#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 0.50 0.00 0.00 0.13 -2.09 -3.46 132.00 127.09 1e9j h PRO 2 Ca 0.00 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 1e9j h PRO 2 Cb 0.00 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.02 1e9j h PRO 2 CO 0.00 0.33 0.00 -0.40 -0.23 0.00 0.00 178.00 177.70 1e9j n ASP 3 N -4.94 2.42 -0.15 1.44 5.75 -1.26 -5.05 116.55 114.76 1e9j n ASP 3 Ca 0.26 0.00 0.05 0.00 -0.01 0.00 0.00 54.79 55.09 1e9j n ASP 3 Cb 0.73 0.00 0.07 0.00 -1.03 0.00 0.00 41.12 40.89 1e9j n ASP 3 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 1e9j n VAL 4 N 0.00 1.12 -1.56 2.12 0.24 -1.26 -4.97 118.33 114.01 1e9j n VAL 4 Ca 0.00 -1.31 -0.09 0.00 -2.04 0.00 0.00 64.34 60.90 1e9j n VAL 4 Cb 0.00 0.18 -0.03 0.00 -1.47 0.00 0.00 33.84 32.52 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 -0.81 -1.51 -3.01 7.34 1.13 -1.26 0.35 117.38 119.61 1e9j n GLN 5 Ca 0.08 0.50 -0.20 0.00 -1.94 0.00 0.00 57.00 55.44 1e9j n GLN 5 Cb 0.57 -4.77 0.04 0.00 0.11 0.00 0.00 30.24 26.19 1e9j n GLN 5 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1e9j n ASP 6 N -0.44 -5.64 -3.69 1.08 8.00 -1.26 -5.00 116.55 109.61 1e9j n ASP 6 Ca -0.09 -0.29 -0.10 0.00 0.71 0.00 0.00 54.79 55.02 1e9j n ASP 6 Cb 0.36 -4.43 -0.10 0.00 -0.02 0.00 0.00 41.12 36.93 1e9j n ASP 6 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1e9j n PRO 8 N 4.47 0.19 -3.30 0.00 -0.04 -1.26 -4.80 135.00 130.25 1e9j n PRO 8 Ca -0.21 0.00 -0.44 0.00 -0.04 0.00 0.00 63.50 62.81 1e9j n PRO 8 Cb 0.54 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.93 1e9j n PRO 8 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1e9j s GLU 9 N -2.42 3.04 -0.00 0.54 2.12 -1.22 -1.71 118.70 119.05 1e9j s GLU 9 Ca 0.00 -1.17 -0.18 0.00 0.36 0.00 0.00 54.97 53.99 1e9j s GLU 9 Cb 0.00 -4.12 -0.09 0.00 0.26 0.00 0.00 34.13 30.18 1e9j s GLU 9 CO 0.00 -1.10 0.47 0.00 -0.54 0.00 0.00 175.26 174.09 1e9j n THR 11 N 0.67 0.00 -3.02 0.00 5.66 -1.25 -4.87 114.28 111.47 1e9j n THR 11 Ca 0.09 0.00 -0.40 0.00 -3.05 0.00 0.00 64.05 60.69 1e9j n THR 11 Cb 0.04 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 68.76 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 4.50 -0.77 1.09 1.02 -1.26 0.30 118.68 123.56 1e9j s LEU 12 Ca 0.00 1.49 0.03 0.00 0.02 0.00 0.00 54.13 55.66 1e9j s LEU 12 Cb 0.00 -3.21 0.32 0.00 0.02 0.00 0.00 46.19 43.32 1e9j s LEU 12 CO 0.00 0.11 1.22 0.00 0.02 0.00 0.00 176.35 177.69 1e9j n GLN 13 N 2.31 3.88 0.00 1.70 6.02 -1.14 -4.76 117.38 125.39 1e9j n GLN 13 Ca -0.04 -4.75 0.00 0.00 -0.01 0.00 0.00 57.00 52.20 1e9j n GLN 13 Cb 0.50 -2.34 0.00 0.00 1.02 0.00 0.00 30.24 29.42 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 0.15 0.00 -1.51 -1.09 2.13 -1.26 -4.37 120.64 114.69 1e9j n GLU 14 Ca 0.35 0.00 -0.47 0.00 0.66 0.00 0.00 57.16 57.69 1e9j n GLU 14 Cb 0.35 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 32.01 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 0.00 2.64 -0.43 4.31 5.15 0.17 -4.73 115.26 122.37 1e9j n ASN 15 Ca 0.00 0.32 0.00 0.00 -0.60 0.00 0.00 54.58 54.30 1e9j n ASN 15 Cb 0.00 -1.39 0.00 0.00 -0.53 0.00 0.00 39.78 37.86 1e9j n ASN 15 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1e9j n PRO 16 N 8.43 0.68 0.03 1.20 -0.04 -1.26 -1.63 135.00 142.40 1e9j n PRO 16 Ca 0.36 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.82 1e9j n PRO 16 Cb 0.33 -1.29 0.00 0.00 -0.04 0.00 0.00 33.50 32.50 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 0.07 -0.31 0.74 0.54 -0.00 -1.26 -4.77 117.46 112.46 1e9j n PHE 17 Ca 0.00 0.06 0.12 0.00 -0.00 0.00 0.00 57.45 57.63 1e9j n PHE 17 Cb 0.14 0.19 0.49 0.00 -0.00 0.00 0.00 39.48 40.30 1e9j n PHE 17 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 1e9j n PHE 18 N -3.05 0.37 -1.64 -5.13 -0.00 -1.20 -4.78 117.46 102.03 1e9j n PHE 18 Ca 0.00 0.12 -0.41 0.00 -0.00 0.00 0.00 57.45 57.15 1e9j n PHE 18 Cb 0.22 -0.69 -0.03 0.00 -0.00 0.00 0.00 39.48 38.98 1e9j n PHE 18 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.76 175.64 1e9j s SER 19 N -3.59 5.26 0.05 -2.13 0.01 -0.65 -4.32 113.70 108.34 1e9j s SER 19 Ca 0.11 1.64 -0.01 0.00 1.31 0.00 0.00 55.95 59.00 1e9j s SER 19 Cb 0.14 -2.51 -0.04 0.00 0.21 0.00 0.00 66.02 63.83 1e9j s SER 19 CO 0.49 -2.15 -0.03 -1.10 0.41 0.00 0.00 173.24 170.86 1e9j s GLN 20 N 6.73 0.57 0.00 12.44 -1.52 0.31 -4.92 119.66 133.26 1e9j s GLN 20 Ca 0.98 -1.12 -0.17 0.00 -1.95 0.00 0.00 55.36 53.10 1e9j s GLN 20 Cb -0.28 0.16 -0.20 0.00 -0.22 0.00 0.00 33.01 32.47 1e9j s GLN 20 CO 0.33 -0.09 1.11 -2.30 -0.25 0.00 0.00 175.29 174.09 1e9j n PRO 21 N 0.37 0.00 0.00 2.91 -0.02 -1.26 0.10 135.00 137.10 1e9j n PRO 21 Ca -0.16 -0.60 0.00 0.00 -2.02 0.00 0.00 63.50 60.72 1e9j n PRO 21 Cb 0.60 -1.93 0.00 0.00 -0.02 0.00 0.00 33.50 32.14 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 4.30 0.34 2.99 -1.23 0.00 -1.26 -5.10 105.19 105.24 1e9j n GLY 22 Ca 0.25 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 0.00 -1.61 -0.89 4.61 0.00 0.28 -5.06 121.76 119.09 1e9j s ALA 23 Ca 0.00 0.62 0.00 0.00 0.00 0.00 0.00 51.96 52.59 1e9j s ALA 23 Cb 0.00 -2.18 0.31 0.00 0.00 0.00 0.00 23.12 21.24 1e9j s ALA 23 CO 0.00 -1.71 1.34 -0.35 0.00 0.00 0.00 175.76 175.05 1e9j n PRO 24 N 5.38 4.16 -0.41 0.00 -0.04 -1.26 0.11 135.00 142.94 1e9j n PRO 24 Ca 0.01 -4.67 0.00 0.00 -0.04 0.00 0.00 63.50 58.80 1e9j n PRO 24 Cb 0.51 -2.40 0.00 0.00 -0.04 0.00 0.00 33.50 31.57 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 0.55 0.00 -2.33 0.52 2.08 -1.26 -4.41 119.36 114.51 1e9j n ILE 25 Ca 0.34 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.65 1e9j n ILE 25 Cb 0.34 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.23 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 0.43 117.00 122.33 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 -0.79 3.23 7.27 -1.26 -3.92 117.38 121.90 1e9j n GLN 27 Ca 0.00 0.00 -0.37 0.00 0.07 0.00 0.00 57.00 56.70 1e9j n GLN 27 Cb 0.00 0.00 -0.07 0.00 2.41 0.00 0.00 30.24 32.58 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 3.33 0.22 0.00 0.00 1.75 0.86 -4.84 119.30 120.61 1e9j s MET 29 Ca 0.71 0.75 0.00 0.00 -1.25 0.00 0.00 55.69 55.90 1e9j s MET 29 Cb -0.90 0.01 0.00 0.00 2.84 0.00 0.00 34.83 36.78 1e9j s MET 29 CO 0.41 -0.24 0.00 0.41 -0.65 0.00 0.00 175.02 174.95 1e9j n GLY 30 N 4.98 -0.78 3.11 2.11 0.00 -1.26 -3.96 105.19 109.38 1e9j n GLY 30 Ca -0.13 -1.11 -0.27 0.00 0.00 0.00 0.00 46.02 44.51 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 -0.44 -2.06 -4.08 0.00 3.72 -1.26 -4.92 117.46 108.41 1e9j n PHE 33 Ca 0.36 0.16 -0.13 0.00 -0.05 0.00 0.00 57.45 57.78 1e9j n PHE 33 Cb 1.16 -0.05 -0.11 0.00 -0.94 0.00 0.00 39.48 39.54 1e9j n PHE 33 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1e9j s SER 34 N -4.26 0.94 -0.47 4.37 0.15 -1.26 -4.77 113.70 108.40 1e9j s SER 34 Ca 0.00 -0.60 0.04 0.00 0.70 0.00 0.00 55.95 56.09 1e9j s SER 34 Cb 0.00 0.04 0.17 0.00 -1.71 0.00 0.00 66.02 64.51 1e9j s SER 34 CO 0.00 -0.22 0.37 -0.60 1.20 0.00 0.00 173.24 173.99 1e9j s ARG 35 N -1.81 1.22 0.14 5.44 3.52 -1.26 -5.12 118.95 121.08 1e9j s ARG 35 Ca -0.07 -2.35 0.05 0.00 -0.13 0.00 0.00 55.73 53.23 1e9j s ARG 35 Cb -0.09 -1.83 -0.04 0.00 -1.56 0.00 0.00 34.95 31.44 1e9j s ARG 35 CO 0.00 -1.36 0.06 0.00 -0.81 0.00 0.00 175.30 173.18 1e9j s ALA 36 N -0.24 3.40 -0.29 6.12 0.00 -1.26 -5.07 121.76 124.43 1e9j s ALA 36 Ca 0.31 -1.21 0.03 0.00 0.00 0.00 0.00 51.96 51.09 1e9j s ALA 36 Cb 0.02 -1.23 0.17 0.00 0.00 0.00 0.00 23.12 22.08 1e9j s ALA 36 CO -0.19 0.58 0.48 -0.47 0.00 0.00 0.00 175.76 176.16 1e9j s TYR 37 N -1.59 -1.34 0.37 0.00 5.04 -1.26 -5.15 117.35 113.43 1e9j s TYR 37 Ca 0.28 0.72 -0.28 0.00 -2.44 0.00 0.00 57.07 55.36 1e9j s TYR 37 Cb -0.11 0.07 -0.10 0.00 0.35 0.00 0.00 41.96 42.17 1e9j s TYR 37 CO 0.21 -1.00 1.43 -2.14 -1.34 0.00 0.00 175.55 172.71 1e9j s PRO 38 N 2.66 4.13 -0.03 4.97 0.02 -1.26 -5.03 135.00 140.46 1e9j s PRO 38 Ca 0.11 2.46 -0.00 0.00 0.02 0.00 0.00 61.00 63.58 1e9j s PRO 38 Cb -0.12 -2.96 0.03 0.00 0.02 0.00 0.00 34.50 31.47 1e9j s PRO 38 CO -0.27 -0.47 0.04 0.99 -0.33 0.00 0.00 177.00 176.96 1e9j s THR 39 N -1.14 -0.07 -0.97 0.99 2.01 -1.26 -5.09 115.64 110.11 1e9j s THR 39 Ca 0.53 0.26 -0.24 0.00 0.31 0.00 0.00 61.69 62.55 1e9j s THR 39 Cb -0.44 -0.10 -0.01 0.00 0.01 0.00 0.00 72.50 71.95 1e9j s THR 39 CO 0.60 0.11 1.77 -2.16 -0.69 0.00 0.00 174.62 174.25 1e9j s PRO 40 N 1.30 2.94 0.00 4.92 0.04 -1.26 -4.94 135.00 138.00 1e9j s PRO 40 Ca -0.06 -0.67 0.00 0.00 0.04 0.00 0.00 61.00 60.31 1e9j s PRO 40 Cb -0.13 -5.19 0.00 0.00 0.04 0.00 0.00 34.50 29.23 1e9j s PRO 40 CO -0.03 -2.98 0.00 1.28 0.04 0.00 0.00 177.00 175.31 1e9j n LEU 41 N 12.12 0.00 0.00 -3.56 4.32 -1.26 -5.06 117.00 123.56 1e9j n LEU 41 Ca 0.38 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.37 1e9j n LEU 41 Cb 0.48 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.28 1e9j n LEU 41 CO 0.63 0.00 -0.40 -2.11 -1.22 0.00 0.00 177.39 174.29 1e9j n ARG 42 N 0.00 1.54 -2.80 3.23 1.85 -1.26 -5.10 116.66 114.11 1e9j n ARG 42 Ca 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 57.85 56.82 1e9j n ARG 42 Cb 0.00 -0.90 0.00 0.00 -1.05 0.00 0.00 32.46 30.52 1e9j n ARG 42 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1e9j n SER 43 N -2.00 -7.89 0.00 2.89 2.88 -1.26 -4.95 113.62 103.29 1e9j n SER 43 Ca 0.00 1.09 0.00 0.00 -1.33 0.00 0.00 58.87 58.63 1e9j n SER 43 Cb 0.40 -5.08 0.00 0.00 -0.75 0.00 0.00 64.21 58.78 1e9j n SER 43 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1e9j n LYS 44 N 0.43 0.00 0.00 -1.46 4.81 -1.26 -4.74 118.16 115.94 1e9j n LYS 44 Ca 0.03 0.24 0.00 0.00 -0.87 0.00 0.00 58.31 57.72 1e9j n LYS 44 Cb 0.18 -0.93 0.00 0.00 0.02 0.00 0.00 35.03 34.29 1e9j n LYS 44 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1e9j n LYS 45 N -0.68 1.45 -0.74 1.64 5.02 -1.26 -4.91 118.16 118.69 1e9j n LYS 45 Ca 0.00 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.01 1e9j n LYS 45 Cb 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.03 1e9j n LYS 45 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1e9j n THR 46 N -0.53 0.00 -0.12 -0.18 -2.24 -1.26 -4.41 114.28 105.54 1e9j n THR 46 Ca 0.00 -0.09 0.11 0.00 -2.27 0.00 0.00 64.05 61.80 1e9j n THR 46 Cb 0.00 0.00 0.21 0.00 -2.10 0.00 0.00 70.33 68.44 1e9j n THR 46 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1e9j n MET 47 N 1.84 -0.02 -4.57 -0.78 2.81 -1.26 -4.20 117.12 110.93 1e9j n MET 47 Ca -0.01 0.50 -0.26 0.00 -1.81 0.00 0.00 57.70 56.11 1e9j n MET 47 Cb 0.52 -0.89 -0.11 0.00 -0.71 0.00 0.00 33.22 32.03 1e9j n MET 47 CO 0.00 0.00 0.00 -0.48 1.51 0.00 0.00 175.97 177.00 1e9j s LEU 48 N -7.69 2.71 -0.07 4.03 -0.00 -1.26 -4.74 118.68 111.66 1e9j s LEU 48 Ca -0.03 -1.36 0.00 0.00 -0.00 0.00 0.00 54.13 52.74 1e9j s LEU 48 Cb 0.12 -0.78 0.02 0.00 -0.00 0.00 0.00 46.19 45.55 1e9j s LEU 48 CO 0.28 -0.47 -0.05 0.68 -0.00 0.00 0.00 176.35 176.79 1e9j s VAL 49 N -2.84 0.70 0.18 1.48 -7.23 -1.26 -4.54 120.40 106.89 1e9j s VAL 49 Ca 0.35 -0.16 0.00 0.00 -1.81 0.00 0.00 61.98 60.36 1e9j s VAL 49 Cb 0.09 -0.73 0.00 0.00 0.56 0.00 0.00 36.38 36.30 1e9j s VAL 49 CO 0.17 0.28 0.00 0.00 -0.31 0.00 0.00 175.10 175.25 1e9j n GLN 50 N 4.45 -1.61 -4.42 4.82 3.00 -1.26 -4.80 117.38 117.57 1e9j n GLN 50 Ca -0.18 1.06 -0.34 0.00 -0.01 0.00 0.00 57.00 57.53 1e9j n GLN 50 Cb 0.51 -1.96 -0.12 0.00 0.00 0.00 0.00 30.24 28.67 1e9j n GLN 50 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.06 177.27 1e9j s LYS 51 N -1.28 3.47 0.03 -1.09 2.20 -1.26 -5.11 119.74 116.70 1e9j s LYS 51 Ca 0.00 -0.50 0.03 0.00 -0.36 0.00 0.00 55.97 55.13 1e9j s LYS 51 Cb 0.00 -2.86 -0.02 0.00 -1.51 0.00 0.00 37.83 33.44 1e9j s LYS 51 CO 0.00 0.36 -0.09 0.54 -0.36 0.00 0.00 175.35 175.80 1e9j s ASN 52 N 0.04 0.98 0.28 1.43 4.22 -1.26 -5.16 114.94 115.47 1e9j s ASN 52 Ca 0.00 -0.45 0.07 0.00 -2.14 0.00 0.00 52.86 50.34 1e9j s ASN 52 Cb -0.13 -0.01 -0.03 0.00 1.28 0.00 0.00 41.25 42.35 1e9j s ASN 52 CO 0.03 -0.11 0.26 0.68 -2.04 0.00 0.00 177.10 175.92 1e9j s VAL 53 N -1.04 4.27 -0.36 3.54 -7.23 -1.26 -5.00 120.40 113.31 1e9j s VAL 53 Ca -0.05 -1.32 0.25 0.00 -1.81 0.00 0.00 61.98 59.05 1e9j s VAL 53 Cb -0.08 -3.40 0.27 0.00 0.56 0.00 0.00 36.38 33.73 1e9j s VAL 53 CO 0.01 -0.29 1.76 0.74 -0.31 0.00 0.00 175.10 177.01 1e9j h THR 54 N 1.34 0.00 -4.85 5.32 2.02 -2.04 -3.48 112.91 111.23 1e9j h THR 54 Ca -0.48 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 66.45 1e9j h THR 54 Cb 1.24 1.02 -0.07 0.00 -1.74 0.00 0.00 68.15 68.61 1e9j h THR 54 CO 0.60 0.00 -1.30 -1.20 0.37 0.00 0.00 175.52 173.98 1e9j n SER 55 N -2.38 -4.97 0.00 4.18 7.64 -1.26 -4.79 113.62 112.04 1e9j n SER 55 Ca 0.02 1.62 0.00 0.00 1.01 0.00 0.00 58.87 61.51 1e9j n SER 55 Cb 0.23 -5.26 0.00 0.00 -1.01 0.00 0.00 64.21 58.17 1e9j n SER 55 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1e9j n GLU 56 N 1.78 0.00 -0.66 1.43 0.28 -1.26 -4.47 120.64 117.73 1e9j n GLU 56 Ca -0.22 0.00 -0.20 0.00 -0.16 0.00 0.00 57.16 56.59 1e9j n GLU 56 Cb 0.33 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 33.19 1e9j n GLU 56 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 1e9j n SER 57 N -0.94 4.33 -4.76 -1.84 3.41 -1.26 -4.65 113.62 107.91 1e9j n SER 57 Ca 0.00 -2.29 -0.39 0.00 -0.26 0.00 0.00 58.87 55.93 1e9j n SER 57 Cb 0.00 -1.03 0.03 0.00 -0.26 0.00 0.00 64.21 62.95 1e9j n SER 57 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1e9j s THR 58 N 3.62 2.17 -0.19 6.66 -4.23 -1.26 -4.98 115.64 117.43 1e9j s THR 58 Ca 0.35 0.13 -0.02 0.00 -1.18 0.00 0.00 61.69 60.97 1e9j s THR 58 Cb 0.09 -3.07 -0.01 0.00 1.34 0.00 0.00 72.50 70.85 1e9j s THR 58 CO -0.03 0.01 -0.09 0.00 -0.54 0.00 0.00 174.62 173.97 1e9j n VAL 61 N -0.42 0.00 0.00 0.00 0.24 -1.24 -3.57 118.33 113.34 1e9j n VAL 61 Ca 0.45 -0.45 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1e9j n VAL 61 Cb 0.41 -0.69 0.00 0.00 -1.47 0.00 0.00 33.84 32.09 1e9j n VAL 61 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1e9j n ALA 62 N 10.04 0.00 -0.08 2.33 0.00 -1.25 -4.48 120.51 127.07 1e9j n ALA 62 Ca 0.48 0.00 0.13 0.00 0.00 0.00 0.00 53.44 54.05 1e9j n ALA 62 Cb 0.31 0.00 0.52 0.00 0.00 0.00 0.00 19.45 20.28 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 0.00 0.36 -3.64 0.00 3.64 0.70 -3.42 116.57 114.20 1e9j h LYS 63 Ca 0.00 -0.02 -0.16 0.00 -1.27 0.00 0.00 60.65 59.20 1e9j h LYS 63 Cb 0.00 -0.08 -0.21 0.00 -0.41 0.00 0.00 32.23 31.53 1e9j h LYS 63 CO 0.00 0.24 -0.56 -1.12 -2.27 0.00 0.00 179.45 175.74 1e9j s SER 64 N -6.23 0.08 0.13 4.20 0.01 -0.84 -4.90 113.70 106.14 1e9j s SER 64 Ca -0.07 -0.26 0.04 0.00 1.31 0.00 0.00 55.95 56.97 1e9j s SER 64 Cb 0.20 0.18 -0.04 0.00 0.21 0.00 0.00 66.02 66.56 1e9j s SER 64 CO 0.75 -0.33 -0.10 -0.72 0.41 0.00 0.00 173.24 173.25 1e9j s TYR 65 N -1.31 1.20 -0.11 2.43 1.13 -1.25 -0.39 117.35 119.05 1e9j s TYR 65 Ca -0.14 -0.73 0.17 0.00 -1.41 0.00 0.00 57.07 54.96 1e9j s TYR 65 Cb -0.08 -0.63 0.40 0.00 -1.10 0.00 0.00 41.96 40.55 1e9j s TYR 65 CO 0.01 0.05 1.18 -1.71 -2.51 0.00 0.00 175.55 172.57 1e9j n ASN 66 N 0.05 1.37 0.00 -0.18 5.15 0.22 -4.76 115.26 117.11 1e9j n ASN 66 Ca -0.12 -2.98 0.00 0.00 -0.60 0.00 0.00 54.58 50.88 1e9j n ASN 66 Cb 0.60 -0.41 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 -0.41 0.00 -2.67 1.20 0.63 -1.22 -3.88 116.66 110.32 1e9j n ARG 67 Ca 0.13 0.00 -0.09 0.00 -0.92 0.00 0.00 57.85 56.97 1e9j n ARG 67 Cb 0.88 0.00 0.03 0.00 0.45 0.00 0.00 32.46 33.82 1e9j n ARG 67 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 1e9j n VAL 68 N 0.00 1.08 -0.18 5.15 0.24 -1.26 -4.60 118.33 118.75 1e9j n VAL 68 Ca 0.00 -3.12 -0.07 0.00 -2.04 0.00 0.00 64.34 59.11 1e9j n VAL 68 Cb 0.00 0.65 -0.01 0.00 -1.47 0.00 0.00 33.84 33.01 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 -0.14 0.00 -3.03 3.34 -1.04 -1.25 -4.75 114.28 107.41 1e9j n THR 69 Ca 0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.11 1e9j n THR 69 Cb 0.81 -0.06 0.00 0.00 -1.82 0.00 0.00 70.33 69.27 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 0.49 0.00 -0.44 12.58 0.31 -1.11 -4.70 118.33 125.46 1e9j n VAL 70 Ca 0.04 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.23 1e9j n VAL 70 Cb -0.01 -0.37 -0.00 0.00 -0.91 0.00 0.00 33.84 32.55 1e9j n VAL 70 CO 0.00 0.00 0.00 1.15 -1.32 0.00 0.00 176.83 176.66 1e9j n MET 71 N -0.15 0.00 -1.49 5.55 0.00 -1.26 0.21 117.12 119.97 1e9j n MET 71 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 57.70 57.61 1e9j n MET 71 Cb 0.00 -0.34 -0.03 0.00 0.00 0.00 0.00 33.22 32.85 1e9j n MET 71 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1e9j n GLY 72 N 0.80 0.61 2.40 3.17 0.00 -1.26 0.30 105.19 111.21 1e9j n GLY 72 Ca 0.04 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.28 0.14 3.17 -0.02 0.00 0.22 -5.00 105.19 103.43 1e9j n GLY 73 Ca -0.09 -0.31 -0.26 0.00 0.00 0.00 0.00 46.02 45.35 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 -3.81 -2.11 -3.28 1.61 3.01 0.56 -4.61 117.46 108.83 1e9j n PHE 74 Ca -0.04 -0.07 -0.08 0.00 1.01 0.00 0.00 57.45 58.28 1e9j n PHE 74 Cb 0.55 -1.46 -0.04 0.00 -0.01 0.00 0.00 39.48 38.51 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 -3.72 0.71 -0.02 -1.08 3.01 -1.26 -2.73 119.74 114.65 1e9j s LYS 75 Ca 0.50 -0.49 0.12 0.00 -1.01 0.00 0.00 55.97 55.09 1e9j s LYS 75 Cb -0.10 -0.30 0.39 0.00 -1.01 0.00 0.00 37.83 36.81 1e9j s LYS 75 CO 0.52 -1.18 1.29 1.33 0.51 0.00 0.00 175.35 177.82 1e9j n VAL 76 N 4.42 0.72 -2.31 3.17 0.24 -1.26 -4.85 118.33 118.45 1e9j n VAL 76 Ca 0.10 -0.60 -0.10 0.00 -2.04 0.00 0.00 64.34 61.70 1e9j n VAL 76 Cb 0.51 0.18 -0.02 0.00 -1.47 0.00 0.00 33.84 33.04 1e9j n VAL 76 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1e9j n GLU 77 N 0.67 -0.93 0.00 7.34 -0.58 -1.26 -1.14 120.64 124.74 1e9j n GLU 77 Ca 0.14 0.03 0.00 0.00 -0.42 0.00 0.00 57.16 56.92 1e9j n GLU 77 Cb 0.42 -1.13 0.00 0.00 -0.57 0.00 0.00 31.44 30.17 1e9j n GLU 77 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1e9j n ASN 78 N -0.04 0.00 -4.68 1.62 5.15 -1.25 -0.51 115.26 115.54 1e9j n ASN 78 Ca 0.02 0.00 -0.66 0.00 -0.60 0.00 0.00 54.58 53.34 1e9j n ASN 78 Cb 0.12 0.00 -0.10 0.00 -0.53 0.00 0.00 39.78 39.27 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 1.73 0.27 1.20 8.25 -0.29 0.71 115.22 127.08 1e9j n HIS 79 Ca 0.00 1.02 0.09 0.00 -0.26 0.00 0.00 57.72 58.56 1e9j n HIS 79 Cb 0.00 -2.27 -0.12 0.00 1.12 0.00 0.00 29.99 28.72 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 4.41 0.00 -3.65 1.59 -2.24 0.48 -4.84 114.28 110.03 1e9j n THR 80 Ca 0.33 -0.30 -0.15 0.00 -2.27 0.00 0.00 64.05 61.67 1e9j n THR 80 Cb -0.03 0.40 -0.08 0.00 -2.10 0.00 0.00 70.33 68.52 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 -3.02 -1.41 -0.04 6.98 0.00 -0.92 -4.85 121.76 118.50 1e9j s ALA 81 Ca -0.02 1.30 -0.00 0.00 0.00 0.00 0.00 51.96 53.24 1e9j s ALA 81 Cb 0.12 -0.49 0.03 0.00 0.00 0.00 0.00 23.12 22.78 1e9j s ALA 81 CO 0.72 -0.30 0.00 0.00 0.00 0.00 0.00 175.76 176.19 1e9j s HIS 83 N 1.40 2.28 1.08 0.00 -3.43 -1.23 -4.69 115.29 110.71 1e9j s HIS 83 Ca -0.04 -1.75 -0.21 0.00 -0.80 0.00 0.00 55.06 52.27 1e9j s HIS 83 Cb -0.13 -1.63 0.04 0.00 -1.43 0.00 0.00 32.58 29.43 1e9j s HIS 83 CO -0.03 -0.78 -0.37 0.00 -2.00 0.00 0.00 174.74 171.56 1e9j n SER 85 N -0.36 -4.38 -3.04 0.00 2.88 1.03 -4.65 113.62 105.10 1e9j n SER 85 Ca 0.00 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.54 1e9j n SER 85 Cb 0.64 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.09 1e9j n SER 85 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1e9j n THR 86 N -1.05 -2.72 -4.57 2.46 -2.24 -1.26 -4.42 114.28 100.48 1e9j n THR 86 Ca 0.00 0.43 -0.27 0.00 -2.27 0.00 0.00 64.05 61.94 1e9j n THR 86 Cb 0.00 -3.13 -0.08 0.00 -2.10 0.00 0.00 70.33 65.02 1e9j n THR 86 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1e9j n TYR 88 N -0.99 0.00 0.00 0.00 0.18 -1.26 -4.48 117.16 110.61 1e9j n TYR 88 Ca -0.09 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.69 1e9j n TYR 88 Cb 0.65 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.61 1e9j n TYR 88 CO 0.00 0.00 0.00 0.98 -2.08 0.00 0.00 176.86 175.76 1e9j n TYR 89 N -0.76 0.00 -1.90 -3.48 4.19 -1.26 -5.17 117.16 108.78 1e9j n TYR 89 Ca 0.11 0.00 -0.32 0.00 3.31 0.00 0.00 57.90 61.00 1e9j n TYR 89 Cb 0.05 0.00 0.02 0.00 0.49 0.00 0.00 39.34 39.90 1e9j n TYR 89 CO 0.00 0.00 0.00 -3.38 0.91 0.00 0.00 176.86 174.39 1e9j s HIS 90 N 0.00 3.07 -0.03 2.98 -3.43 -1.26 -4.63 115.29 111.99 1e9j s HIS 90 Ca 0.00 1.47 -0.01 0.00 -0.80 0.00 0.00 55.06 55.72 1e9j s HIS 90 Cb 0.00 -2.95 0.00 0.00 -1.43 0.00 0.00 32.58 28.21 1e9j s HIS 90 CO 0.00 -1.10 0.04 1.17 -2.00 0.00 0.00 174.74 172.85 1e9j n LYS 91 N -2.39 -0.17 0.00 -0.38 3.00 -1.26 -5.13 118.16 111.83 1e9j n LYS 91 Ca 0.08 0.62 0.00 0.00 -0.00 0.00 0.00 58.31 59.01 1e9j n LYS 91 Cb 0.53 -1.81 0.00 0.00 0.00 0.00 0.00 35.03 33.75 1e9j n LYS 91 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83