.00 0.00 42.46 38.22 2k7j s ILE 76 CO -0.15 -0.97 1.92 -0.78 0.00 0.00 0.00 174.94 174.95 2k7j h ASP 77 N 8.04 0.00 -5.00 3.58 1.82 -1.88 -3.43 116.42 119.55 2k7j h ASP 77 Ca -0.01 0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.59 2k7j h ASP 77 Cb 1.05 0.00 -0.14 0.00 0.68 0.00 0.00 39.33 40.92 2k7j h ASP 77 CO 0.83 0.26 0.20 -1.59 -1.61 0.00 0.00 179.24 177.33 2k7j s LYS 78 N -4.17 1.21 0.30 0.28 -2.85 -1.26 -5.05 119.74 108.19 2k7j s LYS 78 Ca -0.03 -0.24 -0.03 0.00 -1.00 0.00 0.00 55.97 54.68 2k7j s LYS 78 Cb 0.14 0.56 -0.01 0.00 -2.06 0.00 0.00 37.83 36.46 2k7j s LYS 78 CO 0.67 -0.49 0.39 0.00 0.10 0.00 0.00 175.35 176.02 2k7j s ALA 79 N -2.94 0.80 -0.30 0.59 0.00 -1.26 -2.95 121.76 115.70 2k7j s ALA 79 Ca -0.03 -1.51 -0.17 0.00 0.00 0.00 0.00 51.96 50.25 2k7j s ALA 79 Cb -0.01 1.23 0.20 0.00 0.00 0.00 0.00 23.12 24.54 2k7j s ALA 79 CO -0.06 -0.75 1.25 1.21 0.00 0.00 0.00 175.76 177.41 2k7j s ASN 80 N -3.20 -0.10 0.69 0.00 3.84 -1.26 -4.98 114.94 109.92 2k7j s ASN 80 Ca 0.32 0.17 -0.04 0.00 0.21 0.00 0.00 52.86 53.52 2k7j s ASN 80 Cb 0.01 0.95 0.08 0.00 -0.55 0.00 0.00 41.25 41.74 2k7j s ASN 80 CO 0.18 -0.03 0.97 0.72 -2.79 0.00 0.00 177.10 176.15 2k7j s PHE 81 N 0.96 2.41 0.00 0.43 -0.12 -1.26 -4.47 117.98 115.93 2k7j s PHE 81 Ca -0.07 0.10 0.00 0.00 -0.05 0.00 0.00 56.93 56.92 2k7j s PHE 81 Cb -0.03 -3.09 0.00 0.00 -0.63 0.00 0.00 43.02 39.27 2k7j s PHE 81 CO -0.11 -1.45 0.00 1.63 -0.05 0.00 0.00 175.22 175.24 2k7j n LYS 82 N -2.81 0.00 -3.26 1.99 4.76 -1.25 -5.04 118.16 112.56 2k7j n LYS 82 Ca 0.11 0.00 0.03 0.00 -2.87 0.00 0.00 58.31 55.58 2k7j n LYS 82 Cb 0.60 -0.19 -0.04 0.00 -1.84 0.00 0.00 35.03 33.56 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 -2.58 -0.30 0.92 4.39 2.47 -1.26 -5.09 114.94 113.49 2k7j s ASN 83 Ca 0.00 0.37 -0.12 0.00 0.42 0.00 0.00 52.86 53.53 2k7j s ASN 83 Cb 0.00 1.32 0.14 0.00 -1.45 0.00 0.00 41.25 41.26 2k7j s ASN 83 CO 0.00 -0.06 1.11 -1.83 -3.72 0.00 0.00 177.10 172.60 2k7j s GLU 84 N 2.32 1.11 -0.13 0.43 4.04 -1.26 -4.48 118.70 120.73 2k7j s GLU 84 Ca -0.01 0.53 -0.04 0.00 0.04 0.00 0.00 54.97 55.49 2k7j s GLU 84 Cb -0.04 -1.81 0.05 0.00 0.02 0.00 0.00 34.13 32.35 2k7j s GLU 84 CO -0.16 -2.27 0.11 0.21 -1.84 0.00 0.00 175.26 171.30 2k7j s LYS 85 N -5.09 0.03 -0.47 -4.83 2.47 0.83 -4.90 119.74 107.79 2k7j s LYS 85 Ca 0.64 0.16 -0.27 0.00 -1.56 0.00 0.00 55.97 54.94 2k7j s LYS 85 Cb -0.17 -1.19 -0.04 0.00 -1.46 0.00 0.00 37.83 34.97 2k7j s LYS 85 CO 0.56 -0.53 2.04 0.08 0.16 0.00 0.00 175.35 177.66 2k7j s VAL 86 N 2.19 3.25 0.32 4.02 1.01 -1.26 -1.75 120.40 128.17 2k7j s VAL 86 Ca 0.04 0.19 0.07 0.00 0.00 0.00 0.00 61.98 62.28 2k7j s VAL 86 Cb -0.14 -3.50 -0.02 0.00 0.00 0.00 0.00 36.38 32.71 2k7j s VAL 86 CO -0.07 -0.43 0.33 0.27 0.00 0.00 0.00 175.10 175.20 2k7j s ILE 87 N 9.39 3.91 -0.10 2.22 -4.36 -1.18 -4.99 121.20 126.08 2k7j s ILE 87 Ca 0.83 -1.25 0.15 0.00 -0.26 0.00 0.00 60.65 60.12 2k7j s ILE 87 Cb -0.18 -3.32 -0.23 0.00 1.25 0.00 0.00 42.46 39.98 2k7j s ILE 87 CO 0.27 -0.20 0.51 0.18 0.24 0.00 0.00 174.94 175.93 2k7j n LEU 88 N -1.42 0.60 -3.75 0.37 4.32 -1.26 -4.44 117.00 111.41 2k7j n LEU 88 Ca -0.03 0.28 -0.13 0.00 -0.02 0.00 0.00 56.01 56.12 2k7j n LEU 88 Cb 0.59 0.25 -0.10 0.00 -1.62 0.00 0.00 43.42 42.54 2k7j n LEU 88 CO 0.43 0.38 0.02 -1.59 -1.22 0.00 0.00 177.39 175.41 2k7j s LYS 89 N -2.63 0.50 1.02 3.23 -2.85 -1.26 -4.99 119.74 112.77 2k7j s LYS 89 Ca -0.06 0.24 -0.13 0.00 -1.00 0.00 0.00 55.97 55.03 2k7j s LYS 89 Cb 0.08 0.23 0.20 0.00 -2.06 0.00 0.00 37.83 36.28 2k7j s LYS 89 CO 0.83 -0.10 1.09 -0.51 0.10 0.00 0.00 175.35 176.76 2k7j s LEU 90 N -0.36 1.48 -0.19 2.77 1.43 -1.26 -4.99 118.68 117.56 2k7j s LEU 90 Ca -0.05 1.17 0.13 0.00 -1.03 0.00 0.00 54.13 54.35 2k7j s LEU 90 Cb -0.03 -3.31 0.39 0.00 0.03 0.00 0.00 46.19 43.27 2k7j s LEU 90 CO 0.02 -3.25 1.21 0.47 0.23 0.00 0.00 176.35 175.03 2k7j n ASP 91 N -4.25 1.94 -3.95 2.29 9.92 -1.26 -5.03 116.55 116.20 2k7j n ASP 91 Ca 0.05 -3.68 -0.10 0.00 -0.53 0.00 0.00 54.79 50.53 2k7j n ASP 91 Cb 0.57 -0.51 -0.06 0.00 -0.64 0.00 0.00 41.12 40.48 2k7j n ASP 91 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 2k7j s TYR 92 N -3.14 0.37 -0.09 1.24 1.51 -1.26 -5.06 117.35 110.92 2k7j s TYR 92 Ca 0.37 -0.72 0.12 0.00 -1.01 0.00 0.00 57.07 55.83 2k7j s TYR 92 Cb 0.35 0.02 -0.18 0.00 -0.11 0.00 0.00 41.96 42.04 2k7j s TYR 92 CO -0.04 -0.80 0.13 0.43 -1.11 0.00 0.00 175.55 174.17 2k7j n SER 93 N -0.27 1.86 -3.65 2.29 7.64 -1.26 -5.03 113.62 115.21 2k7j n SER 93 Ca -0.06 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.80 2k7j n SER 93 Cb 0.63 1.09 -0.07 0.00 -1.01 0.00 0.00 64.21 64.85 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 -4.23 -0.24 0.11 6.43 -4.77 -1.26 -5.05 116.67 107.67 2k7j s ASP 94 Ca -0.06 0.41 -0.35 0.00 -3.30 0.00 0.00 52.55 49.25 2k7j s ASP 94 Cb 0.05 0.78 -0.15 0.00 -1.09 0.00 0.00 42.92 42.51 2k7j s ASP 94 CO 0.54 -0.07 1.49 0.33 0.70 0.00 0.00 175.17 178.16 2k7j n PHE 95 N 2.64 1.94 -4.55 2.11 -0.00 -1.26 -4.65 117.46 113.69 2k7j n PHE 95 Ca -0.15 0.43 -0.27 0.00 -0.00 0.00 0.00 57.45 57.46 2k7j n PHE 95 Cb 0.57 -2.45 -0.08 0.00 -0.00 0.00 0.00 39.48 37.52 2k7j n PHE 95 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.76 176.11 2k7j s GLN 96 N 0.86 1.99 -0.11 -4.13 -1.52 -1.19 -4.92 119.66 110.64 2k7j s GLN 96 Ca 0.82 -2.23 -0.03 0.00 -1.95 0.00 0.00 55.36 51.97 2k7j s GLN 96 Cb -0.81 -0.68 -0.03 0.00 -0.22 0.00 0.00 33.01 31.27 2k7j s GLN 96 CO 0.43 -0.50 0.01 0.42 -0.25 0.00 0.00 175.29 175.39 2k7j s ILE 97 N -3.16 4.35 0.17 1.08 1.01 -1.26 -3.76 121.20 119.63 2k7j s ILE 97 Ca 0.21 -0.22 -0.30 0.00 0.00 0.00 0.00 60.65 60.34 2k7j s ILE 97 Cb 0.02 -2.86 -0.07 0.00 0.01 0.00 0.00 42.46 39.55 2k7j s ILE 97 CO 0.14 0.57 1.10 -0.69 0.00 0.00 0.00 174.94 176.06 2k7j s VAL 98 N -0.53 3.91 -0.37 2.92 1.01 -1.20 -4.96 120.40 121.18 2k7j s VAL 98 Ca 0.09 1.62 0.03 0.00 0.00 0.00 0.00 61.98 63.72 2k7j s VAL 98 Cb -0.12 -4.04 0.02 0.00 0.00 0.00 0.00 36.38 32.25 2k7j s VAL 98 CO 0.02 0.27 0.59 2.29 0.00 0.00 0.00 175.10 178.27