#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 0.00 0.00 0.00 -0.04 -1.26 -4.94 135.00 128.76 1e9j n PRO 2 Ca 0.00 0.25 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 1e9j n PRO 2 Cb 0.00 -1.16 0.00 0.00 -0.04 0.00 0.00 33.50 32.30 1e9j n PRO 2 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1e9j n ASP 3 N -1.25 0.00 -4.04 3.54 8.00 -1.26 -4.87 116.55 116.68 1e9j n ASP 3 Ca 0.00 0.00 -0.24 0.00 0.71 0.00 0.00 54.79 55.26 1e9j n ASP 3 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.02 1e9j n ASP 3 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1e9j s VAL 4 N 0.00 0.53 0.03 2.53 1.01 -1.26 -5.17 120.40 118.07 1e9j s VAL 4 Ca 0.00 -2.00 0.03 0.00 0.00 0.00 0.00 61.98 60.01 1e9j s VAL 4 Cb 0.00 -2.41 -0.02 0.00 0.00 0.00 0.00 36.38 33.95 1e9j s VAL 4 CO 0.00 0.00 -0.09 -1.58 0.00 0.00 0.00 175.10 173.43 1e9j s GLN 5 N -3.71 0.60 0.11 2.72 0.74 -1.26 -5.15 119.66 113.71 1e9j s GLN 5 Ca 0.28 -0.64 -0.08 0.00 0.05 0.00 0.00 55.36 54.97 1e9j s GLN 5 Cb 0.03 -0.47 -0.06 0.00 1.10 0.00 0.00 33.01 33.61 1e9j s GLN 5 CO 0.16 0.11 0.40 -0.51 -0.55 0.00 0.00 175.29 174.90 1e9j s ASP 6 N -1.19 6.58 0.00 6.67 1.01 -1.26 -4.95 116.67 123.53 1e9j s ASP 6 Ca -0.05 0.72 0.00 0.00 0.71 0.00 0.00 52.55 53.94 1e9j s ASP 6 Cb -0.08 -2.15 0.00 0.00 1.01 0.00 0.00 42.92 41.70 1e9j s ASP 6 CO 0.01 0.11 0.00 0.00 0.21 0.00 0.00 175.17 175.49 1e9j n PRO 8 N -0.22 -0.39 -3.82 0.00 -0.04 -1.26 -4.73 135.00 124.54 1e9j n PRO 8 Ca 0.00 -0.23 -0.22 0.00 -0.04 0.00 0.00 63.50 63.01 1e9j n PRO 8 Cb 0.00 -0.46 -0.05 0.00 -0.04 0.00 0.00 33.50 32.95 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 -2.10 2.46 -0.13 0.54 -6.30 -1.26 -4.23 118.70 107.67 1e9j s GLU 9 Ca 0.10 -1.58 -0.17 0.00 -2.50 0.00 0.00 54.97 50.82 1e9j s GLU 9 Cb -0.02 -2.26 -0.04 0.00 0.00 0.00 0.00 34.13 31.81 1e9j s GLU 9 CO 0.09 -0.08 0.44 0.00 0.02 0.00 0.00 175.26 175.73 1e9j n THR 11 N 3.71 0.00 -3.44 0.00 5.66 -1.26 -4.91 114.28 114.03 1e9j n THR 11 Ca -0.08 -0.05 -0.38 0.00 -3.05 0.00 0.00 64.05 60.49 1e9j n THR 11 Cb 0.52 0.08 -0.06 0.00 -1.55 0.00 0.00 70.33 69.32 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 4.41 -0.78 1.09 1.02 -1.26 0.22 118.68 123.38 1e9j s LEU 12 Ca 0.03 0.91 0.02 0.00 0.02 0.00 0.00 54.13 55.11 1e9j s LEU 12 Cb -0.00 -2.62 0.34 0.00 0.02 0.00 0.00 46.19 43.93 1e9j s LEU 12 CO 0.00 0.22 1.48 0.00 0.02 0.00 0.00 176.35 178.08 1e9j n GLN 13 N 2.44 4.05 0.00 1.70 6.02 -1.23 -4.77 117.38 125.59 1e9j n GLN 13 Ca -0.12 -4.53 0.00 0.00 -0.01 0.00 0.00 57.00 52.34 1e9j n GLN 13 Cb 0.52 -2.34 0.00 0.00 1.02 0.00 0.00 30.24 29.44 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 -0.25 0.00 -1.50 -1.09 2.13 -1.25 -4.26 120.64 114.42 1e9j n GLU 14 Ca 0.42 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.82 1e9j n GLU 14 Cb 0.35 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 31.96 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 1.22 -0.33 4.31 2.85 0.83 -4.73 115.26 119.42 1e9j n ASN 15 Ca 0.00 -0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1e9j n ASN 15 Cb 0.00 -1.19 0.00 0.00 1.24 0.00 0.00 39.78 39.83 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 8.59 0.68 0.03 1.20 -0.04 -1.26 -1.00 135.00 143.19 1e9j n PRO 16 Ca 0.53 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.98 1e9j n PRO 16 Cb 0.23 -1.23 -0.00 0.00 -0.04 0.00 0.00 33.50 32.46 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 -0.06 0.00 1.56 0.54 -0.00 -1.26 -4.70 117.46 113.54 1e9j n PHE 17 Ca 0.00 0.00 0.15 0.00 -0.00 0.00 0.00 57.45 57.60 1e9j n PHE 17 Cb 0.11 -0.04 0.80 0.00 -0.00 0.00 0.00 39.48 40.35 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 -3.52 0.00 -1.61 -5.13 3.72 -1.18 -4.77 117.46 104.97 1e9j n PHE 18 Ca -0.01 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.00 1e9j n PHE 18 Cb 0.09 -0.20 -0.03 0.00 -0.94 0.00 0.00 39.48 38.41 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 -2.39 4.79 0.41 4.37 1.04 -0.17 -4.36 113.70 117.38 1e9j s SER 19 Ca 0.34 1.27 0.07 0.00 0.48 0.00 0.00 55.95 58.11 1e9j s SER 19 Cb 0.20 -2.51 -0.08 0.00 0.10 0.00 0.00 66.02 63.74 1e9j s SER 19 CO 0.42 -2.58 0.01 -1.10 0.98 0.00 0.00 173.24 170.98 1e9j s GLN 20 N 7.61 1.96 -0.33 4.02 -0.21 0.27 -4.93 119.66 128.05 1e9j s GLN 20 Ca 0.96 -2.11 -0.02 0.00 0.02 0.00 0.00 55.36 54.21 1e9j s GLN 20 Cb -0.21 -1.61 -0.02 0.00 1.00 0.00 0.00 33.01 32.17 1e9j s GLN 20 CO 0.28 -0.06 1.41 -0.35 -2.12 0.00 0.00 175.29 174.45 1e9j n PRO 21 N -0.97 0.79 0.00 2.91 -0.04 -1.26 -1.44 135.00 134.99 1e9j n PRO 21 Ca -0.05 -0.82 0.00 0.00 -0.04 0.00 0.00 63.50 62.59 1e9j n PRO 21 Cb 0.67 -2.13 0.00 0.00 -0.04 0.00 0.00 33.50 32.00 1e9j n PRO 21 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1e9j n GLY 22 N 3.81 0.18 2.74 0.55 0.00 -1.26 -5.11 105.19 106.11 1e9j n GLY 22 Ca 0.17 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.31 -0.94 4.61 0.00 -0.52 -5.06 121.76 119.54 1e9j s ALA 23 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 51.96 51.92 1e9j s ALA 23 Cb 0.00 -1.52 0.30 0.00 0.00 0.00 0.00 23.12 21.90 1e9j s ALA 23 CO 0.00 -1.43 1.33 -0.35 0.00 0.00 0.00 175.76 175.30 1e9j n PRO 24 N 5.31 4.09 -0.57 0.00 -0.04 -1.26 0.95 135.00 143.48 1e9j n PRO 24 Ca -0.04 -4.62 0.00 0.00 -0.04 0.00 0.00 63.50 58.80 1e9j n PRO 24 Cb 0.48 -2.43 0.00 0.00 -0.04 0.00 0.00 33.50 31.51 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 0.91 0.00 -2.77 0.52 2.08 -1.26 -4.22 119.36 114.62 1e9j n ILE 25 Ca 0.30 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.61 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 0.29 117.00 122.19 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 -0.35 3.23 0.00 -1.26 -4.13 117.38 114.86 1e9j n GLN 27 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 57.00 56.85 1e9j n GLN 27 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 30.24 30.21 1e9j n GLN 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1e9j s MET 29 N 1.05 0.39 0.00 0.00 0.00 0.60 -4.83 119.30 116.51 1e9j s MET 29 Ca 0.26 -0.95 0.00 0.00 0.00 0.00 0.00 55.69 55.00 1e9j s MET 29 Cb -0.35 -1.22 0.00 0.00 0.00 0.00 0.00 34.83 33.26 1e9j s MET 29 CO 0.17 -1.12 0.00 0.41 0.00 0.00 0.00 175.02 174.48 1e9j n GLY 30 N 4.59 2.91 3.24 2.11 0.00 -1.26 -4.41 105.19 112.39 1e9j n GLY 30 Ca 0.04 -0.54 -0.13 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.75 -2.85 0.00 0.00 3.01 -1.26 -5.01 117.46 110.60 1e9j n PHE 33 Ca 0.51 1.07 0.00 0.00 1.01 0.00 0.00 57.45 60.04 1e9j n PHE 33 Cb 1.20 -4.03 0.00 0.00 -0.01 0.00 0.00 39.48 36.64 1e9j n PHE 33 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1e9j n SER 34 N -2.02 0.00 0.00 4.37 3.41 -1.26 -4.99 113.62 113.13 1e9j n SER 34 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 1e9j n SER 34 Cb 0.53 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 1e9j n SER 34 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1e9j n ARG 35 N 0.00 0.00 0.00 4.33 0.63 -1.26 -4.75 116.66 115.61 1e9j n ARG 35 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1e9j n ARG 35 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 1e9j n ARG 35 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1e9j n ALA 36 N -0.66 0.00 -1.27 5.13 0.00 -1.26 -5.07 120.51 117.37 1e9j n ALA 36 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1e9j n ALA 36 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.47 -0.97 1.38 0.00 4.02 -1.26 -4.92 117.16 114.95 1e9j n TYR 37 Ca 0.00 0.57 0.14 0.00 -0.01 0.00 0.00 57.90 58.60 1e9j n TYR 37 Cb 0.00 -2.37 0.46 0.00 -0.02 0.00 0.00 39.34 37.41 1e9j n TYR 37 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 1e9j n PRO 38 N 0.37 1.29 -0.29 -0.72 -0.04 -1.26 -3.92 135.00 130.43 1e9j n PRO 38 Ca 0.00 -0.75 0.11 0.00 -0.04 0.00 0.00 63.50 62.82 1e9j n PRO 38 Cb 0.00 -1.48 0.28 0.00 -0.04 0.00 0.00 33.50 32.26 1e9j n PRO 38 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1e9j n THR 39 N -0.20 0.76 0.59 0.52 -1.04 -1.26 -4.35 114.28 109.31 1e9j n THR 39 Ca 0.16 -0.83 0.12 0.00 -2.04 0.00 0.00 64.05 61.45 1e9j n THR 39 Cb 0.35 0.58 0.46 0.00 -1.82 0.00 0.00 70.33 69.90 1e9j n THR 39 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1e9j n PRO 40 N 1.42 0.15 -3.87 -2.82 -0.02 -1.25 -4.90 135.00 123.72 1e9j n PRO 40 Ca 0.21 0.26 -0.10 0.00 -2.02 0.00 0.00 63.50 61.85 1e9j n PRO 40 Cb 0.57 -1.73 0.01 0.00 -0.02 0.00 0.00 33.50 32.33 1e9j n PRO 40 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 1e9j s LEU 41 N -4.00 0.26 -0.10 2.45 0.05 -1.26 -5.07 118.68 111.01 1e9j s LEU 41 Ca 0.08 -1.28 0.04 0.00 0.05 0.00 0.00 54.13 53.02 1e9j s LEU 41 Cb 0.12 2.56 0.11 0.00 -2.05 0.00 0.00 46.19 46.94 1e9j s LEU 41 CO 0.46 -1.64 1.12 -2.11 -0.55 0.00 0.00 176.35 173.62 1e9j n ARG 42 N -0.55 0.38 -0.70 1.48 1.85 -1.26 -5.05 116.66 112.80 1e9j n ARG 42 Ca -0.07 -1.01 0.00 0.00 -1.00 0.00 0.00 57.85 55.77 1e9j n ARG 42 Cb 0.60 0.47 0.00 0.00 -1.05 0.00 0.00 32.46 32.49 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 -0.44 -0.94 0.00 2.89 2.88 -1.26 -5.07 113.62 111.68 1e9j n SER 43 Ca -0.24 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.30 1e9j n SER 43 Cb 0.73 -0.47 0.00 0.00 -0.75 0.00 0.00 64.21 63.72 1e9j n SER 43 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1e9j n LYS 44 N -0.10 1.87 0.00 -1.46 2.85 -1.26 -5.09 118.16 114.97 1e9j n LYS 44 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1e9j n LYS 44 Cb 0.00 -0.84 0.00 0.00 -0.65 0.00 0.00 35.03 33.54 1e9j n LYS 44 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71 1e9j n LYS 45 N -1.71 0.00 -0.29 -1.58 2.85 -1.26 -5.16 118.16 111.01 1e9j n LYS 45 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1e9j n LYS 45 Cb 0.34 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.72 1e9j n LYS 45 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 1e9j n THR 46 N 0.00 0.00 -0.12 0.58 -2.24 -1.26 -5.04 114.28 106.20 1e9j n THR 46 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1e9j n THR 46 Cb 0.00 -1.40 0.00 0.00 -2.10 0.00 0.00 70.33 66.83 1e9j n THR 46 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 1e9j n MET 47 N -0.49 0.00 -3.11 -0.78 0.00 -1.26 -4.93 117.12 106.56 1e9j n MET 47 Ca 0.00 0.12 -0.26 0.00 0.00 0.00 0.00 57.70 57.57 1e9j n MET 47 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 33.22 33.17 1e9j n MET 47 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 175.97 175.86 1e9j n LEU 48 N -0.25 3.59 0.00 -0.89 -0.00 -1.26 -5.00 117.00 113.19 1e9j n LEU 48 Ca 0.00 -5.48 0.00 0.00 -0.00 0.00 0.00 56.01 50.53 1e9j n LEU 48 Cb 0.00 -0.35 -0.00 0.00 -0.00 0.00 0.00 43.42 43.07 1e9j n LEU 48 CO 0.00 2.26 -0.01 0.52 -0.00 0.00 0.00 177.39 180.16 1e9j n VAL 49 N 0.19 0.00 0.00 1.96 0.31 -1.26 -5.01 118.33 114.52 1e9j n VAL 49 Ca 0.29 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.62 1e9j n VAL 49 Cb 0.44 -0.01 0.00 0.00 -0.91 0.00 0.00 33.84 33.36 1e9j n VAL 49 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1e9j n GLN 50 N -0.38 0.00 0.00 5.55 1.13 -1.26 -4.97 117.38 117.45 1e9j n GLN 50 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1e9j n GLN 50 Cb 0.01 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.36 1e9j n GLN 50 CO 0.00 0.00 0.00 0.36 -1.44 0.00 0.00 177.06 175.98 1e9j n LYS 51 N -0.83 0.00 -0.60 -1.09 2.85 -1.26 -4.58 118.16 112.65 1e9j n LYS 51 Ca 0.00 0.00 -0.28 0.00 -1.05 0.00 0.00 58.31 56.98 1e9j n LYS 51 Cb 0.00 0.00 0.25 0.00 -0.65 0.00 0.00 35.03 34.63 1e9j n LYS 51 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1e9j s ASN 52 N -3.29 0.96 0.15 -5.58 2.20 -1.26 -5.07 114.94 103.06 1e9j s ASN 52 Ca 0.00 1.44 0.02 0.00 -0.94 0.00 0.00 52.86 53.38 1e9j s ASN 52 Cb 0.00 -2.23 -0.01 0.00 -2.00 0.00 0.00 41.25 37.01 1e9j s ASN 52 CO 0.00 -4.20 0.16 1.33 -2.94 0.00 0.00 177.10 171.45 1e9j n VAL 53 N -4.91 0.00 -2.02 3.54 0.24 -1.26 -4.96 118.33 108.95 1e9j n VAL 53 Ca 0.03 -0.99 -0.05 0.00 -2.04 0.00 0.00 64.34 61.29 1e9j n VAL 53 Cb 0.55 0.53 0.01 0.00 -1.47 0.00 0.00 33.84 33.45 1e9j n VAL 53 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 1e9j n THR 54 N -0.27 -1.30 -0.78 3.34 5.66 -1.26 -4.81 114.28 114.86 1e9j n THR 54 Ca 0.02 0.21 -0.32 0.00 -3.05 0.00 0.00 64.05 60.91 1e9j n THR 54 Cb 0.27 -1.65 0.11 0.00 -1.55 0.00 0.00 70.33 67.51 1e9j n THR 54 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1e9j n SER 55 N 1.14 -2.66 -4.77 1.09 3.41 -1.26 -4.86 113.62 105.70 1e9j n SER 55 Ca -0.01 -0.11 -0.29 0.00 -0.26 0.00 0.00 58.87 58.20 1e9j n SER 55 Cb 0.29 -0.74 -0.06 0.00 -0.26 0.00 0.00 64.21 63.44 1e9j n SER 55 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1e9j s GLU 56 N -2.84 2.82 -0.06 4.33 2.12 -1.26 -4.99 118.70 118.83 1e9j s GLU 56 Ca 0.44 -0.79 -0.02 0.00 0.36 0.00 0.00 54.97 54.96 1e9j s GLU 56 Cb -0.02 -2.66 -0.04 0.00 0.26 0.00 0.00 34.13 31.68 1e9j s GLU 56 CO 0.60 0.53 0.07 0.45 -0.54 0.00 0.00 175.26 176.37 1e9j s SER 57 N -2.63 5.72 0.50 -1.70 0.15 -1.26 -4.96 113.70 109.52 1e9j s SER 57 Ca 0.29 0.22 0.00 0.00 0.70 0.00 0.00 55.95 57.17 1e9j s SER 57 Cb -0.11 -1.69 0.00 0.00 -1.71 0.00 0.00 66.02 62.51 1e9j s SER 57 CO 0.22 0.34 0.00 0.35 1.20 0.00 0.00 173.24 175.34 1e9j n THR 58 N 1.66 -4.75 -3.81 6.45 -2.24 -1.26 -4.92 114.28 105.41 1e9j n THR 58 Ca -0.16 2.19 -0.12 0.00 -2.27 0.00 0.00 64.05 63.69 1e9j n THR 58 Cb 0.53 -3.06 -0.09 0.00 -2.10 0.00 0.00 70.33 65.62 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 -2.80 0.00 0.00 0.00 3.14 -1.14 -4.90 118.33 112.64 1e9j n VAL 61 Ca 0.13 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.51 1e9j n VAL 61 Cb 0.46 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.24 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 0.00 0.00 -0.35 1.55 0.00 -1.25 -4.31 120.51 116.14 1e9j n ALA 62 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 1e9j n ALA 62 Cb 0.00 0.00 0.29 0.00 0.00 0.00 0.00 19.45 19.74 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 0.80 -2.99 0.00 3.64 0.92 -3.39 116.57 115.56 1e9j h LYS 63 Ca 0.00 -0.05 -0.25 0.00 -1.27 0.00 0.00 60.65 59.08 1e9j h LYS 63 Cb 0.00 -0.18 -0.34 0.00 -0.41 0.00 0.00 32.23 31.30 1e9j h LYS 63 CO 0.00 0.53 -0.58 -1.12 -2.27 0.00 0.00 179.45 176.02 1e9j s SER 64 N -5.50 0.45 0.26 4.20 0.01 -0.87 -4.93 113.70 107.33 1e9j s SER 64 Ca -0.12 0.47 0.06 0.00 1.31 0.00 0.00 55.95 57.67 1e9j s SER 64 Cb 0.24 0.48 -0.03 0.00 0.21 0.00 0.00 66.02 66.92 1e9j s SER 64 CO 0.80 -0.23 0.30 -0.72 0.41 0.00 0.00 173.24 173.80 1e9j s TYR 65 N 2.22 3.23 -0.07 2.43 1.13 -1.25 0.33 117.35 125.37 1e9j s TYR 65 Ca 0.01 -0.10 0.18 0.00 -1.41 0.00 0.00 57.07 55.75 1e9j s TYR 65 Cb -0.12 -1.55 0.37 0.00 -1.10 0.00 0.00 41.96 39.56 1e9j s TYR 65 CO -0.07 0.41 1.16 -1.71 -2.51 0.00 0.00 175.55 172.84 1e9j n ASN 66 N -1.33 1.17 0.00 -0.18 5.15 0.50 -4.72 115.26 115.85 1e9j n ASN 66 Ca -0.07 -2.62 0.00 0.00 -0.60 0.00 0.00 54.58 51.29 1e9j n ASN 66 Cb 0.58 -0.36 0.00 0.00 -0.53 0.00 0.00 39.78 39.46 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 -0.14 0.00 -2.55 1.20 0.63 -1.22 -3.94 116.66 110.64 1e9j n ARG 67 Ca 0.10 0.00 -0.18 0.00 -0.92 0.00 0.00 57.85 56.85 1e9j n ARG 67 Cb 0.94 0.00 0.02 0.00 0.45 0.00 0.00 32.46 33.86 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 1.74 -0.74 5.15 0.24 -1.26 -4.62 118.33 118.84 1e9j n VAL 68 Ca 0.00 -4.02 -0.30 0.00 -2.04 0.00 0.00 64.34 57.98 1e9j n VAL 68 Cb 0.00 -0.33 -0.05 0.00 -1.47 0.00 0.00 33.84 31.99 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 -0.31 0.00 -3.85 3.34 -1.04 -1.25 -4.78 114.28 106.39 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 0.75 -0.22 0.00 0.00 -1.82 0.00 0.00 70.33 69.03 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 2.02 0.00 0.00 12.58 0.31 -1.22 -4.76 118.33 127.26 1e9j n VAL 70 Ca 0.16 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.49 1e9j n VAL 70 Cb -0.03 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.90 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 -0.65 5.55 2.81 -1.26 0.15 117.12 123.72 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 0.29 0.00 -0.71 0.00 0.00 33.22 32.80 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 2.56 0.00 3.03 0.00 -1.26 -4.74 105.19 104.78 1e9j n GLY 72 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.36 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 0.46 0.98 2.65 -0.02 0.00 0.48 -5.15 105.19 104.58 1e9j n GLY 73 Ca 0.20 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.03 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 -3.78 -3.41 1.61 3.01 0.39 -4.83 117.46 110.45 1e9j n PHE 74 Ca 0.00 -0.90 0.01 0.00 1.01 0.00 0.00 57.45 57.57 1e9j n PHE 74 Cb 0.00 -0.66 -0.03 0.00 -0.01 0.00 0.00 39.48 38.79 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 -4.82 0.57 -0.06 -1.08 1.02 -1.26 -3.38 119.74 110.73 1e9j s LYS 75 Ca 0.50 1.24 0.12 0.00 0.02 0.00 0.00 55.97 57.85 1e9j s LYS 75 Cb -0.02 0.72 0.34 0.00 -0.52 0.00 0.00 37.83 38.36 1e9j s LYS 75 CO 0.35 -0.40 1.27 1.33 -0.92 0.00 0.00 175.35 176.98 1e9j n VAL 76 N 5.44 1.46 -2.69 3.17 0.24 -1.26 -4.92 118.33 119.77 1e9j n VAL 76 Ca -0.07 -1.35 -0.17 0.00 -2.04 0.00 0.00 64.34 60.72 1e9j n VAL 76 Cb 0.50 0.22 -0.03 0.00 -1.47 0.00 0.00 33.84 33.06 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 -0.03 -0.90 0.00 7.34 4.07 -1.26 -1.74 120.64 128.12 1e9j n GLU 77 Ca 0.14 0.05 0.00 0.00 -0.06 0.00 0.00 57.16 57.29 1e9j n GLU 77 Cb 0.57 -1.89 0.00 0.00 -0.06 0.00 0.00 31.44 30.06 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 -0.51 0.00 -4.45 4.31 5.15 -1.25 -0.97 115.26 117.54 1e9j n ASN 78 Ca 0.05 0.00 -0.54 0.00 -0.60 0.00 0.00 54.58 53.48 1e9j n ASN 78 Cb 0.18 0.00 -0.08 0.00 -0.53 0.00 0.00 39.78 39.35 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 1.57 0.37 1.20 8.25 -0.71 0.19 115.22 126.09 1e9j n HIS 79 Ca 0.00 0.45 0.11 0.00 -0.26 0.00 0.00 57.72 58.03 1e9j n HIS 79 Cb 0.00 -2.46 0.03 0.00 1.12 0.00 0.00 29.99 28.69 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 6.54 0.35 -3.58 1.59 -2.24 0.99 -4.86 114.28 113.06 1e9j n THR 80 Ca 0.42 -0.37 -0.12 0.00 -2.27 0.00 0.00 64.05 61.71 1e9j n THR 80 Cb 0.14 -0.07 -0.06 0.00 -2.10 0.00 0.00 70.33 68.25 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 -3.27 -1.91 0.00 6.98 0.00 -0.50 -4.85 121.76 118.21 1e9j s ALA 81 Ca 0.02 1.62 0.04 0.00 0.00 0.00 0.00 51.96 53.64 1e9j s ALA 81 Cb 0.13 -0.77 -0.01 0.00 0.00 0.00 0.00 23.12 22.47 1e9j s ALA 81 CO 0.79 -0.30 -0.11 0.00 0.00 0.00 0.00 175.76 176.13 1e9j s HIS 83 N -0.38 0.21 0.53 0.00 -3.43 -1.26 -4.63 115.29 106.34 1e9j s HIS 83 Ca 0.03 0.09 -0.05 0.00 -0.80 0.00 0.00 55.06 54.33 1e9j s HIS 83 Cb -0.05 -0.44 -0.01 0.00 -1.43 0.00 0.00 32.58 30.66 1e9j s HIS 83 CO -0.00 -0.16 0.83 0.00 -2.00 0.00 0.00 174.74 173.41 1e9j n SER 85 N -2.40 0.00 -2.89 0.00 3.41 0.12 -4.77 113.62 107.09 1e9j n SER 85 Ca 0.03 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.61 1e9j n SER 85 Cb 0.57 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 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 -0.73 -9.82 0.00 6.66 -1.04 -1.26 -4.20 114.28 103.88 1e9j n THR 86 Ca 0.00 0.11 0.00 0.00 -2.04 0.00 0.00 64.05 62.12 1e9j n THR 86 Cb 0.00 -6.81 0.00 0.00 -1.82 0.00 0.00 70.33 61.70 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 0.00 -1.00 -4.32 0.00 0.18 -1.26 -4.77 117.16 105.99 1e9j n TYR 88 Ca 0.00 0.00 -0.17 0.00 1.88 0.00 0.00 57.90 59.61 1e9j n TYR 88 Cb 0.00 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 38.86 1e9j n TYR 88 CO 0.00 0.00 0.00 0.71 -2.08 0.00 0.00 176.86 175.49 1e9j s TYR 89 N 1.17 1.54 0.00 -3.48 2.02 -1.26 -5.15 117.35 112.19 1e9j s TYR 89 Ca 0.00 -1.10 0.00 0.00 -0.37 0.00 0.00 57.07 55.60 1e9j s TYR 89 Cb 0.00 -0.91 0.00 0.00 -0.40 0.00 0.00 41.96 40.65 1e9j s TYR 89 CO 0.00 -0.24 0.00 -2.39 -1.57 0.00 0.00 175.55 171.35 1e9j n HIS 90 N -0.45 0.00 -3.64 2.71 -0.00 -1.26 -5.18 115.22 107.40 1e9j n HIS 90 Ca -0.02 0.00 -0.06 0.00 -0.00 0.00 0.00 57.72 57.64 1e9j n HIS 90 Cb 0.66 0.00 -0.07 0.00 -0.00 0.00 0.00 29.99 30.58 1e9j n HIS 90 CO 0.00 0.00 0.00 -1.59 -0.00 0.00 0.00 176.34 174.75 1e9j s LYS 91 N -1.17 0.26 0.00 -1.40 -2.85 -1.26 -5.33 119.74 107.99 1e9j s LYS 91 Ca 0.00 0.26 0.00 0.00 -1.00 0.00 0.00 55.97 55.23 1e9j s LYS 91 Cb 0.00 0.12 0.00 0.00 -2.06 0.00 0.00 37.83 35.89 1e9j s LYS 91 CO 0.00 -0.04 0.00 -1.13 0.10 0.00 0.00 175.35 174.28