#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 1.55 -3.46 0.00 -0.04 -1.26 -4.82 135.00 126.98 1e9j n PRO 2 Ca 0.00 -0.64 -0.43 0.00 -0.04 0.00 0.00 63.50 62.39 1e9j n PRO 2 Cb 0.00 -1.68 -0.09 0.00 -0.04 0.00 0.00 33.50 31.69 1e9j n PRO 2 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1e9j s ASP 3 N 2.06 6.00 -0.35 3.54 1.11 -1.26 -5.05 116.67 122.73 1e9j s ASP 3 Ca 0.43 -1.31 -0.14 0.00 0.18 0.00 0.00 52.55 51.71 1e9j s ASP 3 Cb 0.20 -2.13 -0.01 0.00 1.07 0.00 0.00 42.92 42.05 1e9j s ASP 3 CO 0.00 -0.59 0.30 0.68 1.18 0.00 0.00 175.17 176.74 1e9j s VAL 4 N 1.59 5.23 0.60 -1.27 -7.23 -1.26 -5.07 120.40 112.98 1e9j s VAL 4 Ca 0.04 -0.12 0.08 0.00 -1.81 0.00 0.00 61.98 60.17 1e9j s VAL 4 Cb -0.23 -3.78 0.09 0.00 0.56 0.00 0.00 36.38 33.03 1e9j s VAL 4 CO 0.06 -0.06 0.82 0.00 -0.31 0.00 0.00 175.10 175.61 1e9j s GLN 5 N 1.85 2.21 -0.23 4.82 0.00 -1.26 -4.98 119.66 122.07 1e9j s GLN 5 Ca 0.09 -1.58 -0.32 0.00 -0.00 0.00 0.00 55.36 53.54 1e9j s GLN 5 Cb -0.17 -2.60 -0.14 0.00 0.00 0.00 0.00 33.01 30.09 1e9j s GLN 5 CO 0.11 -0.95 1.01 -0.25 0.00 0.00 0.00 175.29 175.21 1e9j n ASP 6 N -2.33 0.55 -2.69 12.60 9.92 -1.26 -4.88 116.55 128.45 1e9j n ASP 6 Ca 0.16 0.85 -0.04 0.00 -0.53 0.00 0.00 54.79 55.23 1e9j n ASP 6 Cb 0.61 -0.65 0.04 0.00 -0.64 0.00 0.00 41.12 40.49 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 2.26 2.21 -4.08 0.00 -0.02 -1.26 -4.69 135.00 129.41 1e9j n PRO 8 Ca 0.10 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 61.22 1e9j n PRO 8 Cb 0.65 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 34.06 1e9j n PRO 8 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1e9j s GLU 9 N 0.00 3.24 0.18 -0.52 2.56 -1.26 -3.54 118.70 119.36 1e9j s GLU 9 Ca 0.00 -0.28 -0.32 0.00 0.00 0.00 0.00 54.97 54.37 1e9j s GLU 9 Cb 0.00 -3.01 -0.11 0.00 2.00 0.00 0.00 34.13 33.01 1e9j s GLU 9 CO 0.00 0.73 1.64 0.00 -0.56 0.00 0.00 175.26 177.07 1e9j n THR 11 N 3.98 0.00 -3.41 0.00 5.66 -1.23 -4.92 114.28 114.36 1e9j n THR 11 Ca 0.15 0.00 -0.38 0.00 -3.05 0.00 0.00 64.05 60.77 1e9j n THR 11 Cb 0.37 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.09 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 4.39 -0.74 1.09 1.02 -1.26 0.31 118.68 123.49 1e9j s LEU 12 Ca 0.00 0.91 0.00 0.00 0.02 0.00 0.00 54.13 55.06 1e9j s LEU 12 Cb 0.00 -2.64 0.37 0.00 0.02 0.00 0.00 46.19 43.93 1e9j s LEU 12 CO 0.00 0.18 1.69 0.00 0.02 0.00 0.00 176.35 178.24 1e9j n GLN 13 N 2.63 3.29 0.00 1.70 6.02 -1.23 -4.75 117.38 125.03 1e9j n GLN 13 Ca -0.11 -4.01 0.00 0.00 -0.01 0.00 0.00 57.00 52.87 1e9j n GLN 13 Cb 0.52 -2.29 0.00 0.00 1.02 0.00 0.00 30.24 29.49 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 -0.45 0.00 -1.76 -1.09 2.13 -1.25 -4.51 120.64 113.71 1e9j n GLU 14 Ca 0.48 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.89 1e9j n GLU 14 Cb 0.36 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.04 1e9j n GLU 14 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 1e9j s ASN 15 N 0.00 5.32 0.00 4.31 3.84 1.15 -4.72 114.94 124.84 1e9j s ASN 15 Ca 0.00 1.34 0.00 0.00 0.21 0.00 0.00 52.86 54.41 1e9j s ASN 15 Cb 0.00 -2.51 0.00 0.00 -0.55 0.00 0.00 41.25 38.19 1e9j s ASN 15 CO 0.00 -2.16 0.86 -0.81 -2.79 0.00 0.00 177.10 172.21 1e9j n PRO 16 N 8.78 0.96 -0.05 0.43 -0.04 -1.26 -2.20 135.00 141.61 1e9j n PRO 16 Ca 0.28 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.68 1e9j n PRO 16 Cb 0.49 -1.09 -0.02 0.00 -0.04 0.00 0.00 33.50 32.83 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 -0.40 0.00 1.99 0.54 -0.00 -1.26 -4.57 117.46 113.76 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 0.05 -0.33 0.91 0.00 -0.00 0.00 0.00 39.48 40.11 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 0.00 -1.46 -5.13 3.72 -1.23 -4.85 117.46 104.61 1e9j n PHE 18 Ca -0.09 -0.00 -0.49 0.00 -0.05 0.00 0.00 57.45 56.82 1e9j n PHE 18 Cb 0.34 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.81 1e9j n PHE 18 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1e9j n SER 19 N -0.95 2.09 -4.88 4.37 3.41 -0.93 -4.54 113.62 112.18 1e9j n SER 19 Ca 0.23 0.33 -0.26 0.00 -0.26 0.00 0.00 58.87 58.91 1e9j n SER 19 Cb 0.11 -1.28 -0.02 0.00 -0.26 0.00 0.00 64.21 62.77 1e9j n SER 19 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1e9j s GLN 20 N 6.51 2.27 0.00 4.33 -1.52 0.89 -4.84 119.66 127.30 1e9j s GLN 20 Ca 1.10 -1.98 -0.21 0.00 -1.95 0.00 0.00 55.36 52.32 1e9j s GLN 20 Cb -0.81 -2.09 -0.26 0.00 -0.22 0.00 0.00 33.01 29.63 1e9j s GLN 20 CO 0.47 -0.53 1.28 -2.30 -0.25 0.00 0.00 175.29 173.95 1e9j n PRO 21 N -1.69 0.00 0.00 2.91 -0.02 -1.26 -0.40 135.00 134.54 1e9j n PRO 21 Ca -0.02 -0.73 0.00 0.00 -2.02 0.00 0.00 63.50 60.73 1e9j n PRO 21 Cb 0.64 -2.12 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 4.54 1.82 3.16 -1.23 0.00 -1.26 -5.09 105.19 107.13 1e9j n GLY 22 Ca 0.32 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.36 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 -2.60 -0.32 4.61 0.00 0.46 -5.02 121.76 116.89 1e9j s ALA 23 Ca 0.00 0.57 0.02 0.00 0.00 0.00 0.00 51.96 52.55 1e9j s ALA 23 Cb 0.00 -2.71 0.41 0.00 0.00 0.00 0.00 23.12 20.82 1e9j s ALA 23 CO 0.00 -2.13 1.67 -0.35 0.00 0.00 0.00 175.76 174.95 1e9j n PRO 24 N 4.66 1.87 0.00 0.00 -0.04 -1.26 0.30 135.00 140.53 1e9j n PRO 24 Ca 0.09 -2.00 0.00 0.00 -0.04 0.00 0.00 63.50 61.55 1e9j n PRO 24 Cb 0.57 -1.78 0.00 0.00 -0.04 0.00 0.00 33.50 32.24 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 -0.49 0.00 -2.58 0.52 2.08 -1.25 0.16 119.36 117.80 1e9j n ILE 25 Ca 0.40 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.71 1e9j n ILE 25 Cb 1.16 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 40.05 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 0.36 117.00 122.26 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 7.27 -1.26 -4.27 117.38 122.00 1e9j n GLN 27 Ca 0.00 0.00 -0.16 0.00 0.07 0.00 0.00 57.00 56.91 1e9j n GLN 27 Cb 0.00 0.00 -0.03 0.00 2.41 0.00 0.00 30.24 32.62 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 1.36 0.02 0.00 0.00 -1.94 0.92 -4.84 119.30 114.82 1e9j s MET 29 Ca 0.30 0.23 0.00 0.00 -1.71 0.00 0.00 55.69 54.50 1e9j s MET 29 Cb -0.38 -0.39 0.00 0.00 2.01 0.00 0.00 34.83 36.07 1e9j s MET 29 CO 0.18 -0.22 0.00 0.41 -0.01 0.00 0.00 175.02 175.38 1e9j n GLY 30 N 4.55 -0.57 3.64 -0.03 0.00 -1.26 -3.52 105.19 107.99 1e9j n GLY 30 Ca -0.20 -1.08 -0.25 0.00 0.00 0.00 0.00 46.02 44.50 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 -0.24 -1.64 -0.40 0.00 3.72 -1.26 -4.85 117.46 112.79 1e9j n PHE 33 Ca 0.02 0.15 0.00 0.00 -0.05 0.00 0.00 57.45 57.57 1e9j n PHE 33 Cb 0.57 -0.22 0.00 0.00 -0.94 0.00 0.00 39.48 38.89 1e9j n PHE 33 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1e9j n SER 34 N -3.90 0.00 -3.78 4.37 2.88 -1.26 -4.82 113.62 107.11 1e9j n SER 34 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1e9j n SER 34 Cb 0.06 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.52 1e9j n SER 34 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 1e9j n ARG 35 N 0.00 1.18 -1.52 -1.46 1.85 -1.26 -4.83 116.66 110.61 1e9j n ARG 35 Ca 0.00 0.00 -0.50 0.00 -1.00 0.00 0.00 57.85 56.35 1e9j n ARG 35 Cb 0.00 0.00 -0.04 0.00 -1.05 0.00 0.00 32.46 31.37 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 -3.00 -1.70 -1.56 2.89 0.00 -1.26 -4.76 120.51 111.12 1e9j n ALA 36 Ca 0.00 0.47 -0.52 0.00 0.00 0.00 0.00 53.44 53.39 1e9j n ALA 36 Cb 0.00 -1.88 -0.06 0.00 0.00 0.00 0.00 19.45 17.52 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 0.92 1.20 -0.46 0.00 4.01 -1.26 -4.91 117.16 116.67 1e9j n TYR 37 Ca 0.16 0.74 -0.29 0.00 -0.16 0.00 0.00 57.90 58.35 1e9j n TYR 37 Cb 0.23 -2.26 0.25 0.00 -0.31 0.00 0.00 39.34 37.25 1e9j n TYR 37 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1e9j n PRO 38 N 2.02 -2.91 -1.71 -0.72 -0.04 -1.26 -4.88 135.00 125.50 1e9j n PRO 38 Ca 0.18 -0.84 -0.43 0.00 -0.04 0.00 0.00 63.50 62.37 1e9j n PRO 38 Cb 0.19 -1.97 -0.02 0.00 -0.04 0.00 0.00 33.50 31.66 1e9j n PRO 38 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1e9j n THR 39 N -5.07 0.93 -2.52 0.52 -2.24 -1.26 -4.93 114.28 99.71 1e9j n THR 39 Ca 0.04 -0.23 -0.40 0.00 -2.27 0.00 0.00 64.05 61.19 1e9j n THR 39 Cb 0.56 -1.71 -0.05 0.00 -2.10 0.00 0.00 70.33 67.03 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 -0.37 4.62 -0.90 -0.78 0.04 -1.26 -4.87 135.00 131.48 1e9j s PRO 40 Ca 0.67 1.72 -0.18 0.00 0.04 0.00 0.00 61.00 63.26 1e9j s PRO 40 Cb -0.58 -3.13 -0.24 0.00 0.04 0.00 0.00 34.50 30.59 1e9j s PRO 40 CO 0.48 0.22 2.29 1.47 0.04 0.00 0.00 177.00 181.50 1e9j n LEU 41 N 1.09 0.09 -2.18 -3.56 -0.00 -1.26 -2.22 117.00 108.96 1e9j n LEU 41 Ca -0.01 -0.92 -0.03 0.00 -0.00 0.00 0.00 56.01 55.06 1e9j n LEU 41 Cb 0.46 -1.06 -0.00 0.00 -0.00 0.00 0.00 43.42 42.82 1e9j n LEU 41 CO 0.52 -1.93 -0.03 -1.14 -0.00 0.00 0.00 177.39 174.81 1e9j n ARG 42 N 7.12 -2.44 -3.55 1.47 0.63 -1.26 -4.87 116.66 113.76 1e9j n ARG 42 Ca 0.58 0.14 -0.38 0.00 -0.92 0.00 0.00 57.85 57.27 1e9j n ARG 42 Cb 0.27 -4.56 -0.06 0.00 0.45 0.00 0.00 32.46 28.56 1e9j n ARG 42 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1e9j s SER 43 N -1.84 6.74 -0.27 6.15 0.15 -0.94 -5.00 113.70 118.69 1e9j s SER 43 Ca 0.00 0.88 -0.29 0.00 0.70 0.00 0.00 55.95 57.24 1e9j s SER 43 Cb 0.00 -2.23 -0.06 0.00 -1.71 0.00 0.00 66.02 62.02 1e9j s SER 43 CO 0.00 0.32 2.25 2.29 1.20 0.00 0.00 173.24 179.30 1e9j n LYS 44 N 1.95 1.76 0.00 5.44 2.85 -1.26 -4.44 118.16 124.46 1e9j n LYS 44 Ca -0.14 0.45 0.00 0.00 -1.05 0.00 0.00 58.31 57.56 1e9j n LYS 44 Cb 0.53 -3.18 0.00 0.00 -0.65 0.00 0.00 35.03 31.73 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 8.74 0.00 -0.03 -1.58 0.00 -1.26 -4.86 118.16 119.17 1e9j n LYS 45 Ca 0.32 0.00 0.01 0.00 -0.00 0.00 0.00 58.31 58.64 1e9j n LYS 45 Cb 0.43 0.00 0.01 0.00 -0.00 0.00 0.00 35.03 35.48 1e9j n LYS 45 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 1e9j n THR 46 N 0.77 0.72 0.00 0.58 -1.04 -1.26 -4.78 114.28 109.27 1e9j n THR 46 Ca 0.00 -0.75 0.00 0.00 -2.04 0.00 0.00 64.05 61.26 1e9j n THR 46 Cb 0.00 0.59 0.00 0.00 -1.82 0.00 0.00 70.33 69.10 1e9j n THR 46 CO 0.00 0.00 0.00 0.23 -0.64 0.00 0.00 175.07 174.66 1e9j n MET 47 N -0.40 1.01 0.00 -2.82 2.81 -1.26 -5.07 117.12 111.39 1e9j n MET 47 Ca 0.01 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.90 1e9j n MET 47 Cb 0.38 -0.61 0.00 0.00 -0.71 0.00 0.00 33.22 32.28 1e9j n MET 47 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1e9j n LEU 48 N -0.80 0.00 -4.53 4.03 4.32 -1.26 -4.81 117.00 113.95 1e9j n LEU 48 Ca 0.00 0.00 -0.31 0.00 -0.02 0.00 0.00 56.01 55.68 1e9j n LEU 48 Cb 0.10 0.00 -0.12 0.00 -1.62 0.00 0.00 43.42 41.79 1e9j n LEU 48 CO 0.00 -1.23 -0.44 -0.69 -1.22 0.00 0.00 177.39 173.81 1e9j s VAL 49 N 0.00 3.22 0.02 4.08 1.01 -1.26 -4.92 120.40 122.55 1e9j s VAL 49 Ca 0.00 -0.97 0.01 0.00 0.00 0.00 0.00 61.98 61.02 1e9j s VAL 49 Cb 0.00 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.96 1e9j s VAL 49 CO 0.00 0.37 0.06 -1.58 0.00 0.00 0.00 175.10 173.95 1e9j s GLN 50 N -1.42 2.95 -0.39 2.72 0.74 -1.26 -5.09 119.66 117.92 1e9j s GLN 50 Ca 0.16 -0.57 -0.16 0.00 0.05 0.00 0.00 55.36 54.83 1e9j s GLN 50 Cb -0.11 -2.78 0.01 0.00 1.10 0.00 0.00 33.01 31.23 1e9j s GLN 50 CO 0.06 0.62 0.41 0.15 -0.55 0.00 0.00 175.29 175.98 1e9j s LYS 51 N -1.90 3.31 0.20 1.67 1.02 -1.26 -5.01 119.74 117.77 1e9j s LYS 51 Ca 0.24 -0.59 -0.21 0.00 0.02 0.00 0.00 55.97 55.42 1e9j s LYS 51 Cb -0.12 -3.90 0.08 0.00 -0.52 0.00 0.00 37.83 33.37 1e9j s LYS 51 CO 0.16 -0.71 1.02 -0.80 -0.92 0.00 0.00 175.35 174.10 1e9j s ASN 52 N 1.78 0.02 0.24 2.83 0.02 -1.26 -5.18 114.94 113.38 1e9j s ASN 52 Ca 0.12 -0.73 0.11 0.00 -1.02 0.00 0.00 52.86 51.34 1e9j s ASN 52 Cb -0.17 0.53 -0.05 0.00 0.02 0.00 0.00 41.25 41.59 1e9j s ASN 52 CO 0.13 -1.06 -0.15 0.54 0.02 0.00 0.00 177.10 176.59 1e9j s VAL 53 N -2.10 2.80 0.00 1.60 0.11 -1.26 -4.92 120.40 116.63 1e9j s VAL 53 Ca 0.22 -2.08 0.00 0.00 -2.93 0.00 0.00 61.98 57.19 1e9j s VAL 53 Cb -0.03 -2.43 0.00 0.00 -1.53 0.00 0.00 36.38 32.39 1e9j s VAL 53 CO 0.06 -0.28 0.00 0.41 -3.33 0.00 0.00 175.10 171.96 1e9j n THR 54 N -0.37 -0.10 -3.48 5.04 -1.04 -1.26 -4.83 114.28 108.23 1e9j n THR 54 Ca -0.08 0.02 -0.43 0.00 -2.04 0.00 0.00 64.05 61.52 1e9j n THR 54 Cb 0.58 -0.17 -0.08 0.00 -1.82 0.00 0.00 70.33 68.83 1e9j n THR 54 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1e9j s SER 55 N -0.04 5.91 0.05 8.00 1.04 -1.26 -4.85 113.70 122.55 1e9j s SER 55 Ca 0.00 -1.46 0.00 0.00 0.48 0.00 0.00 55.95 54.97 1e9j s SER 55 Cb 0.00 -2.09 0.00 0.00 0.10 0.00 0.00 66.02 64.03 1e9j s SER 55 CO 0.00 -0.61 0.00 1.21 0.98 0.00 0.00 173.24 174.82 1e9j n GLU 56 N 5.07 0.00 -1.29 4.02 4.07 -1.26 -4.83 120.64 126.41 1e9j n GLU 56 Ca -0.11 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.99 1e9j n GLU 56 Cb 0.43 -0.10 0.00 0.00 -0.06 0.00 0.00 31.44 31.71 1e9j n GLU 56 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 1e9j n SER 57 N -2.80 1.69 -3.59 4.31 3.41 -1.26 -4.55 113.62 110.83 1e9j n SER 57 Ca 0.00 -0.65 -0.06 0.00 -0.26 0.00 0.00 58.87 57.90 1e9j n SER 57 Cb 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 1e9j n SER 57 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1e9j s THR 58 N -0.51 0.00 -0.29 6.66 2.01 -1.26 -4.67 115.64 117.59 1e9j s THR 58 Ca 0.00 -0.18 -0.16 0.00 0.31 0.00 0.00 61.69 61.66 1e9j s THR 58 Cb 0.00 -1.33 0.12 0.00 0.01 0.00 0.00 72.50 71.30 1e9j s THR 58 CO 0.00 0.00 0.85 0.00 -0.69 0.00 0.00 174.62 174.78 1e9j n VAL 61 N 1.78 0.70 0.00 0.00 3.14 -1.02 -4.88 118.33 118.06 1e9j n VAL 61 Ca -0.02 -4.63 0.00 0.00 -2.96 0.00 0.00 64.34 56.73 1e9j n VAL 61 Cb 0.48 -1.69 0.00 0.00 -1.06 0.00 0.00 33.84 31.56 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 0.90 -0.78 -0.07 1.55 0.00 -1.25 -4.57 120.51 116.29 1e9j n ALA 62 Ca 0.25 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.81 1e9j n ALA 62 Cb 0.50 0.00 0.51 0.00 0.00 0.00 0.00 19.45 20.46 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 1.98 0.38 -2.73 0.00 3.64 0.64 -3.39 116.57 117.09 1e9j h LYS 63 Ca 0.00 -0.02 -0.20 0.00 -1.27 0.00 0.00 60.65 59.15 1e9j h LYS 63 Cb 0.00 -0.09 -0.32 0.00 -0.41 0.00 0.00 32.23 31.42 1e9j h LYS 63 CO 0.00 0.25 -0.51 -1.12 -2.27 0.00 0.00 179.45 175.80 1e9j s SER 64 N -6.27 0.34 0.23 4.20 0.01 -0.89 -4.90 113.70 106.43 1e9j s SER 64 Ca -0.08 0.57 0.06 0.00 1.31 0.00 0.00 55.95 57.81 1e9j s SER 64 Cb 0.20 0.79 -0.03 0.00 0.21 0.00 0.00 66.02 67.18 1e9j s SER 64 CO 0.75 -0.25 0.27 -0.72 0.41 0.00 0.00 173.24 173.70 1e9j s TYR 65 N 2.45 3.29 -0.14 2.43 1.13 -1.25 0.30 117.35 125.55 1e9j s TYR 65 Ca 0.02 -0.04 0.15 0.00 -1.41 0.00 0.00 57.07 55.78 1e9j s TYR 65 Cb -0.12 -1.51 0.38 0.00 -1.10 0.00 0.00 41.96 39.61 1e9j s TYR 65 CO -0.10 0.49 1.19 0.09 -2.51 0.00 0.00 175.55 174.70 1e9j n ASN 66 N -1.15 1.55 0.00 -0.18 4.13 0.24 -4.74 115.26 115.10 1e9j n ASN 66 Ca -0.08 -3.25 0.00 0.00 1.68 0.00 0.00 54.58 52.93 1e9j n ASN 66 Cb 0.57 -0.44 0.00 0.00 -1.54 0.00 0.00 39.78 38.36 1e9j n ASN 66 CO 0.00 0.00 0.00 -1.14 0.28 0.00 0.00 177.26 176.40 1e9j n ARG 67 N -0.74 0.00 -2.52 3.52 0.63 -1.23 -3.98 116.66 112.34 1e9j n ARG 67 Ca 0.15 0.00 -0.12 0.00 -0.92 0.00 0.00 57.85 56.95 1e9j n ARG 67 Cb 0.79 0.00 0.03 0.00 0.45 0.00 0.00 32.46 33.73 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 0.00 5.15 0.24 -1.26 -4.66 118.33 119.54 1e9j n VAL 68 Ca 0.00 -3.59 0.00 0.00 -2.04 0.00 0.00 64.34 58.71 1e9j n VAL 68 Cb 0.00 0.13 0.00 0.00 -1.47 0.00 0.00 33.84 32.50 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 -0.52 0.00 -4.26 3.34 -1.04 -1.25 -4.81 114.28 105.73 1e9j n THR 69 Ca 0.23 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 62.11 1e9j n THR 69 Cb 0.84 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 69.31 1e9j n THR 69 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 1e9j n VAL 70 N 0.00 0.00 -0.11 12.58 0.24 -1.19 -4.81 118.33 125.05 1e9j n VAL 70 Ca 0.00 -1.11 0.00 0.00 -2.04 0.00 0.00 64.34 61.19 1e9j n VAL 70 Cb 0.00 0.36 0.00 0.00 -1.47 0.00 0.00 33.84 32.73 1e9j n VAL 70 CO 0.00 0.00 0.00 0.23 -2.14 0.00 0.00 176.83 174.92 1e9j n MET 71 N -0.46 0.00 -0.13 7.34 2.81 -1.26 0.16 117.12 125.58 1e9j n MET 71 Ca -0.04 0.00 0.01 0.00 -1.81 0.00 0.00 57.70 55.86 1e9j n MET 71 Cb 0.29 0.00 0.05 0.00 -0.71 0.00 0.00 33.22 32.85 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 1.73 0.00 3.03 0.00 -1.26 -4.64 105.19 104.05 1e9j n GLY 72 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 0.09 1.84 2.00 -0.02 0.00 0.12 -5.13 105.19 104.10 1e9j n GLY 73 Ca 0.04 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.43 -3.01 -3.15 1.61 3.01 0.43 -4.69 117.46 111.22 1e9j n PHE 74 Ca 0.00 -0.46 0.04 0.00 1.01 0.00 0.00 57.45 58.04 1e9j n PHE 74 Cb 0.00 -0.80 -0.00 0.00 -0.01 0.00 0.00 39.48 38.67 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 -4.14 0.53 -0.03 -1.08 3.01 -1.26 -3.15 119.74 113.63 1e9j s LYS 75 Ca 0.40 0.48 0.10 0.00 -1.01 0.00 0.00 55.97 55.94 1e9j s LYS 75 Cb -0.07 0.23 0.36 0.00 -1.01 0.00 0.00 37.83 37.33 1e9j s LYS 75 CO 0.34 -0.98 1.24 1.33 0.51 0.00 0.00 175.35 177.78 1e9j n VAL 76 N 5.34 0.75 -2.69 3.17 0.24 -1.26 -4.84 118.33 119.04 1e9j n VAL 76 Ca 0.06 -0.56 -0.16 0.00 -2.04 0.00 0.00 64.34 61.63 1e9j n VAL 76 Cb 0.54 0.08 -0.03 0.00 -1.47 0.00 0.00 33.84 32.96 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 0.53 -0.89 0.00 7.34 0.00 -1.26 -1.66 120.64 124.69 1e9j n GLU 77 Ca 0.13 0.05 0.00 0.00 0.00 0.00 0.00 57.16 57.34 1e9j n GLU 77 Cb 0.43 -1.78 0.00 0.00 0.00 0.00 0.00 31.44 30.09 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 -0.46 0.00 -4.49 -1.84 5.15 -1.26 -0.87 115.26 111.50 1e9j n ASN 78 Ca 0.04 0.00 -0.64 0.00 -0.60 0.00 0.00 54.58 53.38 1e9j n ASN 78 Cb 0.18 0.00 -0.09 0.00 -0.53 0.00 0.00 39.78 39.33 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 1.58 0.10 1.20 8.25 -0.66 0.79 115.22 126.48 1e9j n HIS 79 Ca 0.00 1.08 0.06 0.00 -0.26 0.00 0.00 57.72 58.61 1e9j n HIS 79 Cb 0.00 -2.10 -0.09 0.00 1.12 0.00 0.00 29.99 28.91 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 3.60 0.00 -3.58 1.59 -2.24 0.86 -4.81 114.28 109.70 1e9j n THR 80 Ca 0.29 -0.27 -0.16 0.00 -2.27 0.00 0.00 64.05 61.63 1e9j n THR 80 Cb -0.05 0.35 -0.07 0.00 -2.10 0.00 0.00 70.33 68.47 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 -2.75 -1.62 -0.01 6.98 0.00 0.19 -4.83 121.76 119.72 1e9j s ALA 81 Ca -0.03 1.35 0.02 0.00 0.00 0.00 0.00 51.96 53.31 1e9j s ALA 81 Cb 0.08 -0.29 -0.00 0.00 0.00 0.00 0.00 23.12 22.91 1e9j s ALA 81 CO 0.52 -0.34 -0.08 0.00 0.00 0.00 0.00 175.76 175.86 1e9j s HIS 83 N -0.12 0.67 0.30 0.00 -3.43 -1.26 -4.57 115.29 106.88 1e9j s HIS 83 Ca 0.02 -0.55 -0.29 0.00 -0.80 0.00 0.00 55.06 53.44 1e9j s HIS 83 Cb -0.04 -0.87 -0.10 0.00 -1.43 0.00 0.00 32.58 30.14 1e9j s HIS 83 CO -0.00 -0.53 1.45 0.00 -2.00 0.00 0.00 174.74 173.66 1e9j s SER 85 N 0.12 -0.16 0.21 0.00 0.01 0.41 -4.75 113.70 109.54 1e9j s SER 85 Ca 0.57 -0.45 -0.11 0.00 1.31 0.00 0.00 55.95 57.27 1e9j s SER 85 Cb -0.43 0.50 -0.08 0.00 0.21 0.00 0.00 66.02 66.22 1e9j s SER 85 CO 0.49 -0.94 0.05 0.35 0.41 0.00 0.00 173.24 173.61 1e9j n THR 86 N -0.49 0.37 -3.74 1.44 -2.24 -1.26 0.24 114.28 108.60 1e9j n THR 86 Ca -0.06 -0.27 -0.25 0.00 -2.27 0.00 0.00 64.05 61.21 1e9j n THR 86 Cb 0.61 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.84 1e9j n THR 86 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1e9j s TYR 88 N -2.74 -1.29 -0.18 0.00 1.51 -1.26 -5.05 117.35 108.33 1e9j s TYR 88 Ca 0.39 0.14 -0.01 0.00 -1.01 0.00 0.00 57.07 56.58 1e9j s TYR 88 Cb -0.03 0.24 0.00 0.00 -0.11 0.00 0.00 41.96 42.06 1e9j s TYR 88 CO 0.24 -0.89 0.03 0.66 -1.11 0.00 0.00 175.55 174.48 1e9j n TYR 89 N 4.07 -2.26 0.00 2.71 4.01 -1.26 -4.99 117.16 119.43 1e9j n TYR 89 Ca 0.10 1.00 0.00 0.00 -0.16 0.00 0.00 57.90 58.84 1e9j n TYR 89 Cb 0.59 -2.69 0.00 0.00 -0.31 0.00 0.00 39.34 36.93 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 0.92 0.00 -1.44 -0.72 8.25 -1.26 -5.10 115.22 115.87 1e9j n HIS 90 Ca 0.00 0.00 -0.46 0.00 -0.26 0.00 0.00 57.72 57.00 1e9j n HIS 90 Cb 0.24 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.24 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 0.00 0.34 0.00 -0.41 4.76 -1.26 -5.14 118.16 116.44 1e9j n LYS 91 Ca 0.00 0.05 0.00 0.00 -2.87 0.00 0.00 58.31 55.49 1e9j n LYS 91 Cb 0.00 -1.95 0.00 0.00 -1.84 0.00 0.00 35.03 31.24 1e9j n LYS 91 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90