#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1e9j s PRO 2 N 0.00 -0.10 0.00 0.00 0.04 -1.26 -5.07 135.00 128.61 1e9j s PRO 2 Ca 0.00 -0.17 0.00 0.00 0.04 0.00 0.00 61.00 60.87 1e9j s PRO 2 Cb 0.00 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.80 1e9j s PRO 2 CO 0.00 -2.95 0.00 -0.25 0.04 0.00 0.00 177.00 173.84 1e9j n ASP 3 N -4.20 -0.70 0.00 6.66 8.00 -1.26 -5.07 116.55 119.99 1e9j n ASP 3 Ca 0.13 -0.18 0.00 0.00 0.71 0.00 0.00 54.79 55.46 1e9j n ASP 3 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.69 1e9j n ASP 3 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 1e9j n VAL 4 N -1.71 0.00 -0.99 2.53 3.14 -1.26 -5.03 118.33 115.00 1e9j n VAL 4 Ca 0.00 0.00 -0.16 0.00 -2.96 0.00 0.00 64.34 61.22 1e9j n VAL 4 Cb 0.00 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 32.76 1e9j n VAL 4 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1e9j n GLN 5 N 0.00 1.84 -3.22 1.45 1.13 -1.26 -4.85 117.38 112.47 1e9j n GLN 5 Ca 0.00 -1.42 -0.44 0.00 -1.94 0.00 0.00 57.00 53.20 1e9j n GLN 5 Cb 0.00 -1.69 -0.06 0.00 0.11 0.00 0.00 30.24 28.59 1e9j n GLN 5 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1e9j s ASP 6 N 0.77 6.20 -0.78 1.08 1.01 -1.26 -4.64 116.67 119.06 1e9j s ASP 6 Ca 0.37 -1.09 -0.03 0.00 0.71 0.00 0.00 52.55 52.51 1e9j s ASP 6 Cb 0.25 -2.26 0.01 0.00 1.01 0.00 0.00 42.92 41.92 1e9j s ASP 6 CO -0.06 -0.85 0.62 0.00 0.21 0.00 0.00 175.17 175.10 1e9j n PRO 8 N -2.27 -0.10 -1.44 0.00 -0.04 -1.26 -4.44 135.00 125.46 1e9j n PRO 8 Ca -0.25 0.00 -0.48 0.00 -0.04 0.00 0.00 63.50 62.73 1e9j n PRO 8 Cb 0.66 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 34.03 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 -1.04 0.70 -1.02 0.54 2.13 -1.26 -2.18 120.64 118.52 1e9j n GLU 9 Ca 0.00 0.15 -0.36 0.00 0.66 0.00 0.00 57.16 57.61 1e9j n GLU 9 Cb 0.00 -2.27 -0.03 0.00 0.27 0.00 0.00 31.44 29.41 1e9j n GLU 9 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1e9j n THR 11 N 0.23 0.00 -2.81 0.00 5.66 -1.15 -4.83 114.28 111.38 1e9j n THR 11 Ca 0.13 0.00 -0.41 0.00 -3.05 0.00 0.00 64.05 60.73 1e9j n THR 11 Cb 0.15 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 68.88 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 -0.68 1.09 1.02 -1.26 0.35 118.68 123.71 1e9j s LEU 12 Ca 0.00 1.71 0.04 0.00 0.02 0.00 0.00 54.13 55.90 1e9j s LEU 12 Cb 0.00 -3.48 0.34 0.00 0.02 0.00 0.00 46.19 43.07 1e9j s LEU 12 CO 0.00 -0.01 1.16 0.00 0.02 0.00 0.00 176.35 177.52 1e9j n GLN 13 N 2.62 3.74 0.00 1.70 6.02 -0.87 -4.76 117.38 125.82 1e9j n GLN 13 Ca 0.00 -4.80 0.00 0.00 -0.01 0.00 0.00 57.00 52.20 1e9j n GLN 13 Cb 0.49 -2.29 0.00 0.00 1.02 0.00 0.00 30.24 29.46 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 -0.22 0.00 -1.52 -1.09 2.13 -1.25 -4.37 120.64 114.31 1e9j n GLU 14 Ca 0.35 0.00 -0.40 0.00 0.66 0.00 0.00 57.16 57.77 1e9j n GLU 14 Cb 0.37 0.00 -0.07 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 0.01 1.86 -0.18 4.31 2.85 0.74 -4.74 115.26 120.11 1e9j n ASN 15 Ca 0.00 -0.15 0.00 0.00 -0.11 0.00 0.00 54.58 54.32 1e9j n ASN 15 Cb 0.00 -1.37 0.00 0.00 1.24 0.00 0.00 39.78 39.65 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 8.74 0.71 -0.05 1.20 -0.04 -1.26 -0.41 135.00 143.89 1e9j n PRO 16 Ca 0.44 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.81 1e9j n PRO 16 Cb 0.37 -1.13 -0.03 0.00 -0.04 0.00 0.00 33.50 32.66 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 -0.26 0.00 1.30 0.54 -0.00 -1.26 -4.68 117.46 113.10 1e9j n PHE 17 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 57.45 57.58 1e9j n PHE 17 Cb 0.07 -0.38 0.37 0.00 -0.00 0.00 0.00 39.48 39.53 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 -3.90 0.01 -1.88 -5.13 3.72 -1.15 -4.89 117.46 104.24 1e9j n PHE 18 Ca -0.16 -0.01 -0.41 0.00 -0.05 0.00 0.00 57.45 56.82 1e9j n PHE 18 Cb 0.45 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.96 1e9j n PHE 18 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1e9j s SER 19 N -1.98 5.51 0.34 4.37 1.04 0.45 -4.25 113.70 119.17 1e9j s SER 19 Ca 0.34 1.21 0.09 0.00 0.48 0.00 0.00 55.95 58.07 1e9j s SER 19 Cb 0.21 -2.52 -0.05 0.00 0.10 0.00 0.00 66.02 63.75 1e9j s SER 19 CO 0.32 -2.03 0.00 -1.10 0.98 0.00 0.00 173.24 171.41 1e9j s GLN 20 N 6.38 2.06 -0.18 4.02 -1.52 0.39 -4.89 119.66 125.91 1e9j s GLN 20 Ca 0.84 -1.76 -0.02 0.00 -1.95 0.00 0.00 55.36 52.47 1e9j s GLN 20 Cb -0.22 -1.91 -0.02 0.00 -0.22 0.00 0.00 33.01 30.64 1e9j s GLN 20 CO 0.31 0.14 1.23 -2.30 -0.25 0.00 0.00 175.29 174.42 1e9j n PRO 21 N -0.94 0.42 0.00 2.91 -0.02 -1.26 -0.78 135.00 135.33 1e9j n PRO 21 Ca -0.04 -0.70 0.00 0.00 -2.02 0.00 0.00 63.50 60.74 1e9j n PRO 21 Cb 0.62 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 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 3.97 0.13 2.70 -1.23 0.00 -1.26 -5.09 105.19 104.41 1e9j n GLY 22 Ca 0.10 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.14 -0.99 4.61 0.00 0.04 -5.07 121.76 120.21 1e9j s ALA 23 Ca 0.00 -0.49 -0.03 0.00 0.00 0.00 0.00 51.96 51.44 1e9j s ALA 23 Cb 0.00 -1.65 0.28 0.00 0.00 0.00 0.00 23.12 21.75 1e9j s ALA 23 CO 0.00 -1.66 1.15 -0.35 0.00 0.00 0.00 175.76 174.90 1e9j n PRO 24 N 5.29 3.60 -0.58 0.00 -0.04 -1.26 0.15 135.00 142.16 1e9j n PRO 24 Ca -0.03 -4.53 0.00 0.00 -0.04 0.00 0.00 63.50 58.89 1e9j n PRO 24 Cb 0.45 -2.47 0.00 0.00 -0.04 0.00 0.00 33.50 31.45 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 1.79 0.00 -3.09 0.52 2.08 -1.26 -4.20 119.36 115.21 1e9j n ILE 25 Ca 0.25 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.56 1e9j n ILE 25 Cb 0.36 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.25 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 0.26 117.00 122.16 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 -1.38 3.23 7.27 -1.26 -4.15 117.38 121.09 1e9j n GLN 27 Ca 0.00 0.00 -0.52 0.00 0.07 0.00 0.00 57.00 56.55 1e9j n GLN 27 Cb 0.00 0.00 -0.10 0.00 2.41 0.00 0.00 30.24 32.55 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 6.75 1.26 0.00 0.00 1.75 1.08 -4.84 119.30 125.30 1e9j s MET 29 Ca 1.18 -0.45 0.00 0.00 -1.25 0.00 0.00 55.69 55.17 1e9j s MET 29 Cb -1.13 -1.15 0.00 0.00 2.84 0.00 0.00 34.83 35.39 1e9j s MET 29 CO 0.54 0.20 0.00 0.41 -0.65 0.00 0.00 175.02 175.52 1e9j n GLY 30 N 3.11 0.49 3.31 2.11 0.00 -1.26 -2.94 105.19 110.01 1e9j n GLY 30 Ca -0.17 -1.32 -0.14 0.00 0.00 0.00 0.00 46.02 44.39 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 2.55 0.00 -0.93 0.00 3.72 -1.26 -4.85 117.46 116.69 1e9j n PHE 33 Ca 0.24 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.64 1e9j n PHE 33 Cb 0.56 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.10 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 1.45 -5.23 -1.07 4.37 7.64 -1.26 -5.04 113.62 114.48 1e9j n SER 34 Ca 0.00 0.92 0.00 0.00 1.01 0.00 0.00 58.87 60.80 1e9j n SER 34 Cb 0.00 -2.51 0.00 0.00 -1.01 0.00 0.00 64.21 60.69 1e9j n SER 34 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1e9j n ARG 35 N -1.55 2.53 -0.47 1.43 3.00 -1.26 -5.02 116.66 115.32 1e9j n ARG 35 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 1e9j n ARG 35 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.60 1e9j n ARG 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1e9j n ALA 36 N -3.00 -1.42 -2.76 7.54 0.00 -1.26 -4.63 120.51 114.98 1e9j n ALA 36 Ca 0.00 0.14 -0.08 0.00 0.00 0.00 0.00 53.44 53.49 1e9j n ALA 36 Cb 0.00 -0.77 0.05 0.00 0.00 0.00 0.00 19.45 18.72 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 -1.22 -3.28 0.61 0.00 4.02 -1.26 -4.98 117.16 111.05 1e9j n TYR 37 Ca 0.00 -1.80 0.04 0.00 -0.01 0.00 0.00 57.90 56.13 1e9j n TYR 37 Cb 0.04 1.51 0.23 0.00 -0.02 0.00 0.00 39.34 41.10 1e9j n TYR 37 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 1e9j n PRO 38 N 1.67 0.31 -4.38 -0.72 -0.02 -1.26 -4.64 135.00 125.96 1e9j n PRO 38 Ca 0.10 0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 61.24 1e9j n PRO 38 Cb 0.63 -1.40 -0.10 0.00 -0.02 0.00 0.00 33.50 32.61 1e9j n PRO 38 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1e9j s THR 39 N -2.00 4.08 -0.82 3.45 -4.23 -1.26 -5.01 115.64 109.84 1e9j s THR 39 Ca 0.12 -0.50 -0.34 0.00 -1.18 0.00 0.00 61.69 59.79 1e9j s THR 39 Cb 0.05 -2.76 -0.20 0.00 1.34 0.00 0.00 72.50 70.93 1e9j s THR 39 CO 0.09 0.48 2.53 -0.81 -0.54 0.00 0.00 174.62 176.37 1e9j n PRO 40 N 1.76 0.10 -0.86 3.99 -0.04 -1.26 -4.90 135.00 133.79 1e9j n PRO 40 Ca -0.16 0.01 -0.13 0.00 -0.04 0.00 0.00 63.50 63.18 1e9j n PRO 40 Cb 0.53 -1.65 0.09 0.00 -0.04 0.00 0.00 33.50 32.43 1e9j n PRO 40 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 1e9j n LEU 41 N 10.06 0.00 0.10 1.53 -0.00 -1.26 -5.02 117.00 122.41 1e9j n LEU 41 Ca 0.61 -0.65 0.00 0.00 -0.00 0.00 0.00 56.01 55.97 1e9j n LEU 41 Cb 0.05 -0.44 0.00 0.00 -0.00 0.00 0.00 43.42 43.03 1e9j n LEU 41 CO 0.91 -0.91 0.00 -1.14 -0.00 0.00 0.00 177.39 176.25 1e9j n ARG 42 N -2.22 0.00 -0.90 1.47 0.63 -1.26 -5.14 116.66 109.24 1e9j n ARG 42 Ca 0.07 0.00 -0.29 0.00 -0.92 0.00 0.00 57.85 56.71 1e9j n ARG 42 Cb 0.25 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 33.16 1e9j n ARG 42 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1e9j n SER 43 N -3.17 -1.71 -2.36 6.15 7.64 -1.26 -4.65 113.62 114.26 1e9j n SER 43 Ca 0.00 0.60 -0.15 0.00 1.01 0.00 0.00 58.87 60.32 1e9j n SER 43 Cb 0.00 -0.61 -0.11 0.00 -1.01 0.00 0.00 64.21 62.48 1e9j n SER 43 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1e9j n LYS 44 N 0.86 2.01 0.00 1.43 5.02 -1.26 -4.94 118.16 121.28 1e9j n LYS 44 Ca 0.09 -1.09 0.00 0.00 -2.02 0.00 0.00 58.31 55.28 1e9j n LYS 44 Cb 0.25 -2.10 0.00 0.00 -0.02 0.00 0.00 35.03 33.16 1e9j n LYS 44 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1e9j n LYS 45 N 2.88 0.00 -1.08 1.97 4.76 -1.26 -4.77 118.16 120.65 1e9j n LYS 45 Ca 0.43 0.00 -0.01 0.00 -2.87 0.00 0.00 58.31 55.86 1e9j n LYS 45 Cb 0.63 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.82 1e9j n LYS 45 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 1e9j n THR 46 N 0.00 0.00 -3.41 -0.18 -1.04 -1.26 -5.16 114.28 103.23 1e9j n THR 46 Ca 0.00 -0.10 -0.02 0.00 -2.04 0.00 0.00 64.05 61.89 1e9j n THR 46 Cb 0.00 0.33 -0.00 0.00 -1.82 0.00 0.00 70.33 68.84 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 -0.16 0.12 -4.39 -2.82 0.00 -1.26 -5.18 117.12 103.43 1e9j n MET 47 Ca -0.07 -0.35 -0.21 0.00 0.00 0.00 0.00 57.70 57.07 1e9j n MET 47 Cb 0.46 0.38 -0.10 0.00 0.00 0.00 0.00 33.22 33.96 1e9j n MET 47 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 175.97 175.49 1e9j s LEU 48 N 0.00 2.55 0.00 -0.89 2.34 -1.26 -5.08 118.68 116.34 1e9j s LEU 48 Ca 0.03 -1.00 0.00 0.00 0.06 0.00 0.00 54.13 53.22 1e9j s LEU 48 Cb -0.00 -0.84 0.00 0.00 -0.56 0.00 0.00 46.19 44.79 1e9j s LEU 48 CO 0.02 -0.08 0.00 1.33 -1.06 0.00 0.00 176.35 176.56 1e9j n VAL 49 N -0.38 0.00 -2.78 1.48 0.24 -1.26 -4.90 118.33 110.74 1e9j n VAL 49 Ca -0.08 0.00 -0.02 0.00 -2.04 0.00 0.00 64.34 62.21 1e9j n VAL 49 Cb 0.60 -0.04 0.02 0.00 -1.47 0.00 0.00 33.84 32.95 1e9j n VAL 49 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1e9j s GLN 50 N -0.55 0.46 -0.38 7.34 -0.44 -1.26 -5.05 119.66 119.77 1e9j s GLN 50 Ca 0.00 -0.36 0.11 0.00 -2.50 0.00 0.00 55.36 52.61 1e9j s GLN 50 Cb 0.00 0.00 0.40 0.00 -1.64 0.00 0.00 33.01 31.77 1e9j s GLN 50 CO 0.00 -0.59 1.18 0.36 0.50 0.00 0.00 175.29 176.74 1e9j n LYS 51 N 3.15 1.15 -3.67 1.67 0.00 -1.26 -5.10 118.16 114.10 1e9j n LYS 51 Ca 0.11 -2.33 -0.08 0.00 -0.00 0.00 0.00 58.31 56.01 1e9j n LYS 51 Cb 0.62 -0.58 -0.09 0.00 -0.00 0.00 0.00 35.03 34.97 1e9j n LYS 51 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.40 178.61 1e9j s ASN 52 N -1.83 -0.65 0.28 -5.58 3.84 -1.26 -5.13 114.94 104.61 1e9j s ASN 52 Ca 0.24 1.15 0.00 0.00 0.21 0.00 0.00 52.86 54.46 1e9j s ASN 52 Cb 0.40 1.18 0.00 0.00 -0.55 0.00 0.00 41.25 42.29 1e9j s ASN 52 CO -0.05 -0.22 0.00 0.52 -2.79 0.00 0.00 177.10 174.57 1e9j n VAL 53 N 4.58 -0.07 -3.27 -5.21 0.31 -1.26 -4.92 118.33 108.49 1e9j n VAL 53 Ca -0.19 0.30 -0.06 0.00 -0.01 0.00 0.00 64.34 64.38 1e9j n VAL 53 Cb 0.55 -0.57 -0.04 0.00 -0.91 0.00 0.00 33.84 32.86 1e9j n VAL 53 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1e9j s THR 54 N -3.35 -0.72 -0.44 2.52 2.01 -1.26 -5.02 115.64 109.39 1e9j s THR 54 Ca 0.00 -0.37 -0.36 0.00 0.31 0.00 0.00 61.69 61.27 1e9j s THR 54 Cb 0.00 -0.53 0.05 0.00 0.01 0.00 0.00 72.50 72.03 1e9j s THR 54 CO 0.00 -0.24 0.64 -0.24 -0.69 0.00 0.00 174.62 174.09 1e9j n SER 55 N 4.68 -5.74 0.00 3.53 2.88 -1.26 -4.96 113.62 112.75 1e9j n SER 55 Ca 0.08 -0.08 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1e9j n SER 55 Cb 0.51 -1.96 0.00 0.00 -0.75 0.00 0.00 64.21 62.01 1e9j n SER 55 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1e9j n GLU 56 N -0.15 -1.15 -0.07 -1.46 0.28 -1.26 -4.95 120.64 111.88 1e9j n GLU 56 Ca -0.07 0.00 0.01 0.00 -0.16 0.00 0.00 57.16 56.94 1e9j n GLU 56 Cb 0.66 0.00 -0.00 0.00 1.43 0.00 0.00 31.44 33.53 1e9j n GLU 56 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 1e9j n SER 57 N 0.00 -2.09 -1.61 -1.84 7.64 -1.26 -4.97 113.62 109.49 1e9j n SER 57 Ca 0.00 0.08 0.00 0.00 1.01 0.00 0.00 58.87 59.96 1e9j n SER 57 Cb 0.00 -0.23 0.00 0.00 -1.01 0.00 0.00 64.21 62.97 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 -0.87 -3.51 -3.49 0.44 -2.24 -1.26 -4.82 114.28 98.53 1e9j n THR 58 Ca 0.00 1.69 0.00 0.00 -2.27 0.00 0.00 64.05 63.48 1e9j n THR 58 Cb 0.03 -2.62 -0.04 0.00 -2.10 0.00 0.00 70.33 65.60 1e9j n THR 58 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1e9j s VAL 61 N 1.89 -0.40 0.00 0.00 0.11 -1.19 -4.92 120.40 115.89 1e9j s VAL 61 Ca 0.76 -1.45 0.00 0.00 -2.93 0.00 0.00 61.98 58.36 1e9j s VAL 61 Cb -0.46 -0.57 0.00 0.00 -1.53 0.00 0.00 36.38 33.81 1e9j s VAL 61 CO 0.33 -0.55 0.00 0.00 -3.33 0.00 0.00 175.10 171.55 1e9j n ALA 62 N 3.36 0.00 -0.33 1.54 0.00 -1.25 -3.89 120.51 119.94 1e9j n ALA 62 Ca 0.20 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.66 1e9j n ALA 62 Cb 0.51 0.00 0.20 0.00 0.00 0.00 0.00 19.45 20.15 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 1.10 -3.46 0.00 3.64 0.74 -3.41 116.57 115.18 1e9j h LYS 63 Ca 0.00 -0.07 -0.27 0.00 -1.27 0.00 0.00 60.65 59.04 1e9j h LYS 63 Cb 0.00 -0.25 -0.32 0.00 -0.41 0.00 0.00 32.23 31.25 1e9j h LYS 63 CO 0.00 0.73 -0.68 -1.12 -2.27 0.00 0.00 179.45 176.11 1e9j s SER 64 N -6.02 -0.00 0.28 4.20 0.01 -0.78 -4.90 113.70 106.49 1e9j s SER 64 Ca -0.12 0.12 0.10 0.00 1.31 0.00 0.00 55.95 57.36 1e9j s SER 64 Cb 0.19 0.03 -0.04 0.00 0.21 0.00 0.00 66.02 66.41 1e9j s SER 64 CO 0.81 -0.11 -0.01 -0.72 0.41 0.00 0.00 173.24 173.61 1e9j s TYR 65 N 0.91 2.64 -0.10 2.43 -0.85 -1.25 0.21 117.35 121.34 1e9j s TYR 65 Ca -0.07 -0.27 0.16 0.00 -0.52 0.00 0.00 57.07 56.36 1e9j s TYR 65 Cb -0.10 -1.24 0.34 0.00 0.38 0.00 0.00 41.96 41.33 1e9j s TYR 65 CO -0.03 0.59 1.16 -1.71 -1.52 0.00 0.00 175.55 174.04 1e9j n ASN 66 N -0.90 1.32 0.00 -0.18 4.05 0.20 -4.73 115.26 115.02 1e9j n ASN 66 Ca -0.06 -2.85 0.00 0.00 0.45 0.00 0.00 54.58 52.12 1e9j n ASN 66 Cb 0.60 -0.39 0.00 0.00 1.23 0.00 0.00 39.78 41.22 1e9j n ASN 66 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 177.26 173.07 1e9j n ARG 67 N -0.47 0.00 -2.13 1.20 0.63 -1.22 -3.92 116.66 110.76 1e9j n ARG 67 Ca 0.11 0.00 -0.24 0.00 -0.92 0.00 0.00 57.85 56.81 1e9j n ARG 67 Cb 0.83 0.00 0.02 0.00 0.45 0.00 0.00 32.46 33.76 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 2.45 0.00 5.15 0.24 -1.26 -4.66 118.33 120.25 1e9j n VAL 68 Ca 0.00 -4.29 0.00 0.00 -2.04 0.00 0.00 64.34 58.01 1e9j n VAL 68 Cb 0.00 -1.07 0.00 0.00 -1.47 0.00 0.00 33.84 31.30 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 -0.66 0.00 -3.77 3.34 -1.04 -1.25 -4.85 114.28 106.05 1e9j n THR 69 Ca 0.42 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.43 1e9j n THR 69 Cb 0.91 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.42 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 -1.12 12.58 0.31 -1.12 -4.80 118.33 124.18 1e9j n VAL 70 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 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 -0.03 5.55 2.81 -1.26 0.21 117.12 124.40 1e9j n MET 71 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1e9j n MET 71 Cb 0.00 0.00 0.02 0.00 -0.71 0.00 0.00 33.22 32.53 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 0.49 0.00 3.03 0.00 -1.26 -4.59 105.19 102.86 1e9j n GLY 72 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 0.27 1.33 3.18 -0.02 0.00 0.18 -5.14 105.19 104.98 1e9j n GLY 73 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.46 -3.15 1.61 3.01 0.57 -4.68 117.46 111.37 1e9j n PHE 74 Ca 0.00 -0.64 0.04 0.00 1.01 0.00 0.00 57.45 57.86 1e9j n PHE 74 Cb 0.00 -1.36 -0.01 0.00 -0.01 0.00 0.00 39.48 38.10 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 -4.75 0.46 -0.09 -1.08 1.02 -1.26 -2.78 119.74 111.26 1e9j s LYS 75 Ca 0.61 0.72 0.16 0.00 0.02 0.00 0.00 55.97 57.48 1e9j s LYS 75 Cb -0.11 0.39 0.60 0.00 -0.52 0.00 0.00 37.83 38.19 1e9j s LYS 75 CO 0.52 -0.58 1.49 1.33 -0.92 0.00 0.00 175.35 177.18 1e9j n VAL 76 N 5.42 1.46 -2.77 3.17 0.24 -1.26 -4.86 118.33 119.73 1e9j n VAL 76 Ca -0.01 -0.97 -0.18 0.00 -2.04 0.00 0.00 64.34 61.15 1e9j n VAL 76 Cb 0.53 0.09 -0.03 0.00 -1.47 0.00 0.00 33.84 32.95 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 0.95 -1.07 0.00 7.34 4.07 -1.26 -1.58 120.64 129.08 1e9j n GLU 77 Ca 0.22 0.06 0.00 0.00 -0.06 0.00 0.00 57.16 57.37 1e9j n GLU 77 Cb 0.74 -2.39 0.00 0.00 -0.06 0.00 0.00 31.44 29.73 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 -0.85 0.00 -4.37 4.31 5.15 -1.25 -0.51 115.26 117.73 1e9j n ASN 78 Ca 0.05 0.00 -0.63 0.00 -0.60 0.00 0.00 54.58 53.40 1e9j n ASN 78 Cb 0.23 0.00 -0.09 0.00 -0.53 0.00 0.00 39.78 39.39 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 1.61 0.31 1.20 8.25 -0.62 0.59 115.22 126.57 1e9j n HIS 79 Ca 0.00 1.05 0.05 0.00 -0.26 0.00 0.00 57.72 58.57 1e9j n HIS 79 Cb 0.00 -2.06 -0.07 0.00 1.12 0.00 0.00 29.99 28.98 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 3.73 0.00 -3.60 1.59 -2.24 0.55 -4.81 114.28 109.51 1e9j n THR 80 Ca 0.29 -0.25 -0.15 0.00 -2.27 0.00 0.00 64.05 61.67 1e9j n THR 80 Cb -0.06 0.71 -0.07 0.00 -2.10 0.00 0.00 70.33 68.82 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 -2.30 -1.70 -0.03 6.98 0.00 0.52 -4.81 121.76 120.42 1e9j s ALA 81 Ca 0.01 1.64 0.01 0.00 0.00 0.00 0.00 51.96 53.62 1e9j s ALA 81 Cb 0.08 -0.65 0.02 0.00 0.00 0.00 0.00 23.12 22.57 1e9j s ALA 81 CO 0.45 -0.34 -0.02 0.00 0.00 0.00 0.00 175.76 175.85 1e9j s HIS 83 N 0.73 0.00 0.14 0.00 -3.43 -1.25 -4.63 115.29 106.84 1e9j s HIS 83 Ca -0.08 0.28 -0.31 0.00 -0.80 0.00 0.00 55.06 54.14 1e9j s HIS 83 Cb -0.11 -0.45 -0.10 0.00 -1.43 0.00 0.00 32.58 30.49 1e9j s HIS 83 CO -0.01 -0.27 1.69 0.00 -2.00 0.00 0.00 174.74 174.15 1e9j s SER 85 N 1.91 1.03 0.20 0.00 0.15 0.17 -4.50 113.70 112.66 1e9j s SER 85 Ca 0.75 -0.43 -0.25 0.00 0.70 0.00 0.00 55.95 56.72 1e9j s SER 85 Cb -0.44 -0.03 -0.16 0.00 -1.71 0.00 0.00 66.02 63.69 1e9j s SER 85 CO 0.33 -0.08 0.45 1.07 1.20 0.00 0.00 173.24 176.21 1e9j n THR 86 N 1.90 1.75 -4.05 6.45 5.66 -1.26 -0.90 114.28 123.81 1e9j n THR 86 Ca -0.19 -0.46 -0.35 0.00 -3.05 0.00 0.00 64.05 60.00 1e9j n THR 86 Cb 0.55 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 69.24 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 3.00 -2.09 -3.65 0.00 9.36 -1.26 -4.99 117.16 117.53 1e9j n TYR 88 Ca -0.18 0.11 0.00 0.00 3.32 0.00 0.00 57.90 61.15 1e9j n TYR 88 Cb 0.53 0.08 -0.06 0.00 -0.63 0.00 0.00 39.34 39.25 1e9j n TYR 88 CO 0.00 0.00 0.00 1.52 0.22 0.00 0.00 176.86 178.60 1e9j s TYR 89 N -0.13 -0.18 -0.51 2.98 -0.85 -1.26 -5.12 117.35 112.28 1e9j s TYR 89 Ca 0.00 0.38 0.07 0.00 -0.52 0.00 0.00 57.07 56.99 1e9j s TYR 89 Cb 0.00 0.19 0.20 0.00 0.38 0.00 0.00 41.96 42.72 1e9j s TYR 89 CO 0.00 -0.09 0.73 0.72 -1.52 0.00 0.00 175.55 175.39 1e9j n HIS 90 N 2.91 -3.60 -0.06 -3.49 8.25 -1.26 -4.99 115.22 112.99 1e9j n HIS 90 Ca -0.16 -1.54 -0.10 0.00 -0.26 0.00 0.00 57.72 55.66 1e9j n HIS 90 Cb 0.57 1.42 -0.15 0.00 1.12 0.00 0.00 29.99 32.95 1e9j n HIS 90 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1e9j n LYS 91 N 2.74 0.66 0.00 -0.41 5.02 -1.26 -5.33 118.16 119.59 1e9j n LYS 91 Ca 0.17 0.14 0.00 0.00 -2.02 0.00 0.00 58.31 56.60 1e9j n LYS 91 Cb 0.57 -1.65 0.00 0.00 -0.02 0.00 0.00 35.03 33.93 1e9j n LYS 91 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31