#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1e9j h PRO 2 N 0.00 -0.49 0.00 0.00 0.13 -2.07 -3.44 132.00 126.13 1e9j h PRO 2 Ca 0.00 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 1e9j h PRO 2 Cb 0.00 0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.24 1e9j h PRO 2 CO 0.00 -0.33 -0.21 -0.40 -0.23 0.00 0.00 178.00 176.84 1e9j n ASP 3 N -5.11 0.41 -4.70 1.44 5.68 -1.26 -4.95 116.55 108.07 1e9j n ASP 3 Ca -0.06 0.08 -0.42 0.00 -0.50 0.00 0.00 54.79 53.89 1e9j n ASP 3 Cb 0.20 -0.55 -0.03 0.00 -1.14 0.00 0.00 41.12 39.60 1e9j n ASP 3 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1e9j s VAL 4 N -1.40 3.49 -0.37 2.12 1.01 -1.26 -4.98 120.40 119.01 1e9j s VAL 4 Ca -0.06 0.98 0.01 0.00 0.00 0.00 0.00 61.98 62.91 1e9j s VAL 4 Cb 0.01 -3.63 0.15 0.00 0.00 0.00 0.00 36.38 32.91 1e9j s VAL 4 CO 0.09 0.03 0.26 -1.10 0.00 0.00 0.00 175.10 174.38 1e9j s GLN 5 N 1.90 0.65 0.37 2.72 -0.21 -1.26 -4.71 119.66 119.12 1e9j s GLN 5 Ca 0.65 -1.52 -0.13 0.00 0.02 0.00 0.00 55.36 54.38 1e9j s GLN 5 Cb -0.34 -1.29 -0.08 0.00 1.00 0.00 0.00 33.01 32.30 1e9j s GLN 5 CO 0.29 -1.26 0.77 -0.51 -2.12 0.00 0.00 175.29 172.45 1e9j s ASP 6 N 0.80 6.65 0.00 5.90 1.11 -1.26 -4.91 116.67 124.96 1e9j s ASP 6 Ca 0.22 1.23 0.00 0.00 0.18 0.00 0.00 52.55 54.19 1e9j s ASP 6 Cb -0.15 -2.36 0.00 0.00 1.07 0.00 0.00 42.92 41.48 1e9j s ASP 6 CO -0.05 -0.32 0.00 0.00 1.18 0.00 0.00 175.17 175.98 1e9j n PRO 8 N 0.01 0.98 -1.40 0.00 -0.04 -1.26 -4.80 135.00 128.48 1e9j n PRO 8 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1e9j n PRO 8 Cb 0.00 -1.01 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 1e9j n PRO 8 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1e9j n GLU 9 N 0.58 -3.50 -1.65 0.54 2.13 -1.26 -4.80 120.64 112.69 1e9j n GLU 9 Ca 0.00 2.62 -0.56 0.00 0.66 0.00 0.00 57.16 59.88 1e9j n GLU 9 Cb 0.49 -2.70 -0.07 0.00 0.27 0.00 0.00 31.44 29.43 1e9j n GLU 9 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1e9j s THR 11 N 1.91 0.00 -0.01 0.00 -4.23 -0.89 -4.85 115.64 107.57 1e9j s THR 11 Ca 0.92 -0.05 -0.30 0.00 -1.18 0.00 0.00 61.69 61.08 1e9j s THR 11 Cb -1.07 -1.22 -0.04 0.00 1.34 0.00 0.00 72.50 71.51 1e9j s THR 11 CO 0.58 0.00 1.15 -0.76 -0.54 0.00 0.00 174.62 175.05 1e9j s LEU 12 N -2.36 4.32 -0.62 4.79 1.02 -1.26 0.29 118.68 124.87 1e9j s LEU 12 Ca 0.10 1.84 0.05 0.00 0.02 0.00 0.00 54.13 56.14 1e9j s LEU 12 Cb 0.00 -3.57 0.31 0.00 0.02 0.00 0.00 46.19 42.95 1e9j s LEU 12 CO -0.04 -0.48 0.90 0.00 0.02 0.00 0.00 176.35 176.75 1e9j n GLN 13 N 4.50 3.04 0.00 1.70 6.02 -1.15 -4.84 117.38 126.66 1e9j n GLN 13 Ca 0.09 -4.79 0.00 0.00 -0.01 0.00 0.00 57.00 52.29 1e9j n GLN 13 Cb 0.47 -2.25 0.00 0.00 1.02 0.00 0.00 30.24 29.48 1e9j n GLN 13 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1e9j n GLU 14 N 0.18 0.00 -1.51 -1.09 2.13 -1.25 -4.30 120.64 114.80 1e9j n GLU 14 Ca 0.31 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.72 1e9j n GLU 14 Cb 0.39 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 32.02 1e9j n GLU 14 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1e9j n ASN 15 N 0.01 1.43 -0.47 4.31 2.85 0.86 -4.72 115.26 119.53 1e9j n ASN 15 Ca 0.00 -0.06 0.00 0.00 -0.11 0.00 0.00 54.58 54.41 1e9j n ASN 15 Cb 0.00 -1.25 0.00 0.00 1.24 0.00 0.00 39.78 39.77 1e9j n ASN 15 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1e9j n PRO 16 N 8.64 0.68 0.03 1.20 -0.04 -1.26 -1.66 135.00 142.60 1e9j n PRO 16 Ca 0.50 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.95 1e9j n PRO 16 Cb 0.27 -1.32 -0.00 0.00 -0.04 0.00 0.00 33.50 32.41 1e9j n PRO 16 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1e9j n PHE 17 N 0.12 0.00 1.18 0.54 -0.00 -1.26 -4.75 117.46 113.29 1e9j n PHE 17 Ca 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 57.45 57.59 1e9j n PHE 17 Cb 0.16 -0.03 0.66 0.00 -0.00 0.00 0.00 39.48 40.27 1e9j n PHE 17 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.76 177.95 1e9j n PHE 18 N -3.44 0.00 -1.46 -5.13 3.72 -1.18 -4.83 117.46 105.14 1e9j n PHE 18 Ca -0.01 0.00 -0.49 0.00 -0.05 0.00 0.00 57.45 56.90 1e9j n PHE 18 Cb 0.13 -0.40 -0.07 0.00 -0.94 0.00 0.00 39.48 38.21 1e9j n PHE 18 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1e9j n SER 19 N -1.39 2.18 -4.02 4.37 7.64 -0.66 -4.50 113.62 117.23 1e9j n SER 19 Ca 0.10 0.35 -0.12 0.00 1.01 0.00 0.00 58.87 60.21 1e9j n SER 19 Cb 0.30 -1.29 -0.12 0.00 -1.01 0.00 0.00 64.21 62.09 1e9j n SER 19 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 1e9j s GLN 20 N 6.38 0.44 -0.42 1.43 0.74 0.44 -4.94 119.66 123.73 1e9j s GLN 20 Ca 1.09 -0.63 -0.10 0.00 0.05 0.00 0.00 55.36 55.77 1e9j s GLN 20 Cb -0.80 -0.19 -0.10 0.00 1.10 0.00 0.00 33.01 33.02 1e9j s GLN 20 CO 0.47 0.03 1.45 -2.30 -0.55 0.00 0.00 175.29 174.39 1e9j n PRO 21 N 1.72 0.04 0.00 1.67 -0.02 -1.26 0.25 135.00 137.39 1e9j n PRO 21 Ca -0.22 -0.59 0.00 0.00 -2.02 0.00 0.00 63.50 60.67 1e9j n PRO 21 Cb 0.55 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 1e9j n PRO 21 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1e9j n GLY 22 N 5.14 0.38 3.15 -1.23 0.00 -1.26 -5.08 105.19 106.30 1e9j n GLY 22 Ca 0.18 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.23 1e9j n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1e9j s ALA 23 N -1.32 -2.48 -0.89 4.61 0.00 0.68 -5.07 121.76 117.29 1e9j s ALA 23 Ca 0.00 0.98 0.00 0.00 0.00 0.00 0.00 51.96 52.94 1e9j s ALA 23 Cb 0.00 -2.58 0.29 0.00 0.00 0.00 0.00 23.12 20.83 1e9j s ALA 23 CO 0.00 -1.89 1.23 -0.35 0.00 0.00 0.00 175.76 174.75 1e9j n PRO 24 N 5.28 3.82 -0.72 0.00 -0.04 -1.26 0.17 135.00 142.24 1e9j n PRO 24 Ca 0.06 -4.63 -0.04 0.00 -0.04 0.00 0.00 63.50 58.85 1e9j n PRO 24 Cb 0.55 -2.40 0.02 0.00 -0.04 0.00 0.00 33.50 31.63 1e9j n PRO 24 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1e9j n ILE 25 N 0.92 0.00 -2.76 0.52 2.08 -1.26 -4.35 119.36 114.50 1e9j n ILE 25 Ca 0.30 -0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.60 1e9j n ILE 25 Cb 0.36 -0.07 0.00 0.00 -0.75 0.00 0.00 39.64 39.18 1e9j n ILE 25 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 1e9j n LEU 26 N 2.42 0.00 0.00 1.39 4.77 -1.26 0.30 117.00 124.61 1e9j n LEU 26 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 1e9j n LEU 26 Cb 0.07 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1e9j n LEU 26 CO 0.05 0.00 0.00 1.67 -1.33 0.00 0.00 177.39 177.78 1e9j n GLN 27 N 0.00 0.00 -1.50 3.23 7.27 -1.26 -3.99 117.38 121.13 1e9j n GLN 27 Ca 0.00 0.00 -0.41 0.00 0.07 0.00 0.00 57.00 56.66 1e9j n GLN 27 Cb 0.00 0.00 -0.11 0.00 2.41 0.00 0.00 30.24 32.54 1e9j n GLN 27 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1e9j s MET 29 N 8.55 3.10 0.00 0.00 1.75 0.82 -4.72 119.30 128.80 1e9j s MET 29 Ca 1.23 -0.60 0.00 0.00 -1.25 0.00 0.00 55.69 55.07 1e9j s MET 29 Cb -0.93 -2.65 0.00 0.00 2.84 0.00 0.00 34.83 34.09 1e9j s MET 29 CO 0.43 0.44 0.00 0.41 -0.65 0.00 0.00 175.02 175.65 1e9j n GLY 30 N 2.88 0.77 2.94 2.11 0.00 -1.26 -2.10 105.19 110.54 1e9j n GLY 30 Ca -0.18 -1.67 -0.22 0.00 0.00 0.00 0.00 46.02 43.96 1e9j n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1e9j n PHE 33 N -4.17 1.07 -1.59 0.00 -0.00 -1.26 -4.51 117.46 107.01 1e9j n PHE 33 Ca 0.02 0.76 0.00 0.00 -0.00 0.00 0.00 57.45 58.23 1e9j n PHE 33 Cb 0.05 -1.48 0.00 0.00 -0.00 0.00 0.00 39.48 38.05 1e9j n PHE 33 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 1e9j n SER 34 N 2.45 0.00 -3.58 -2.13 2.88 -1.26 -3.66 113.62 108.31 1e9j n SER 34 Ca 0.20 -1.43 -0.23 0.00 -1.33 0.00 0.00 58.87 56.08 1e9j n SER 34 Cb -0.03 -0.09 0.08 0.00 -0.75 0.00 0.00 64.21 63.42 1e9j n SER 34 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1e9j n ARG 35 N 0.00 -7.30 -1.52 -1.46 0.63 -1.26 -4.98 116.66 100.78 1e9j n ARG 35 Ca 0.00 0.81 -0.30 0.00 -0.92 0.00 0.00 57.85 57.43 1e9j n ARG 35 Cb 0.59 -5.82 0.08 0.00 0.45 0.00 0.00 32.46 27.76 1e9j n ARG 35 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1e9j s ALA 36 N -3.34 2.32 0.00 5.13 0.00 -1.26 -4.89 121.76 119.71 1e9j s ALA 36 Ca 0.41 -0.10 0.00 0.00 0.00 0.00 0.00 51.96 52.28 1e9j s ALA 36 Cb -0.18 -3.14 0.00 0.00 0.00 0.00 0.00 23.12 19.80 1e9j s ALA 36 CO 0.74 -1.64 0.00 0.66 0.00 0.00 0.00 175.76 175.52 1e9j n TYR 37 N -3.39 0.00 -2.25 0.00 4.01 -1.26 -5.08 117.16 109.19 1e9j n TYR 37 Ca 0.07 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.38 1e9j n TYR 37 Cb 0.55 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.56 1e9j n TYR 37 CO 0.00 0.00 0.00 -2.14 -0.46 0.00 0.00 176.86 174.26 1e9j s PRO 38 N 0.00 3.48 0.00 -0.72 0.02 -1.26 -4.42 135.00 132.10 1e9j s PRO 38 Ca 0.00 1.04 0.00 0.00 0.02 0.00 0.00 61.00 62.06 1e9j s PRO 38 Cb 0.00 -4.08 0.00 0.00 0.02 0.00 0.00 34.50 30.44 1e9j s PRO 38 CO 0.00 -1.69 0.00 0.25 -0.33 0.00 0.00 177.00 175.23 1e9j n THR 39 N 7.17 0.00 -3.36 0.99 -2.24 -1.26 -4.81 114.28 110.77 1e9j n THR 39 Ca 0.18 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.62 1e9j n THR 39 Cb 0.48 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.65 1e9j n THR 39 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1e9j s PRO 40 N -3.08 3.94 0.56 -0.78 0.04 -1.26 -4.97 135.00 129.45 1e9j s PRO 40 Ca 0.00 0.45 0.00 0.00 0.04 0.00 0.00 61.00 61.49 1e9j s PRO 40 Cb 0.00 -2.85 0.00 0.00 0.04 0.00 0.00 34.50 31.69 1e9j s PRO 40 CO 0.00 0.43 0.00 1.28 0.04 0.00 0.00 177.00 178.75 1e9j n LEU 41 N 0.55 0.00 -3.53 -3.56 4.77 -1.26 -4.87 117.00 109.10 1e9j n LEU 41 Ca -0.04 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.72 1e9j n LEU 41 Cb 0.52 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.62 1e9j n LEU 41 CO 0.43 -0.22 -0.12 0.54 -1.33 0.00 0.00 177.39 176.68 1e9j n ARG 42 N -0.23 -1.65 -1.02 3.23 1.74 -1.26 -4.98 116.66 112.50 1e9j n ARG 42 Ca 0.00 1.14 -0.12 0.00 -0.77 0.00 0.00 57.85 58.10 1e9j n ARG 42 Cb 0.00 -3.12 0.08 0.00 -1.02 0.00 0.00 32.46 28.40 1e9j n ARG 42 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1e9j n SER 43 N -1.77 0.19 -1.59 0.55 3.41 -1.26 -4.91 113.62 108.24 1e9j n SER 43 Ca -0.18 -1.29 0.02 0.00 -0.26 0.00 0.00 58.87 57.16 1e9j n SER 43 Cb 0.64 -0.41 0.06 0.00 -0.26 0.00 0.00 64.21 64.24 1e9j n SER 43 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1e9j n LYS 44 N -2.15 0.86 0.00 4.33 4.76 -1.26 -4.62 118.16 120.08 1e9j n LYS 44 Ca 0.07 -2.67 0.00 0.00 -2.87 0.00 0.00 58.31 52.85 1e9j n LYS 44 Cb 0.26 -0.76 0.00 0.00 -1.84 0.00 0.00 35.03 32.69 1e9j n LYS 44 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1e9j n LYS 45 N -0.10 0.00 -1.54 1.97 5.02 -1.26 -5.07 118.16 117.18 1e9j n LYS 45 Ca 0.11 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.23 1e9j n LYS 45 Cb 0.98 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 35.88 1e9j n LYS 45 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1e9j n THR 46 N -1.90 -0.00 -2.22 -0.18 -1.04 -1.26 -4.12 114.28 103.55 1e9j n THR 46 Ca 0.00 -0.50 -0.00 0.00 -2.04 0.00 0.00 64.05 61.50 1e9j n THR 46 Cb 0.00 -1.46 -0.00 0.00 -1.82 0.00 0.00 70.33 67.05 1e9j n THR 46 CO 0.00 0.00 0.00 0.80 -0.64 0.00 0.00 175.07 175.23 1e9j n MET 47 N 7.91 -1.56 0.00 -2.82 1.56 -1.26 -4.68 117.12 116.28 1e9j n MET 47 Ca 0.53 1.16 0.00 0.00 -0.27 0.00 0.00 57.70 59.12 1e9j n MET 47 Cb 0.35 -1.72 0.00 0.00 2.15 0.00 0.00 33.22 34.00 1e9j n MET 47 CO 0.00 0.00 0.00 -0.11 -0.73 0.00 0.00 175.97 175.13 1e9j n LEU 48 N 2.01 0.00 0.00 -0.89 0.00 -1.26 -4.89 117.00 111.97 1e9j n LEU 48 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.99 1e9j n LEU 48 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.45 1e9j n LEU 48 CO 0.02 -0.01 0.00 0.52 0.00 0.00 0.00 177.39 177.91 1e9j n VAL 49 N 0.00 0.00 -2.27 1.96 0.31 -1.26 -4.22 118.33 112.85 1e9j n VAL 49 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.90 1e9j n VAL 49 Cb 0.00 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 32.91 1e9j n VAL 49 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 1e9j s GLN 50 N 1.27 3.97 0.01 5.55 -0.44 -1.26 -4.89 119.66 123.86 1e9j s GLN 50 Ca 0.00 1.57 -0.30 0.00 -2.50 0.00 0.00 55.36 54.13 1e9j s GLN 50 Cb 0.00 -3.92 -0.07 0.00 -1.64 0.00 0.00 33.01 27.38 1e9j s GLN 50 CO 0.00 -1.07 1.62 0.21 0.50 0.00 0.00 175.29 176.55 1e9j s LYS 51 N 4.19 4.20 -0.47 1.67 2.20 -1.26 -4.85 119.74 125.43 1e9j s LYS 51 Ca 0.63 2.23 -0.41 0.00 -0.36 0.00 0.00 55.97 58.06 1e9j s LYS 51 Cb -0.22 -3.75 -0.17 0.00 -1.51 0.00 0.00 37.83 32.18 1e9j s LYS 51 CO 0.24 -0.75 2.18 0.09 -0.36 0.00 0.00 175.35 176.74 1e9j n ASN 52 N 6.17 1.17 -3.94 1.43 3.02 -1.26 -4.89 115.26 116.96 1e9j n ASN 52 Ca 0.16 0.57 -0.30 0.00 -0.03 0.00 0.00 54.58 54.98 1e9j n ASN 52 Cb 0.42 -1.02 -0.14 0.00 -0.61 0.00 0.00 39.78 38.43 1e9j n ASN 52 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1e9j s VAL 53 N 6.57 2.21 -0.14 2.41 -7.23 -1.26 -5.03 120.40 117.92 1e9j s VAL 53 Ca 1.17 -2.66 -0.40 0.00 -1.81 0.00 0.00 61.98 58.28 1e9j s VAL 53 Cb -1.28 -2.59 -0.18 0.00 0.56 0.00 0.00 36.38 32.89 1e9j s VAL 53 CO 0.60 -0.71 1.43 0.35 -0.31 0.00 0.00 175.10 176.46 1e9j n THR 54 N 3.80 0.08 -1.74 5.32 -2.24 -1.26 -4.73 114.28 113.51 1e9j n THR 54 Ca 0.04 -0.01 -0.18 0.00 -2.27 0.00 0.00 64.05 61.62 1e9j n THR 54 Cb 0.38 -0.68 -0.08 0.00 -2.10 0.00 0.00 70.33 67.85 1e9j n THR 54 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1e9j s SER 55 N 1.66 4.11 0.00 3.42 1.04 -1.26 -3.84 113.70 118.83 1e9j s SER 55 Ca 0.94 -0.70 0.00 0.00 0.48 0.00 0.00 55.95 56.66 1e9j s SER 55 Cb -1.16 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 62.38 1e9j s SER 55 CO 0.61 -3.88 0.00 -0.62 0.98 0.00 0.00 173.24 170.33 1e9j n GLU 56 N 8.52 0.00 -3.78 4.02 4.71 -1.26 -5.13 120.64 127.71 1e9j n GLU 56 Ca 0.44 0.00 -0.13 0.00 -0.01 0.00 0.00 57.16 57.46 1e9j n GLU 56 Cb 0.46 -0.21 -0.12 0.00 -1.01 0.00 0.00 31.44 30.56 1e9j n GLU 56 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 1e9j s SER 57 N -1.76 -0.26 0.40 1.62 0.15 -1.25 -5.17 113.70 107.43 1e9j s SER 57 Ca 0.00 0.50 0.04 0.00 0.70 0.00 0.00 55.95 57.19 1e9j s SER 57 Cb 0.00 0.50 -0.04 0.00 -1.71 0.00 0.00 66.02 64.77 1e9j s SER 57 CO 0.00 -0.09 0.06 0.42 1.20 0.00 0.00 173.24 174.83 1e9j s THR 58 N 0.20 1.11 0.00 6.45 -4.23 -1.26 -3.70 115.64 114.21 1e9j s THR 58 Ca -0.01 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.50 1e9j s THR 58 Cb -0.02 -2.56 0.00 0.00 1.34 0.00 0.00 72.50 71.26 1e9j s THR 58 CO -0.00 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.08 1e9j s VAL 61 N 1.02 5.01 0.00 0.00 -7.23 -1.10 -4.61 120.40 113.49 1e9j s VAL 61 Ca 0.09 -2.36 0.00 0.00 -1.81 0.00 0.00 61.98 57.90 1e9j s VAL 61 Cb -0.22 -4.85 0.00 0.00 0.56 0.00 0.00 36.38 31.87 1e9j s VAL 61 CO -0.02 -1.55 0.00 0.00 -0.31 0.00 0.00 175.10 173.22 1e9j n ALA 62 N 5.72 -0.28 -0.36 1.32 0.00 -1.25 -4.56 120.51 121.09 1e9j n ALA 62 Ca 0.32 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.79 1e9j n ALA 62 Cb 0.45 0.00 0.19 0.00 0.00 0.00 0.00 19.45 20.08 1e9j n ALA 62 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1e9j h LYS 63 N 0.83 1.12 -2.80 0.00 3.64 0.72 -3.37 116.57 116.70 1e9j h LYS 63 Ca 0.00 -0.07 -0.45 0.00 -1.27 0.00 0.00 60.65 58.87 1e9j h LYS 63 Cb 0.00 -0.25 -0.39 0.00 -0.41 0.00 0.00 32.23 31.18 1e9j h LYS 63 CO 0.00 0.74 -0.73 -1.12 -2.27 0.00 0.00 179.45 176.07 1e9j s SER 64 N -5.92 2.50 0.40 4.20 0.01 -0.80 -4.89 113.70 109.19 1e9j s SER 64 Ca -0.12 -0.77 0.02 0.00 1.31 0.00 0.00 55.95 56.39 1e9j s SER 64 Cb 0.20 -0.11 -0.01 0.00 0.21 0.00 0.00 66.02 66.31 1e9j s SER 64 CO 0.81 -0.38 0.59 -0.72 0.41 0.00 0.00 173.24 173.96 1e9j s TYR 65 N 2.18 3.27 -0.09 2.43 -0.85 -1.25 0.36 117.35 123.39 1e9j s TYR 65 Ca 0.06 0.16 0.19 0.00 -0.52 0.00 0.00 57.07 56.95 1e9j s TYR 65 Cb -0.16 -2.13 0.41 0.00 0.38 0.00 0.00 41.96 40.46 1e9j s TYR 65 CO -0.20 -0.15 1.19 -1.71 -1.52 0.00 0.00 175.55 173.15 1e9j n ASN 66 N -1.90 1.30 0.00 -0.18 5.15 0.49 -4.72 115.26 115.40 1e9j n ASN 66 Ca -0.01 -2.83 0.00 0.00 -0.60 0.00 0.00 54.58 51.14 1e9j n ASN 66 Cb 0.57 -0.40 0.00 0.00 -0.53 0.00 0.00 39.78 39.43 1e9j n ASN 66 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 1e9j n ARG 67 N -0.24 0.00 -2.67 1.20 0.00 -1.23 -3.96 116.66 109.76 1e9j n ARG 67 Ca 0.12 0.00 -0.07 0.00 -0.00 0.00 0.00 57.85 57.90 1e9j n ARG 67 Cb 0.93 0.00 0.04 0.00 0.00 0.00 0.00 32.46 33.43 1e9j n ARG 67 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 1e9j n VAL 68 N 0.00 1.44 -0.14 5.15 0.24 -1.26 -4.64 118.33 119.12 1e9j n VAL 68 Ca 0.00 -3.22 -0.06 0.00 -2.04 0.00 0.00 64.34 59.02 1e9j n VAL 68 Cb 0.00 0.71 -0.01 0.00 -1.47 0.00 0.00 33.84 33.07 1e9j n VAL 68 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 1e9j n THR 69 N -0.50 0.00 -3.84 3.34 -1.04 -1.25 -4.83 114.28 106.16 1e9j n THR 69 Ca 0.14 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.15 1e9j n THR 69 Cb 0.82 -0.04 0.00 0.00 -1.82 0.00 0.00 70.33 69.29 1e9j n THR 69 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1e9j n VAL 70 N 0.37 0.00 0.00 12.58 0.31 -1.12 -4.81 118.33 125.65 1e9j n VAL 70 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 1e9j n VAL 70 Cb -0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1e9j n VAL 70 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 1e9j n MET 71 N 0.00 0.00 -0.32 5.55 2.81 -1.26 0.15 117.12 124.05 1e9j n MET 71 Ca 0.00 0.00 0.05 0.00 -1.81 0.00 0.00 57.70 55.94 1e9j n MET 71 Cb 0.00 0.00 0.18 0.00 -0.71 0.00 0.00 33.22 32.69 1e9j n MET 71 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1e9j n GLY 72 N 0.00 1.49 0.00 3.03 0.00 -1.26 -4.71 105.19 103.75 1e9j n GLY 72 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.59 1e9j n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1e9j n GLY 73 N 0.68 1.35 3.40 -0.02 0.00 0.99 -5.14 105.19 106.45 1e9j n GLY 73 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 1e9j n GLY 73 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1e9j n PHE 74 N 0.00 -1.37 -3.31 1.61 3.01 0.40 -4.72 117.46 113.08 1e9j n PHE 74 Ca 0.00 -0.07 -0.11 0.00 1.01 0.00 0.00 57.45 58.28 1e9j n PHE 74 Cb 0.00 -1.65 -0.06 0.00 -0.01 0.00 0.00 39.48 37.76 1e9j n PHE 74 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1e9j s LYS 75 N -4.08 0.65 0.00 -1.08 1.02 -1.26 -2.81 119.74 112.18 1e9j s LYS 75 Ca 0.65 -0.54 0.05 0.00 0.02 0.00 0.00 55.97 56.15 1e9j s LYS 75 Cb -0.21 -0.44 0.18 0.00 -0.52 0.00 0.00 37.83 36.83 1e9j s LYS 75 CO 0.66 -1.17 1.14 1.33 -0.92 0.00 0.00 175.35 176.39 1e9j n VAL 76 N 4.47 0.19 -2.86 3.17 0.24 -1.26 -4.82 118.33 117.47 1e9j n VAL 76 Ca 0.09 -0.20 -0.18 0.00 -2.04 0.00 0.00 64.34 62.01 1e9j n VAL 76 Cb 0.49 0.09 -0.04 0.00 -1.47 0.00 0.00 33.84 32.92 1e9j n VAL 76 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 1e9j n GLU 77 N -0.07 -0.88 0.00 7.34 4.07 -1.26 -1.83 120.64 128.00 1e9j n GLU 77 Ca 0.06 0.06 0.00 0.00 -0.06 0.00 0.00 57.16 57.21 1e9j n GLU 77 Cb 0.13 -2.01 0.00 0.00 -0.06 0.00 0.00 31.44 29.50 1e9j n GLU 77 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 1e9j n ASN 78 N -0.65 0.00 -4.71 4.31 5.15 -1.25 -0.99 115.26 117.11 1e9j n ASN 78 Ca 0.04 0.00 -0.62 0.00 -0.60 0.00 0.00 54.58 53.40 1e9j n ASN 78 Cb 0.20 0.00 -0.08 0.00 -0.53 0.00 0.00 39.78 39.37 1e9j n ASN 78 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 1e9j n HIS 79 N 0.00 1.91 0.23 1.20 8.25 -0.76 0.19 115.22 126.24 1e9j n HIS 79 Ca 0.00 0.78 0.06 0.00 -0.26 0.00 0.00 57.72 58.30 1e9j n HIS 79 Cb 0.00 -2.37 -0.09 0.00 1.12 0.00 0.00 29.99 28.65 1e9j n HIS 79 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1e9j n THR 80 N 4.48 0.00 -3.58 1.59 -2.24 1.13 -4.83 114.28 110.82 1e9j n THR 80 Ca 0.29 -0.26 -0.16 0.00 -2.27 0.00 0.00 64.05 61.65 1e9j n THR 80 Cb 0.05 0.51 -0.07 0.00 -2.10 0.00 0.00 70.33 68.73 1e9j n THR 80 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1e9j s ALA 81 N -2.63 -1.70 0.11 6.98 0.00 0.35 -4.80 121.76 120.07 1e9j s ALA 81 Ca -0.01 1.52 0.06 0.00 0.00 0.00 0.00 51.96 53.53 1e9j s ALA 81 Cb 0.09 -0.45 -0.04 0.00 0.00 0.00 0.00 23.12 22.72 1e9j s ALA 81 CO 0.53 -0.35 -0.15 0.00 0.00 0.00 0.00 175.76 175.80 1e9j s HIS 83 N -1.82 -1.46 0.15 0.00 -3.43 -1.26 -4.46 115.29 103.00 1e9j s HIS 83 Ca 0.06 1.81 -0.31 0.00 -0.80 0.00 0.00 55.06 55.82 1e9j s HIS 83 Cb -0.07 0.58 -0.08 0.00 -1.43 0.00 0.00 32.58 31.58 1e9j s HIS 83 CO 0.03 -0.80 1.34 0.00 -2.00 0.00 0.00 174.74 173.31 1e9j n SER 85 N 3.35 0.00 -1.28 0.00 3.41 0.68 -4.82 113.62 114.96 1e9j n SER 85 Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 1e9j n SER 85 Cb 0.43 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 1e9j n SER 85 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1e9j n THR 86 N 0.00 -2.46 -3.71 6.66 -1.04 -1.20 -4.65 114.28 107.88 1e9j n THR 86 Ca 0.00 1.22 -0.29 0.00 -2.04 0.00 0.00 64.05 62.94 1e9j n THR 86 Cb 0.00 -2.01 -0.13 0.00 -1.82 0.00 0.00 70.33 66.37 1e9j n THR 86 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1e9j n TYR 88 N 3.39 -3.18 0.00 0.00 4.01 -1.26 -5.03 117.16 115.09 1e9j n TYR 88 Ca 0.10 1.25 0.00 0.00 -0.16 0.00 0.00 57.90 59.09 1e9j n TYR 88 Cb 0.35 -4.04 0.00 0.00 -0.31 0.00 0.00 39.34 35.34 1e9j n TYR 88 CO 0.00 0.00 0.00 0.98 -0.46 0.00 0.00 176.86 177.38 1e9j n TYR 89 N -1.14 0.00 -2.07 -0.72 9.36 -1.26 -5.05 117.16 116.28 1e9j n TYR 89 Ca 0.04 0.00 -0.03 0.00 3.32 0.00 0.00 57.90 61.23 1e9j n TYR 89 Cb 0.49 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 39.17 1e9j n TYR 89 CO 0.00 0.00 0.00 -2.39 0.22 0.00 0.00 176.86 174.69 1e9j n HIS 90 N 0.00 0.00 0.26 2.98 1.44 -1.26 -4.85 115.22 113.79 1e9j n HIS 90 Ca 0.00 -0.31 0.11 0.00 -2.01 0.00 0.00 57.72 55.51 1e9j n HIS 90 Cb 0.00 0.29 -0.13 0.00 0.12 0.00 0.00 29.99 30.28 1e9j n HIS 90 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1e9j n LYS 91 N 0.07 0.49 -0.90 -1.40 4.76 -1.26 -4.98 118.16 114.93 1e9j n LYS 91 Ca -0.13 -0.11 0.00 0.00 -2.87 0.00 0.00 58.31 55.20 1e9j n LYS 91 Cb 0.70 -1.55 0.00 0.00 -1.84 0.00 0.00 35.03 32.34 1e9j n LYS 91 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46