#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1e9j n PRO 2 N 0.00 1.43 -1.44 0.00 -0.05 -1.26 -4.88 135.00 128.80 1e9j n PRO 2 Ca 0.00 -0.55 -0.16 0.00 -0.05 0.00 0.00 63.50 62.75 1e9j n PRO 2 Cb 0.00 -1.40 -0.14 0.00 -0.05 0.00 0.00 33.50 31.91 1e9j n PRO 2 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 175.50 171.98 1e9j n ASP 3 N 0.17 -0.46 -1.76 3.54 -0.08 -1.26 -4.75 116.55 111.94 1e9j n ASP 3 Ca 0.08 -1.10 -0.06 0.00 -1.51 0.00 0.00 54.79 52.20 1e9j n ASP 3 Cb 0.58 -0.94 -0.02 0.00 2.34 0.00 0.00 41.12 43.08 1e9j n ASP 3 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 1e9j n VAL 4 N 6.52 0.00 -1.57 5.18 0.24 -1.26 -5.12 118.33 122.31 1e9j n VAL 4 Ca 0.50 -0.76 -0.47 0.00 -2.04 0.00 0.00 64.34 61.57 1e9j n VAL 4 Cb 0.30 0.42 -0.03 0.00 -1.47 0.00 0.00 33.84 33.06 1e9j n VAL 4 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1e9j n GLN 5 N -0.22 1.19 0.00 7.34 10.64 -1.26 -4.94 117.38 130.13 1e9j n GLN 5 Ca 0.02 0.42 0.00 0.00 -1.83 0.00 0.00 57.00 55.60 1e9j n GLN 5 Cb 0.21 -1.83 0.00 0.00 -0.86 0.00 0.00 30.24 27.76 1e9j n GLN 5 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 1e9j n ASP 6 N 1.67 0.00 -3.46 2.61 9.92 -1.26 -5.12 116.55 120.90 1e9j n ASP 6 Ca 0.13 0.00 -0.28 0.00 -0.53 0.00 0.00 54.79 54.10 1e9j n ASP 6 Cb 0.28 0.00 -0.11 0.00 -0.64 0.00 0.00 41.12 40.64 1e9j n ASP 6 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1e9j n PRO 8 N 3.63 -1.08 -1.42 0.00 -0.04 -1.26 -4.14 135.00 130.68 1e9j n PRO 8 Ca 0.17 -0.30 -0.48 0.00 -0.04 0.00 0.00 63.50 62.85 1e9j n PRO 8 Cb 0.40 -1.46 -0.03 0.00 -0.04 0.00 0.00 33.50 32.37 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 -0.51 0.14 -2.36 0.54 4.07 -1.26 -1.13 120.64 120.12 1e9j n GLU 9 Ca -0.00 0.05 -0.42 0.00 -0.06 0.00 0.00 57.16 56.72 1e9j n GLU 9 Cb 0.67 -1.10 -0.03 0.00 -0.06 0.00 0.00 31.44 30.92 1e9j n GLU 9 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1e9j n THR 11 N 4.05 0.00 -4.49 0.00 5.66 -1.26 -4.83 114.28 113.42 1e9j n THR 11 Ca 0.10 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.83 1e9j n THR 11 Cb 0.45 0.00 -0.13 0.00 -1.55 0.00 0.00 70.33 69.10 1e9j n THR 11 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1e9j s LEU 12 N 0.00 2.26 -0.65 1.09 1.02 -1.26 0.17 118.68 121.31 1e9j s LEU 12 Ca 0.00 -0.67 0.01 0.00 0.02 0.00 0.00 54.13 53.49 1e9j s LEU 12 Cb 0.00 -1.09 0.40 0.00 0.02 0.00 0.00 46.19 45.51 1e9j s LEU 12 CO 0.00 0.15 1.71 0.00 0.02 0.00 0.00 176.35 178.24 1e9j n GLN 13 N 1.26 3.00 0.00 1.70 6.02 -1.26 -4.16 117.38 123.94 1e9j n GLN 13 Ca -0.18 -3.79 0.00 0.00 -0.01 0.00 0.00 57.00 53.02 1e9j n GLN 13 Cb 0.53 -2.27 0.00 0.00 1.02 0.00 0.00 30.24 29.52 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 -0.62 0.00 -2.40 -1.09 2.13 -1.23 -4.43 120.64 113.00 1e9j n GLU 14 Ca 0.51 0.00 -0.43 0.00 0.66 0.00 0.00 57.16 57.90 1e9j n GLU 14 Cb 0.50 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 32.19 1e9j n GLU 14 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1e9j s ASN 15 N 0.00 6.55 0.00 4.31 2.20 0.30 -4.69 114.94 123.61 1e9j s ASN 15 Ca 0.00 1.06 0.05 0.00 -0.94 0.00 0.00 52.86 53.03 1e9j s ASN 15 Cb 0.00 -2.54 0.31 0.00 -2.00 0.00 0.00 41.25 37.02 1e9j s ASN 15 CO 0.00 -1.21 1.17 -0.81 -2.94 0.00 0.00 177.10 173.31 1e9j n PRO 16 N 7.60 0.97 -0.06 3.55 -0.05 -1.26 -2.76 135.00 142.99 1e9j n PRO 16 Ca 0.15 0.00 -0.03 0.00 -0.05 0.00 0.00 63.50 63.57 1e9j n PRO 16 Cb 0.47 -1.08 -0.01 0.00 -0.05 0.00 0.00 33.50 32.82 1e9j n PRO 16 CO 0.00 0.00 0.00 0.35 -0.05 0.00 0.00 175.50 175.80 1e9j h PHE 17 N 0.00 0.00 0.00 0.54 3.04 -1.96 -3.36 116.94 115.20 1e9j h PHE 17 Ca 0.00 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.94 1e9j h PHE 17 Cb 0.00 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 38.51 1e9j h PHE 17 CO 0.00 0.07 -0.04 0.35 -2.02 0.00 0.00 178.31 176.67 1e9j h PHE 18 N -1.00 0.00 0.00 0.41 3.04 -1.93 -3.47 116.94 113.99 1e9j h PHE 18 Ca -0.01 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.94 1e9j h PHE 18 Cb 0.33 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.84 1e9j h PHE 18 CO -0.11 0.04 0.00 -1.13 -2.02 0.00 0.00 178.31 175.09 1e9j n SER 19 N -3.13 0.00 -4.13 0.41 3.41 -1.11 -4.80 113.62 104.27 1e9j n SER 19 Ca 0.02 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.48 1e9j n SER 19 Cb 0.40 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.24 1e9j n SER 19 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1e9j s GLN 20 N 0.00 0.72 -0.74 4.33 0.74 0.57 -4.96 119.66 120.32 1e9j s GLN 20 Ca 0.00 -0.96 -0.12 0.00 0.05 0.00 0.00 55.36 54.33 1e9j s GLN 20 Cb 0.00 -0.51 -0.21 0.00 1.10 0.00 0.00 33.01 33.39 1e9j s GLN 20 CO 0.00 0.09 1.94 -2.30 -0.55 0.00 0.00 175.29 174.47 1e9j n PRO 21 N 1.07 0.12 0.00 1.67 -0.02 -1.26 0.26 135.00 136.83 1e9j n PRO 21 Ca -0.20 -0.33 0.00 0.00 -2.02 0.00 0.00 63.50 60.95 1e9j n PRO 21 Cb 0.56 -1.81 0.00 0.00 -0.02 0.00 0.00 33.50 32.23 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 5.59 1.01 3.09 -1.23 0.00 -1.26 -5.05 105.19 107.33 1e9j n GLY 22 Ca 0.46 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.46 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 -2.00 -1.97 -1.01 4.61 0.00 0.71 -5.08 121.76 117.02 1e9j s ALA 23 Ca 0.00 0.41 -0.06 0.00 0.00 0.00 0.00 51.96 52.30 1e9j s ALA 23 Cb 0.00 -2.47 0.25 0.00 0.00 0.00 0.00 23.12 20.90 1e9j s ALA 23 CO 0.00 -1.98 0.97 -1.25 0.00 0.00 0.00 175.76 173.49 1e9j s PRO 24 N 2.30 3.82 0.29 0.00 0.04 -1.26 0.21 135.00 140.39 1e9j s PRO 24 Ca 0.13 -3.20 0.00 0.00 0.04 0.00 0.00 61.00 57.96 1e9j s PRO 24 Cb -0.09 -4.32 0.00 0.00 0.04 0.00 0.00 34.50 30.13 1e9j s PRO 24 CO -0.18 -1.25 0.00 -0.89 0.04 0.00 0.00 177.00 174.72 1e9j n ILE 25 N 2.63 0.00 -1.55 0.56 2.08 -1.22 -4.29 119.36 117.57 1e9j n ILE 25 Ca 0.22 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.53 1e9j n ILE 25 Cb 0.39 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.28 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 0.00 0.00 0.00 1.39 4.77 -1.26 0.11 117.00 122.01 1e9j n LEU 26 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1e9j n LEU 26 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1e9j n LEU 26 CO 0.00 0.00 0.00 1.67 -1.33 0.00 0.00 177.39 177.73 1e9j n GLN 27 N 0.00 0.00 0.00 3.23 0.00 -1.25 -4.05 117.38 115.31 1e9j n GLN 27 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 1e9j n GLN 27 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 1e9j n GLN 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1e9j n MET 29 N 1.32 0.00 0.00 0.00 1.56 0.46 -4.50 117.12 115.95 1e9j n MET 29 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.43 1e9j n MET 29 Cb 0.00 -0.08 0.00 0.00 2.15 0.00 0.00 33.22 35.29 1e9j n MET 29 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1e9j n GLY 30 N 1.01 -0.74 3.65 -5.12 0.00 -0.99 -4.81 105.19 98.19 1e9j n GLY 30 Ca 0.00 -1.16 -0.02 0.00 0.00 0.00 0.00 46.02 44.84 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 1.71 -0.72 -0.73 0.00 3.72 -1.26 -4.71 117.46 115.48 1e9j n PHE 33 Ca 0.18 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.43 1e9j n PHE 33 Cb 0.03 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.49 1e9j n PHE 33 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1e9j n SER 34 N -0.10 4.28 -0.10 4.37 7.64 -1.26 -4.91 113.62 123.54 1e9j n SER 34 Ca 0.00 -2.23 0.00 0.00 1.01 0.00 0.00 58.87 57.65 1e9j n SER 34 Cb 0.00 -1.02 -0.00 0.00 -1.01 0.00 0.00 64.21 62.18 1e9j n SER 34 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 1e9j n ARG 35 N 3.20 -0.01 -1.28 1.43 1.85 -1.26 -4.49 116.66 116.10 1e9j n ARG 35 Ca 0.37 0.01 -0.50 0.00 -1.00 0.00 0.00 57.85 56.72 1e9j n ARG 35 Cb 0.43 -0.01 -0.07 0.00 -1.05 0.00 0.00 32.46 31.76 1e9j n ARG 35 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1e9j n ALA 36 N -0.02 -2.82 -0.92 2.89 0.00 -1.26 -4.73 120.51 113.65 1e9j n ALA 36 Ca 0.00 0.48 -0.29 0.00 0.00 0.00 0.00 53.44 53.63 1e9j n ALA 36 Cb 0.00 -1.48 0.01 0.00 0.00 0.00 0.00 19.45 17.98 1e9j n ALA 36 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1e9j n TYR 37 N 1.56 -2.48 -0.80 0.00 4.01 -1.26 -4.40 117.16 113.79 1e9j n TYR 37 Ca 0.18 0.29 -0.33 0.00 -0.16 0.00 0.00 57.90 57.88 1e9j n TYR 37 Cb 0.05 -1.25 -0.05 0.00 -0.31 0.00 0.00 39.34 37.77 1e9j n TYR 37 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1e9j n PRO 38 N 1.26 0.00 -3.59 -0.72 -0.02 -1.26 -4.90 135.00 125.77 1e9j n PRO 38 Ca 0.05 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.45 1e9j n PRO 38 Cb 0.37 -0.76 -0.04 0.00 -0.02 0.00 0.00 33.50 33.04 1e9j n PRO 38 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1e9j s THR 39 N 2.08 0.00 -0.01 3.45 -1.32 -1.26 -5.01 115.64 113.57 1e9j s THR 39 Ca 0.56 0.00 -0.20 0.00 -1.21 0.00 0.00 61.69 60.84 1e9j s THR 39 Cb -0.76 -1.00 -0.28 0.00 -1.51 0.00 0.00 72.50 68.94 1e9j s THR 39 CO 0.39 0.00 1.01 1.55 -2.21 0.00 0.00 174.62 175.36 1e9j h PRO 40 N 2.33 0.40 -0.00 7.08 0.13 -1.91 -3.42 132.00 136.61 1e9j h PRO 40 Ca -0.15 -0.55 -0.14 0.00 -0.87 0.00 0.00 66.00 64.28 1e9j h PRO 40 Cb 1.18 0.19 -0.21 0.00 0.13 0.00 0.00 31.00 32.29 1e9j h PRO 40 CO 0.28 1.22 -0.51 -0.11 -0.23 0.00 0.00 178.00 178.65 1e9j n LEU 41 N -4.09 -0.42 0.00 1.56 -0.00 -1.26 -4.95 117.00 107.84 1e9j n LEU 41 Ca -0.13 -2.01 0.00 0.00 -0.00 0.00 0.00 56.01 53.88 1e9j n LEU 41 Cb 0.80 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.22 1e9j n LEU 41 CO 0.50 1.21 0.00 -1.14 -0.00 0.00 0.00 177.39 177.96 1e9j n ARG 42 N 0.14 0.00 -4.64 1.96 3.00 -1.26 -4.96 116.66 110.89 1e9j n ARG 42 Ca -0.18 0.00 -0.33 0.00 -0.00 0.00 0.00 57.85 57.34 1e9j n ARG 42 Cb 0.83 -1.20 -0.13 0.00 0.00 0.00 0.00 32.46 31.96 1e9j n ARG 42 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 1e9j s SER 43 N -3.05 4.36 0.00 6.15 0.01 -1.26 -4.90 113.70 115.02 1e9j s SER 43 Ca 0.00 -0.21 0.00 0.00 1.31 0.00 0.00 55.95 57.05 1e9j s SER 43 Cb 0.00 -1.54 0.00 0.00 0.21 0.00 0.00 66.02 64.69 1e9j s SER 43 CO 0.00 0.21 0.00 1.17 0.41 0.00 0.00 173.24 175.03 1e9j n LYS 44 N 3.24 0.00 -3.93 12.44 4.81 -1.26 -4.24 118.16 129.22 1e9j n LYS 44 Ca -0.18 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.12 1e9j n LYS 44 Cb 0.53 -0.23 -0.15 0.00 0.02 0.00 0.00 35.03 35.20 1e9j n LYS 44 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1e9j s LYS 45 N 0.00 0.15 -0.15 1.64 1.02 -1.26 -4.95 119.74 116.19 1e9j s LYS 45 Ca 0.00 -0.00 -0.03 0.00 0.02 0.00 0.00 55.97 55.96 1e9j s LYS 45 Cb 0.00 -0.22 0.00 0.00 -0.52 0.00 0.00 37.83 37.10 1e9j s LYS 45 CO 0.00 -0.02 0.13 2.41 -0.92 0.00 0.00 175.35 176.94 1e9j n THR 46 N 3.40 -0.70 -1.59 2.17 -1.04 -1.26 -4.82 114.28 110.45 1e9j n THR 46 Ca -0.17 0.00 0.06 0.00 -2.04 0.00 0.00 64.05 61.90 1e9j n THR 46 Cb 0.56 -0.63 0.13 0.00 -1.82 0.00 0.00 70.33 68.58 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 -0.66 1.06 -2.61 -2.82 1.56 -1.26 -4.96 117.12 107.42 1e9j n MET 47 Ca -0.05 -2.58 -0.04 0.00 -0.27 0.00 0.00 57.70 54.76 1e9j n MET 47 Cb 0.14 -1.21 -0.01 0.00 2.15 0.00 0.00 33.22 34.29 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 -0.87 -0.08 -0.99 -0.89 7.94 -1.26 -4.38 117.00 116.46 1e9j n LEU 48 Ca 0.14 0.30 0.09 0.00 -1.11 0.00 0.00 56.01 55.43 1e9j n LEU 48 Cb 0.74 -1.01 -0.05 0.00 0.53 0.00 0.00 43.42 43.63 1e9j n LEU 48 CO -0.02 0.01 -0.30 1.33 -1.11 0.00 0.00 177.39 177.30 1e9j n VAL 49 N -2.53 -0.33 -3.62 1.96 0.24 -1.26 -5.05 118.33 107.74 1e9j n VAL 49 Ca 0.01 0.42 -0.04 0.00 -2.04 0.00 0.00 64.34 62.69 1e9j n VAL 49 Cb 0.47 -0.67 -0.03 0.00 -1.47 0.00 0.00 33.84 32.14 1e9j n VAL 49 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1e9j s GLN 50 N -4.17 0.21 0.31 7.34 -0.21 -1.26 -5.13 119.66 116.75 1e9j s GLN 50 Ca 0.00 -0.03 0.00 0.00 0.02 0.00 0.00 55.36 55.35 1e9j s GLN 50 Cb 0.00 0.10 0.00 0.00 1.00 0.00 0.00 33.01 34.11 1e9j s GLN 50 CO 0.00 -0.08 0.00 1.63 -2.12 0.00 0.00 175.29 174.72 1e9j n LYS 51 N 0.17 -4.50 -0.52 2.91 5.02 -1.26 -4.90 118.16 115.08 1e9j n LYS 51 Ca 0.00 3.25 0.00 0.00 -2.02 0.00 0.00 58.31 59.54 1e9j n LYS 51 Cb 0.58 -3.56 0.00 0.00 -0.02 0.00 0.00 35.03 32.03 1e9j n LYS 51 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1e9j n ASN 52 N 0.53 0.00 -1.50 4.39 3.02 -1.26 -5.02 115.26 115.42 1e9j n ASN 52 Ca 0.00 -0.62 0.16 0.00 -0.03 0.00 0.00 54.58 54.09 1e9j n ASN 52 Cb 0.00 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.08 1e9j n ASN 52 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1e9j n VAL 53 N -0.71 -1.19 0.00 2.41 0.31 -1.26 -5.01 118.33 112.87 1e9j n VAL 53 Ca 0.00 1.05 0.00 0.00 -0.01 0.00 0.00 64.34 65.38 1e9j n VAL 53 Cb 0.00 -1.60 0.00 0.00 -0.91 0.00 0.00 33.84 31.33 1e9j n VAL 53 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1e9j n THR 54 N -4.25 0.00 -0.85 2.52 -2.24 -1.26 -5.07 114.28 103.14 1e9j n THR 54 Ca -0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 1e9j n THR 54 Cb 0.69 -0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 1e9j n THR 54 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1e9j n SER 55 N -1.63 -5.12 0.00 3.42 2.88 -1.26 -5.00 113.62 106.91 1e9j n SER 55 Ca 0.00 0.65 0.00 0.00 -1.33 0.00 0.00 58.87 58.19 1e9j n SER 55 Cb 0.00 -2.01 0.00 0.00 -0.75 0.00 0.00 64.21 61.45 1e9j n SER 55 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1e9j n GLU 56 N -0.74 0.00 -2.06 -1.46 2.13 -1.26 -5.07 120.64 112.19 1e9j n GLU 56 Ca 0.00 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 57.80 1e9j n GLU 56 Cb 0.00 -0.28 -0.00 0.00 0.27 0.00 0.00 31.44 31.43 1e9j n GLU 56 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1e9j n SER 57 N -0.55 1.85 0.00 4.31 7.64 -1.26 -5.11 113.62 120.50 1e9j n SER 57 Ca 0.00 -1.15 0.00 0.00 1.01 0.00 0.00 58.87 58.73 1e9j n SER 57 Cb 0.00 0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 1e9j n SER 57 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1e9j n THR 58 N -0.22 0.00 0.00 0.44 -2.24 -1.26 -4.96 114.28 106.05 1e9j n THR 58 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1e9j n THR 58 Cb 0.04 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.27 1e9j n THR 58 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1e9j n VAL 61 N -1.58 0.00 -0.75 0.00 3.14 -0.28 -4.64 118.33 114.21 1e9j n VAL 61 Ca 0.00 -1.14 0.00 0.00 -2.96 0.00 0.00 64.34 60.24 1e9j n VAL 61 Cb 0.38 1.32 0.00 0.00 -1.06 0.00 0.00 33.84 34.48 1e9j n VAL 61 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1e9j n ALA 62 N 0.68 -1.01 -0.30 1.55 0.00 -1.24 -4.60 120.51 115.59 1e9j n ALA 62 Ca 0.02 0.00 0.30 0.00 0.00 0.00 0.00 53.44 53.76 1e9j n ALA 62 Cb 0.71 -0.12 0.66 0.00 0.00 0.00 0.00 19.45 20.70 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 2.71 0.14 -2.21 0.00 3.64 1.19 -3.36 116.57 118.68 1e9j h LYS 63 Ca 0.00 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.27 1e9j h LYS 63 Cb 0.01 -0.03 -0.28 0.00 -0.41 0.00 0.00 32.23 31.52 1e9j h LYS 63 CO 0.00 0.09 -0.40 -1.54 -2.27 0.00 0.00 179.45 175.34 1e9j s SER 64 N -5.29 -0.17 0.25 4.20 1.04 -0.86 -4.93 113.70 107.95 1e9j s SER 64 Ca -0.06 0.74 0.05 0.00 0.48 0.00 0.00 55.95 57.15 1e9j s SER 64 Cb 0.24 1.34 -0.03 0.00 0.10 0.00 0.00 66.02 67.66 1e9j s SER 64 CO 0.80 -0.26 0.36 -0.72 0.98 0.00 0.00 173.24 174.41 1e9j s TYR 65 N 2.61 3.42 -0.11 5.02 -0.85 -1.25 0.25 117.35 126.45 1e9j s TYR 65 Ca 0.04 -0.04 0.19 0.00 -0.52 0.00 0.00 57.07 56.75 1e9j s TYR 65 Cb -0.13 -1.60 0.43 0.00 0.38 0.00 0.00 41.96 41.04 1e9j s TYR 65 CO -0.14 0.41 1.19 0.09 -1.52 0.00 0.00 175.55 175.58 1e9j n ASN 66 N -1.42 1.39 0.00 -0.18 4.13 0.25 -4.76 115.26 114.68 1e9j n ASN 66 Ca -0.08 -2.92 0.00 0.00 1.68 0.00 0.00 54.58 53.26 1e9j n ASN 66 Cb 0.57 -0.41 0.00 0.00 -1.54 0.00 0.00 39.78 38.40 1e9j n ASN 66 CO 0.00 0.00 0.00 -2.11 0.28 0.00 0.00 177.26 175.43 1e9j n ARG 67 N -0.29 0.00 -2.69 3.52 1.85 -1.22 -3.79 116.66 114.04 1e9j n ARG 67 Ca 0.13 0.00 -0.19 0.00 -1.00 0.00 0.00 57.85 56.79 1e9j n ARG 67 Cb 0.93 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 32.34 1e9j n ARG 67 CO 0.00 0.00 0.00 1.33 -0.01 0.00 0.00 177.63 178.95 1e9j n VAL 68 N 0.00 1.63 0.00 8.89 0.24 -1.26 -4.66 118.33 123.17 1e9j n VAL 68 Ca 0.00 -4.26 0.00 0.00 -2.04 0.00 0.00 64.34 58.04 1e9j n VAL 68 Cb 0.00 -0.43 0.00 0.00 -1.47 0.00 0.00 33.84 31.94 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 -0.20 0.00 -2.87 3.34 -1.04 -1.13 -4.73 114.28 107.65 1e9j n THR 69 Ca 0.25 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.26 1e9j n THR 69 Cb 0.69 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.20 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 0.00 0.00 -1.13 12.58 0.31 0.55 -4.65 118.33 125.99 1e9j n VAL 70 Ca 0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 63.95 1e9j n VAL 70 Cb 0.00 -0.38 -0.02 0.00 -0.91 0.00 0.00 33.84 32.53 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 -0.09 0.00 -0.92 5.55 2.81 -1.26 0.17 117.12 123.37 1e9j n MET 71 Ca 0.00 0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 55.87 1e9j n MET 71 Cb 0.00 -0.82 -0.01 0.00 -0.71 0.00 0.00 33.22 31.68 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 1.69 0.19 1.45 3.03 0.00 -1.26 -2.15 105.19 108.13 1e9j n GLY 72 Ca 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.15 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 0.72 0.73 3.46 -0.02 0.00 0.46 -5.02 105.19 105.52 1e9j n GLY 73 Ca -0.02 -0.30 -0.43 0.00 0.00 0.00 0.00 46.02 45.27 1e9j n GLY 73 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1e9j s PHE 74 N -3.02 3.12 -0.60 1.61 0.40 0.12 -4.68 117.98 114.94 1e9j s PHE 74 Ca 0.01 -0.46 -0.18 0.00 -0.60 0.00 0.00 56.93 55.70 1e9j s PHE 74 Cb -0.00 -3.20 0.12 0.00 0.51 0.00 0.00 43.02 40.44 1e9j s PHE 74 CO 0.03 -0.85 0.65 0.15 0.70 0.00 0.00 175.22 175.90 1e9j s LYS 75 N 2.33 3.07 -0.05 0.44 3.01 -1.26 0.21 119.74 127.48 1e9j s LYS 75 Ca 0.13 -1.51 0.07 0.00 -1.01 0.00 0.00 55.97 53.65 1e9j s LYS 75 Cb -0.18 -4.30 0.29 0.00 -1.01 0.00 0.00 37.83 32.62 1e9j s LYS 75 CO 0.13 -1.47 1.07 1.33 0.51 0.00 0.00 175.35 176.92 1e9j n VAL 76 N 5.37 0.77 -2.62 3.17 0.24 -1.26 -4.83 118.33 119.17 1e9j n VAL 76 Ca -0.09 -0.47 -0.16 0.00 -2.04 0.00 0.00 64.34 61.58 1e9j n VAL 76 Cb 0.42 -0.16 -0.03 0.00 -1.47 0.00 0.00 33.84 32.60 1e9j n VAL 76 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 1e9j n GLU 77 N 0.27 -1.11 0.00 7.34 0.00 -1.26 -1.92 120.64 123.97 1e9j n GLU 77 Ca 0.10 0.05 0.00 0.00 0.00 0.00 0.00 57.16 57.31 1e9j n GLU 77 Cb 0.45 -2.24 0.00 0.00 0.00 0.00 0.00 31.44 29.66 1e9j n GLU 77 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 1e9j n ASN 78 N -0.75 0.00 -4.39 -1.84 5.15 -1.25 -0.69 115.26 111.49 1e9j n ASN 78 Ca 0.04 0.00 -0.52 0.00 -0.60 0.00 0.00 54.58 53.50 1e9j n ASN 78 Cb 0.22 0.00 -0.09 0.00 -0.53 0.00 0.00 39.78 39.38 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 1.39 0.13 1.20 8.25 -0.81 0.86 115.22 126.25 1e9j n HIS 79 Ca 0.00 0.42 0.08 0.00 -0.26 0.00 0.00 57.72 57.96 1e9j n HIS 79 Cb 0.00 -2.45 0.04 0.00 1.12 0.00 0.00 29.99 28.70 1e9j n HIS 79 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 1e9j h THR 80 N 7.16 0.27 -1.87 1.59 1.35 0.33 -3.47 112.91 118.26 1e9j h THR 80 Ca -0.20 -1.43 -0.01 0.00 -0.55 0.00 0.00 66.41 64.21 1e9j h THR 80 Cb 1.35 1.93 -0.21 0.00 -1.73 0.00 0.00 68.15 69.49 1e9j h THR 80 CO 1.07 0.15 0.27 0.00 -0.25 0.00 0.00 175.52 176.76 1e9j s ALA 81 N -3.16 -1.83 -0.10 6.62 0.00 -0.82 -4.88 121.76 117.60 1e9j s ALA 81 Ca 0.02 1.65 0.02 0.00 0.00 0.00 0.00 51.96 53.65 1e9j s ALA 81 Cb 0.08 -0.66 0.01 0.00 0.00 0.00 0.00 23.12 22.55 1e9j s ALA 81 CO 0.75 -0.33 -0.16 0.00 0.00 0.00 0.00 175.76 176.02 1e9j s HIS 83 N 0.80 0.68 0.07 0.00 -3.43 -1.26 -4.61 115.29 107.54 1e9j s HIS 83 Ca -0.10 -0.13 -0.31 0.00 -0.80 0.00 0.00 55.06 53.72 1e9j s HIS 83 Cb -0.16 -0.44 -0.08 0.00 -1.43 0.00 0.00 32.58 30.47 1e9j s HIS 83 CO 0.01 -0.02 1.56 0.00 -2.00 0.00 0.00 174.74 174.30 1e9j n SER 85 N 5.21 0.00 0.00 0.00 2.88 -0.94 -4.72 113.62 116.05 1e9j n SER 85 Ca 0.15 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.69 1e9j n SER 85 Cb 0.41 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.87 1e9j n SER 85 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1e9j n THR 86 N 0.00 0.00 -1.91 2.46 5.66 -1.26 -2.51 114.28 116.72 1e9j n THR 86 Ca 0.00 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 60.98 1e9j n THR 86 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1e9j n THR 86 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1e9j n TYR 88 N -0.22 -0.42 -0.94 0.00 0.18 -1.26 -4.94 117.16 109.56 1e9j n TYR 88 Ca 0.03 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.81 1e9j n TYR 88 Cb 0.10 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.06 1e9j n TYR 88 CO 0.00 0.00 0.00 0.66 -2.08 0.00 0.00 176.86 175.44 1e9j n TYR 89 N 0.00 -2.08 0.00 -3.48 4.01 -1.26 -4.52 117.16 109.84 1e9j n TYR 89 Ca 0.00 1.15 0.00 0.00 -0.16 0.00 0.00 57.90 58.89 1e9j n TYR 89 Cb 0.00 -2.55 0.00 0.00 -0.31 0.00 0.00 39.34 36.48 1e9j n TYR 89 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1e9j n HIS 90 N 0.29 0.00 -3.98 -0.72 8.25 -1.26 -4.14 115.22 113.67 1e9j n HIS 90 Ca 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.36 1e9j n HIS 90 Cb 0.00 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 30.99 1e9j n HIS 90 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1e9j s LYS 91 N 0.00 0.28 0.00 -0.41 -2.85 -1.26 -5.29 119.74 110.22 1e9j s LYS 91 Ca 0.00 -0.49 0.00 0.00 -1.00 0.00 0.00 55.97 54.48 1e9j s LYS 91 Cb 0.00 0.01 0.00 0.00 -2.06 0.00 0.00 37.83 35.78 1e9j s LYS 91 CO 0.00 -0.02 0.00 0.45 0.10 0.00 0.00 175.35 175.88