#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1khm n SER 2 N 0.00 -6.72 -4.56 1.61 7.64 -1.26 -4.78 113.62 105.55 1khm n SER 2 Ca 0.00 -0.31 -0.39 0.00 1.01 0.00 0.00 58.87 59.18 1khm n SER 2 Cb 0.00 -3.92 -0.03 0.00 -1.01 0.00 0.00 64.21 59.25 1khm n SER 2 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 1khm s PRO 3 N -3.57 2.66 -0.46 1.43 0.02 -1.26 -4.82 135.00 129.00 1khm s PRO 3 Ca 0.05 1.14 0.02 0.00 0.02 0.00 0.00 61.00 62.23 1khm s PRO 3 Cb -0.01 -4.41 0.20 0.00 0.02 0.00 0.00 34.50 30.30 1khm s PRO 3 CO 0.81 -2.66 0.86 -1.71 -0.33 0.00 0.00 177.00 173.96 1khm n ASN 4 N 13.11 -2.77 -3.43 2.53 2.85 -1.26 -5.00 115.26 121.28 1khm n ASN 4 Ca 0.27 -2.24 -0.14 0.00 -0.11 0.00 0.00 54.58 52.35 1khm n ASN 4 Cb 0.51 1.40 0.01 0.00 1.24 0.00 0.00 39.78 42.95 1khm n ASN 4 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1khm n SER 5 N 2.81 -6.33 -3.19 1.20 7.64 -1.26 -4.93 113.62 109.56 1khm n SER 5 Ca 0.16 -0.56 -0.21 0.00 1.01 0.00 0.00 58.87 59.26 1khm n SER 5 Cb 0.59 -3.71 0.19 0.00 -1.01 0.00 0.00 64.21 60.27 1khm n SER 5 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1khm n TYR 6 N -2.51 -3.43 -0.76 1.43 9.36 -1.26 -3.46 117.16 116.53 1khm n TYR 6 Ca -0.13 -0.63 0.00 0.00 3.32 0.00 0.00 57.90 60.46 1khm n TYR 6 Cb 0.59 -0.84 0.00 0.00 -0.63 0.00 0.00 39.34 38.46 1khm n TYR 6 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1khm n GLY 7 N -3.41 0.48 3.04 2.98 0.00 -1.26 -3.99 105.19 103.02 1khm n GLY 7 Ca 0.10 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.97 1khm n GLY 7 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1khm n ASP 8 N -0.03 -7.19 -3.90 1.61 9.92 -1.22 0.18 116.55 115.92 1khm n ASP 8 Ca 0.00 0.48 -0.37 0.00 -0.53 0.00 0.00 54.79 54.37 1khm n ASP 8 Cb 0.01 -4.05 0.02 0.00 -0.64 0.00 0.00 41.12 36.46 1khm n ASP 8 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1khm n LEU 9 N 0.03 -1.68 -2.13 0.64 4.77 -1.26 0.16 117.00 117.53 1khm n LEU 9 Ca 0.03 -1.14 -0.12 0.00 -0.03 0.00 0.00 56.01 54.75 1khm n LEU 9 Cb 0.45 -2.03 -0.02 0.00 -2.33 0.00 0.00 43.42 39.49 1khm n LEU 9 CO 0.46 0.60 -0.14 0.61 -1.33 0.00 0.00 177.39 177.58 1khm n GLY 10 N -1.93 -0.02 0.00 -0.72 0.00 -1.21 -4.47 105.19 96.83 1khm n GLY 10 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1khm n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1khm n GLY 11 N -0.63 -2.40 3.61 -0.02 0.00 0.48 -4.79 105.19 101.43 1khm n GLY 11 Ca -0.14 -1.47 -0.29 0.00 0.00 0.00 0.00 46.02 44.12 1khm n GLY 11 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1khm s PRO 12 N -2.68 0.21 0.24 1.61 0.04 -1.26 -4.97 135.00 128.20 1khm s PRO 12 Ca 0.00 0.92 -0.26 0.00 0.04 0.00 0.00 61.00 61.70 1khm s PRO 12 Cb 0.00 -1.68 -0.09 0.00 0.04 0.00 0.00 34.50 32.77 1khm s PRO 12 CO 0.00 -2.99 0.86 0.42 0.04 0.00 0.00 177.00 175.34 1khm s ILE 13 N -2.70 4.26 0.10 0.56 -1.09 -1.26 -4.77 121.20 116.30 1khm s ILE 13 Ca 0.66 1.79 0.08 0.00 -2.23 0.00 0.00 60.65 60.96 1khm s ILE 13 Cb -0.22 -4.12 -0.03 0.00 -1.58 0.00 0.00 42.46 36.51 1khm s ILE 13 CO 0.60 0.36 -0.21 -0.63 -1.23 0.00 0.00 174.94 173.84 1khm s ILE 14 N -1.35 1.71 0.01 2.92 1.01 -1.19 -5.01 121.20 119.30 1khm s ILE 14 Ca 0.42 -1.53 0.05 0.00 0.00 0.00 0.00 60.65 59.59 1khm s ILE 14 Cb -0.22 -1.55 -0.02 0.00 0.01 0.00 0.00 42.46 40.68 1khm s ILE 14 CO 0.26 -0.05 -0.15 0.28 0.00 0.00 0.00 174.94 175.29 1khm s THR 15 N -1.15 1.15 -0.02 2.92 -1.32 -1.26 -3.15 115.64 112.81 1khm s THR 15 Ca 0.06 -0.77 -0.04 0.00 -1.21 0.00 0.00 61.69 59.73 1khm s THR 15 Cb -0.10 -0.99 0.00 0.00 -1.51 0.00 0.00 72.50 69.90 1khm s THR 15 CO 0.04 0.21 0.10 0.28 -2.21 0.00 0.00 174.62 173.04 1khm s THR 16 N -0.52 0.04 0.03 5.08 -1.32 -1.05 -5.00 115.64 112.90 1khm s THR 16 Ca 0.04 -0.35 0.04 0.00 -1.21 0.00 0.00 61.69 60.21 1khm s THR 16 Cb -0.06 -0.26 -0.04 0.00 -1.51 0.00 0.00 72.50 70.63 1khm s THR 16 CO 0.00 -0.19 -0.05 -1.10 -2.21 0.00 0.00 174.62 171.06 1khm s GLN 17 N -0.62 2.52 0.09 7.08 -0.21 -1.26 -1.28 119.66 125.98 1khm s GLN 17 Ca -0.07 -0.77 0.08 0.00 0.02 0.00 0.00 55.36 54.62 1khm s GLN 17 Cb -0.04 -2.50 -0.03 0.00 1.00 0.00 0.00 33.01 31.43 1khm s GLN 17 CO 0.00 0.58 -0.21 0.08 -2.12 0.00 0.00 175.29 173.63 1khm s VAL 18 N -1.09 1.68 -0.10 1.09 1.01 0.82 -4.95 120.40 118.87 1khm s VAL 18 Ca 0.19 -1.44 0.04 0.00 0.00 0.00 0.00 61.98 60.77 1khm s VAL 18 Cb -0.11 -1.51 0.00 0.00 0.00 0.00 0.00 36.38 34.76 1khm s VAL 18 CO 0.10 0.01 -0.21 -0.89 0.00 0.00 0.00 175.10 174.11 1khm s THR 19 N -1.06 1.87 -0.04 3.92 2.01 -1.26 -0.57 115.64 120.51 1khm s THR 19 Ca 0.06 -0.91 0.04 0.00 0.31 0.00 0.00 61.69 61.20 1khm s THR 19 Cb -0.10 -1.63 -0.00 0.00 0.01 0.00 0.00 72.50 70.78 1khm s THR 19 CO 0.03 0.52 -0.15 0.27 -0.69 0.00 0.00 174.62 174.60 1khm s ILE 20 N 0.44 1.30 0.29 1.82 -4.36 -0.15 -4.98 121.20 115.56 1khm s ILE 20 Ca -0.17 -0.64 -0.30 0.00 -0.26 0.00 0.00 60.65 59.28 1khm s ILE 20 Cb -0.17 -1.12 -0.12 0.00 1.25 0.00 0.00 42.46 42.29 1khm s ILE 20 CO 0.07 0.38 1.45 -2.65 0.24 0.00 0.00 174.94 174.43 1khm n PRO 21 N 3.19 2.33 -0.33 0.37 -0.02 -1.26 -1.36 135.00 137.92 1khm n PRO 21 Ca -0.18 0.82 0.24 0.00 -2.02 0.00 0.00 63.50 62.36 1khm n PRO 21 Cb 0.53 -2.51 0.46 0.00 -0.02 0.00 0.00 33.50 31.96 1khm n PRO 21 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1khm h LYS 22 N 3.86 0.18 -0.33 -0.52 3.64 -1.65 0.58 116.57 122.33 1khm h LYS 22 Ca -0.46 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 58.89 1khm h LYS 22 Cb 1.26 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 33.02 1khm h LYS 22 CO 0.72 0.12 0.16 0.22 -2.27 0.00 0.00 179.45 178.41 1khm h ASP 23 N 0.19 0.43 1.19 4.20 1.82 -1.88 -2.13 116.42 120.23 1khm h ASP 23 Ca 0.73 -0.12 -0.09 0.00 -0.39 0.00 0.00 57.03 57.15 1khm h ASP 23 Cb 1.71 -0.11 -0.01 0.00 0.68 0.00 0.00 39.33 41.59 1khm h ASP 23 CO -0.69 0.43 -0.45 -0.07 -1.61 0.00 0.00 179.24 176.85 1khm h LEU 24 N 0.40 0.00 -1.15 2.28 4.07 -1.28 -3.08 115.31 116.55 1khm h LEU 24 Ca 0.11 0.00 0.01 0.00 0.08 0.00 0.00 57.88 58.09 1khm h LEU 24 Cb 0.11 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 41.80 1khm h LEU 24 CO -0.02 0.45 0.58 0.00 -1.08 0.00 0.00 178.44 178.37 1khm h ALA 25 N 1.55 1.39 0.00 1.53 0.00 0.68 0.06 119.26 124.47 1khm h ALA 25 Ca -0.00 -0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.70 1khm h ALA 25 Cb 1.16 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1khm h ALA 25 CO 0.06 0.56 -0.69 0.00 0.00 0.00 0.00 179.25 179.17 1khm h ARG 26 N 1.16 0.00 -0.01 0.00 3.08 -1.33 -1.00 114.38 116.29 1khm h ARG 26 Ca 0.32 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.24 1khm h ARG 26 Cb -0.11 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 29.92 1khm h ARG 26 CO -0.07 0.69 -0.60 0.66 -1.07 0.00 0.00 179.97 179.57 1khm h SER 27 N 0.00 0.02 0.11 7.04 4.64 -1.15 -2.57 113.55 121.64 1khm h SER 27 Ca -0.01 -0.01 -0.29 0.00 -0.47 0.00 0.00 61.79 61.01 1khm h SER 27 Cb 1.27 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.35 1khm h SER 27 CO 0.09 0.62 -1.48 0.40 -0.87 0.00 0.00 176.83 175.59 1khm h ILE 28 N 0.02 0.96 -0.33 0.95 2.04 -0.86 -3.36 117.51 116.92 1khm h ILE 28 Ca -0.01 -2.37 -0.09 0.00 1.00 0.00 0.00 64.86 63.39 1khm h ILE 28 Cb 1.07 2.64 -0.02 0.00 -0.74 0.00 0.00 36.82 39.78 1khm h ILE 28 CO 0.08 0.70 -0.17 0.40 0.00 0.00 0.00 178.15 179.16 1khm h ILE 29 N -0.31 1.25 0.00 -0.67 2.04 -1.27 -3.40 117.51 115.15 1khm h ILE 29 Ca -0.33 -1.17 0.00 0.00 1.00 0.00 0.00 64.86 64.36 1khm h ILE 29 Cb 1.76 1.19 0.00 0.00 -0.74 0.00 0.00 36.82 39.03 1khm h ILE 29 CO 0.04 0.39 0.00 0.61 0.00 0.00 0.00 178.15 179.18 1khm n GLY 30 N -0.46 -2.62 0.37 5.37 0.00 -0.97 -2.15 105.19 104.73 1khm n GLY 30 Ca 0.00 -1.76 0.13 0.00 0.00 0.00 0.00 46.02 44.39 1khm n GLY 30 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1khm n LYS 31 N -0.29 1.17 -0.44 1.61 5.02 -1.26 -4.22 118.16 119.76 1khm n LYS 31 Ca 0.00 -0.74 0.00 0.00 -2.02 0.00 0.00 58.31 55.55 1khm n LYS 31 Cb 0.00 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.53 1khm n LYS 31 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1khm n GLY 32 N 1.30 0.53 3.70 0.72 0.00 -1.26 -4.96 105.19 105.22 1khm n GLY 32 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1khm n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1khm n GLY 33 N 0.00 2.00 0.52 -0.02 0.00 -0.91 -4.79 105.19 101.98 1khm n GLY 33 Ca 0.00 0.00 0.34 0.00 0.00 0.00 0.00 46.02 46.36 1khm n GLY 33 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1khm n GLN 34 N -1.99 0.01 0.04 1.61 1.13 -1.26 0.21 117.38 117.13 1khm n GLN 34 Ca 0.00 0.86 -0.16 0.00 -1.94 0.00 0.00 57.00 55.76 1khm n GLN 34 Cb 0.00 -2.06 -0.14 0.00 0.11 0.00 0.00 30.24 28.15 1khm n GLN 34 CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 1khm h ARG 35 N 0.00 0.22 0.00 -1.09 9.65 -1.82 -3.09 114.38 118.24 1khm h ARG 35 Ca 0.60 -0.38 -0.14 0.00 -1.10 0.00 0.00 59.98 58.97 1khm h ARG 35 Cb 2.78 0.14 -0.02 0.00 -1.39 0.00 0.00 29.97 31.48 1khm h ARG 35 CO -0.01 1.05 -0.65 0.82 2.80 0.00 0.00 179.97 183.99 1khm h ILE 36 N 0.06 1.27 -0.03 1.20 1.08 0.22 -2.97 117.51 118.35 1khm h ILE 36 Ca -0.28 -2.39 -0.03 0.00 -0.39 0.00 0.00 64.86 61.78 1khm h ILE 36 Cb 2.02 2.36 0.00 0.00 -3.07 0.00 0.00 36.82 38.13 1khm h ILE 36 CO 0.14 0.64 -0.08 0.11 -0.69 0.00 0.00 178.15 178.27 1khm h LYS 37 N 0.00 0.10 -0.77 2.37 1.57 -1.24 -2.88 116.57 115.72 1khm h LYS 37 Ca -0.01 -0.07 0.05 0.00 -1.87 0.00 0.00 60.65 58.75 1khm h LYS 37 Cb 1.31 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 33.58 1khm h LYS 37 CO 0.08 0.70 0.47 1.96 -0.57 0.00 0.00 179.45 182.10 1khm h GLN 38 N -0.48 0.85 -0.24 3.15 1.08 -1.59 -1.24 115.11 116.63 1khm h GLN 38 Ca -0.00 -0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 57.12 1khm h GLN 38 Cb 0.71 -0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 27.94 1khm h GLN 38 CO 0.02 0.56 0.04 0.82 -0.95 0.00 0.00 178.83 179.32 1khm h ILE 39 N 0.87 1.13 -0.03 2.54 2.04 -1.55 -0.26 117.51 122.25 1khm h ILE 39 Ca 0.33 -0.46 -0.00 0.00 1.00 0.00 0.00 64.86 65.73 1khm h ILE 39 Cb 0.14 0.90 -0.00 0.00 -0.74 0.00 0.00 36.82 37.12 1khm h ILE 39 CO -0.16 0.16 0.00 0.03 0.00 0.00 0.00 178.15 178.18 1khm h ARG 40 N 0.34 0.06 -0.06 2.37 3.08 -1.00 0.26 114.38 119.42 1khm h ARG 40 Ca 0.08 -0.02 -0.14 0.00 0.07 0.00 0.00 59.98 59.98 1khm h ARG 40 Cb 0.16 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 1khm h ARG 40 CO -0.00 0.33 -0.57 0.45 -1.07 0.00 0.00 179.97 179.11 1khm h HIS 41 N -0.22 0.25 0.03 3.04 3.86 -1.25 0.37 115.15 121.24 1khm h HIS 41 Ca 0.01 -0.09 -0.20 0.00 -1.16 0.00 0.00 60.37 58.93 1khm h HIS 41 Cb 0.30 -0.05 0.02 0.00 1.06 0.00 0.00 27.41 28.74 1khm h HIS 41 CO 0.02 0.72 -0.81 1.49 0.86 0.00 0.00 177.93 180.22 1khm h GLU 42 N 0.15 0.50 0.00 2.45 4.57 -0.96 -3.31 114.58 117.98 1khm h GLU 42 Ca -0.00 -0.58 -0.10 0.00 -1.18 0.00 0.00 59.36 57.50 1khm h GLU 42 Cb 1.05 0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 29.79 1khm h GLU 42 CO 0.09 1.21 -0.96 0.66 -1.18 0.00 0.00 179.01 178.83 1khm h SER 43 N 0.05 0.00 0.00 1.04 4.64 -0.50 -3.47 113.55 115.31 1khm h SER 43 Ca -0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 1khm h SER 43 Cb 1.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.60 1khm h SER 43 CO 0.16 0.37 0.00 0.61 -0.87 0.00 0.00 176.83 177.10 1khm n GLY 44 N 1.28 0.85 3.90 -0.77 0.00 0.13 -4.80 105.19 105.77 1khm n GLY 44 Ca -0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.71 1khm n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1khm s ALA 45 N -3.51 3.27 -0.07 4.61 0.00 -1.22 -5.00 121.76 119.84 1khm s ALA 45 Ca 0.00 -0.43 -0.00 0.00 0.00 0.00 0.00 51.96 51.53 1khm s ALA 45 Cb 0.00 -2.74 -0.03 0.00 0.00 0.00 0.00 23.12 20.34 1khm s ALA 45 CO 0.00 -0.59 -0.04 0.45 0.00 0.00 0.00 175.76 175.58 1khm s SER 46 N -4.19 4.91 -0.01 0.00 0.15 -0.94 -4.64 113.70 108.98 1khm s SER 46 Ca 0.51 0.04 0.01 0.00 0.70 0.00 0.00 55.95 57.21 1khm s SER 46 Cb -0.11 -1.29 0.00 0.00 -1.71 0.00 0.00 66.02 62.91 1khm s SER 46 CO 0.48 0.36 -0.02 -0.63 1.20 0.00 0.00 173.24 174.63 1khm s ILE 47 N -0.87 0.21 -0.09 6.45 1.01 -1.26 -1.42 121.20 125.22 1khm s ILE 47 Ca 0.13 -0.07 0.03 0.00 0.00 0.00 0.00 60.65 60.75 1khm s ILE 47 Cb -0.11 -0.20 0.01 0.00 0.01 0.00 0.00 42.46 42.16 1khm s ILE 47 CO 0.03 0.08 -0.20 -0.75 0.00 0.00 0.00 174.94 174.10 1khm s LYS 48 N 0.17 2.61 -0.15 2.79 2.20 -0.74 -4.99 119.74 121.64 1khm s LYS 48 Ca -0.01 -0.73 -0.08 0.00 -0.36 0.00 0.00 55.97 54.79 1khm s LYS 48 Cb -0.04 -2.03 -0.04 0.00 -1.51 0.00 0.00 37.83 34.21 1khm s LYS 48 CO -0.00 0.11 0.13 0.42 -0.36 0.00 0.00 175.35 175.64 1khm s ILE 49 N 0.50 5.40 0.18 5.43 1.01 -1.26 -1.53 121.20 130.93 1khm s ILE 49 Ca -0.16 0.18 -0.04 0.00 0.00 0.00 0.00 60.65 60.62 1khm s ILE 49 Cb -0.17 -3.40 -0.05 0.00 0.01 0.00 0.00 42.46 38.84 1khm s ILE 49 CO 0.06 0.54 0.42 -1.81 0.00 0.00 0.00 174.94 174.15 1khm s ASP 50 N -0.39 6.47 0.68 3.58 1.11 -1.17 -5.02 116.67 121.93 1khm s ASP 50 Ca 0.12 0.59 -0.15 0.00 0.18 0.00 0.00 52.55 53.28 1khm s ASP 50 Cb -0.12 -2.09 0.01 0.00 1.07 0.00 0.00 42.92 41.80 1khm s ASP 50 CO 0.01 -0.01 1.15 -1.61 1.18 0.00 0.00 175.17 175.89 1khm s GLU 51 N -2.94 2.57 0.40 8.23 2.02 -1.26 -4.49 118.70 123.22 1khm s GLU 51 Ca 0.41 1.54 -0.27 0.00 0.02 0.00 0.00 54.97 56.68 1khm s GLU 51 Cb -0.12 -1.91 -0.09 0.00 0.10 0.00 0.00 34.13 32.12 1khm s GLU 51 CO 0.26 -1.46 1.34 -1.25 0.02 0.00 0.00 175.26 174.17 1khm s PRO 52 N -3.98 4.00 -0.26 0.39 0.04 -1.26 -4.86 135.00 129.07 1khm s PRO 52 Ca 0.70 2.24 -0.29 0.00 0.04 0.00 0.00 61.00 63.69 1khm s PRO 52 Cb -0.24 -2.81 0.01 0.00 0.04 0.00 0.00 34.50 31.50 1khm s PRO 52 CO 0.42 -0.49 1.05 -0.51 0.04 0.00 0.00 177.00 177.51 1khm s LEU 53 N -2.34 4.05 -0.18 -3.56 1.43 -1.26 -4.95 118.68 111.87 1khm s LEU 53 Ca 0.56 1.29 -0.32 0.00 -1.03 0.00 0.00 54.13 54.62 1khm s LEU 53 Cb -0.40 -3.54 -0.10 0.00 0.03 0.00 0.00 46.19 42.18 1khm s LEU 53 CO 0.52 -0.73 2.07 -0.62 0.23 0.00 0.00 176.35 177.81 1khm n GLU 54 N 6.49 1.89 0.00 1.70 1.02 -1.26 -1.95 120.64 128.52 1khm n GLU 54 Ca 0.12 0.61 0.00 0.00 -0.02 0.00 0.00 57.16 57.87 1khm n GLU 54 Cb 0.46 -2.80 0.00 0.00 -0.02 0.00 0.00 31.44 29.09 1khm n GLU 54 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1khm n GLY 55 N 5.35 1.37 0.09 0.62 0.00 -1.26 -5.12 105.19 106.25 1khm n GLY 55 Ca 0.29 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.30 1khm n GLY 55 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1khm n SER 56 N 0.00 1.78 -2.53 1.61 2.88 -0.82 -5.08 113.62 111.45 1khm n SER 56 Ca 0.00 -1.06 0.01 0.00 -1.33 0.00 0.00 58.87 56.49 1khm n SER 56 Cb 0.00 0.01 0.05 0.00 -0.75 0.00 0.00 64.21 63.52 1khm n SER 56 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1khm n GLU 57 N -0.03 1.34 -4.34 -1.46 1.02 -1.26 -4.91 120.64 111.00 1khm n GLU 57 Ca -0.00 -3.04 -0.20 0.00 -0.02 0.00 0.00 57.16 53.90 1khm n GLU 57 Cb 0.02 -1.14 -0.11 0.00 -0.02 0.00 0.00 31.44 30.19 1khm n GLU 57 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1khm s ASP 58 N -3.25 2.65 -0.05 1.62 1.11 -1.26 -1.76 116.67 115.73 1khm s ASP 58 Ca 0.27 -0.94 0.05 0.00 0.18 0.00 0.00 52.55 52.11 1khm s ASP 58 Cb 0.34 -0.15 -0.02 0.00 1.07 0.00 0.00 42.92 44.16 1khm s ASP 58 CO -0.07 -0.10 -0.21 -0.13 1.18 0.00 0.00 175.17 175.84 1khm s ARG 59 N -3.24 2.49 0.20 8.23 1.81 -0.47 -4.54 118.95 123.43 1khm s ARG 59 Ca 0.19 -0.83 0.08 0.00 -1.72 0.00 0.00 55.73 53.45 1khm s ARG 59 Cb -0.03 -2.23 -0.04 0.00 -0.45 0.00 0.00 34.95 32.19 1khm s ARG 59 CO 0.07 0.49 0.02 0.42 -0.68 0.00 0.00 175.30 175.62 1khm s ILE 60 N -0.41 3.76 -0.00 1.52 1.01 -1.26 -0.97 121.20 124.84 1khm s ILE 60 Ca 0.04 -1.49 -0.01 0.00 0.00 0.00 0.00 60.65 59.19 1khm s ILE 60 Cb -0.12 -2.93 -0.00 0.00 0.01 0.00 0.00 42.46 39.42 1khm s ILE 60 CO 0.02 -0.17 0.02 -0.63 0.00 0.00 0.00 174.94 174.17 1khm s ILE 61 N -1.87 0.02 -0.17 2.92 1.01 0.27 -3.06 121.20 120.33 1khm s ILE 61 Ca 0.29 -0.20 -0.00 0.00 0.00 0.00 0.00 60.65 60.73 1khm s ILE 61 Cb -0.09 -0.10 0.00 0.00 0.01 0.00 0.00 42.46 42.28 1khm s ILE 61 CO 0.19 -0.11 -0.14 -0.89 0.00 0.00 0.00 174.94 173.99 1khm s THR 62 N -0.32 2.68 -0.16 2.92 2.01 -0.58 -0.13 115.64 122.07 1khm s THR 62 Ca -0.04 -0.75 -0.06 0.00 0.31 0.00 0.00 61.69 61.15 1khm s THR 62 Cb -0.02 -2.15 -0.04 0.00 0.01 0.00 0.00 72.50 70.30 1khm s THR 62 CO -0.00 0.51 0.06 -0.63 -0.69 0.00 0.00 174.62 173.86 1khm s ILE 63 N 0.97 4.75 -0.06 1.82 1.01 -0.40 -1.79 121.20 127.50 1khm s ILE 63 Ca -0.02 -0.06 0.02 0.00 0.00 0.00 0.00 60.65 60.59 1khm s ILE 63 Cb -0.15 -3.10 0.01 0.00 0.01 0.00 0.00 42.46 39.23 1khm s ILE 63 CO -0.02 0.50 -0.10 -0.89 0.00 0.00 0.00 174.94 174.43 1khm s THR 64 N -0.00 0.96 -4.39 2.92 2.01 -0.51 -2.54 115.64 114.10 1khm s THR 64 Ca 0.06 -0.38 0.00 0.00 0.31 0.00 0.00 61.69 61.67 1khm s THR 64 Cb -0.12 -0.90 0.00 0.00 0.01 0.00 0.00 72.50 71.49 1khm s THR 64 CO 0.01 0.32 0.00 0.61 -0.69 0.00 0.00 174.62 174.87 1khm n GLY 65 N 3.84 -1.81 3.79 4.40 0.00 -1.19 -2.22 105.19 112.00 1khm n GLY 65 Ca -0.23 -1.21 -0.31 0.00 0.00 0.00 0.00 46.02 44.26 1khm n GLY 65 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1khm s THR 66 N -2.67 3.67 0.25 2.61 -4.23 -1.26 -3.16 115.64 110.85 1khm s THR 66 Ca 0.00 0.56 -0.06 0.00 -1.18 0.00 0.00 61.69 61.01 1khm s THR 66 Cb 0.00 -3.17 0.27 0.00 1.34 0.00 0.00 72.50 70.94 1khm s THR 66 CO 0.00 -0.69 1.65 -0.61 -0.54 0.00 0.00 174.62 174.43 1khm h GLN 67 N -0.83 0.14 -0.14 3.99 -0.00 -1.86 0.17 115.11 116.58 1khm h GLN 67 Ca -0.44 -0.01 -0.04 0.00 -0.00 0.00 0.00 58.65 58.16 1khm h GLN 67 Cb 1.22 -0.03 -0.00 0.00 0.00 0.00 0.00 27.48 28.67 1khm h GLN 67 CO 0.54 0.09 -0.06 -0.44 0.00 0.00 0.00 178.83 178.97 1khm h ASP 68 N 0.15 0.30 -0.75 -0.69 5.19 -1.96 -0.74 116.42 117.92 1khm h ASP 68 Ca 0.42 -0.40 0.07 0.00 -0.62 0.00 0.00 57.03 56.50 1khm h ASP 68 Cb 0.75 -0.08 -0.05 0.00 0.18 0.00 0.00 39.33 40.13 1khm h ASP 68 CO -0.62 0.63 0.49 1.56 -3.12 0.00 0.00 179.24 178.18 1khm h GLN 69 N -0.04 0.75 -0.12 3.56 4.20 -1.49 -0.59 115.11 121.38 1khm h GLN 69 Ca 0.03 -0.05 -0.08 0.00 0.06 0.00 0.00 58.65 58.62 1khm h GLN 69 Cb 0.52 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.13 1khm h GLN 69 CO 0.02 0.50 -0.23 0.82 -0.67 0.00 0.00 178.83 179.27 1khm h ILE 70 N 0.77 1.38 -0.71 2.54 2.04 -0.53 -2.39 117.51 120.61 1khm h ILE 70 Ca 0.33 -1.49 0.00 0.00 1.00 0.00 0.00 64.86 64.70 1khm h ILE 70 Cb 0.28 2.04 -0.03 0.00 -0.74 0.00 0.00 36.82 38.37 1khm h ILE 70 CO -0.11 0.44 0.45 -0.61 0.00 0.00 0.00 178.15 178.31 1khm h GLN 71 N -0.04 0.95 -0.68 2.37 4.15 -0.51 0.22 115.11 121.57 1khm h GLN 71 Ca 0.01 -0.07 -0.03 0.00 0.77 0.00 0.00 58.65 59.33 1khm h GLN 71 Cb 0.81 -0.21 -0.03 0.00 0.21 0.00 0.00 27.48 28.26 1khm h GLN 71 CO 0.05 0.65 0.31 -0.91 -1.93 0.00 0.00 178.83 177.01 1khm h ASN 72 N 0.97 0.87 -0.15 -0.69 4.21 -1.13 -1.37 115.58 118.29 1khm h ASN 72 Ca 0.26 -0.10 -0.12 0.00 1.21 0.00 0.00 56.30 57.55 1khm h ASN 72 Cb -0.07 -0.22 0.00 0.00 -1.12 0.00 0.00 38.32 36.91 1khm h ASN 72 CO -0.05 0.75 -0.37 0.00 -1.29 0.00 0.00 177.43 176.47 1khm h ALA 73 N 1.39 0.25 -0.19 -0.83 0.00 -0.78 -2.78 119.26 116.30 1khm h ALA 73 Ca 0.23 -0.44 0.02 0.00 0.00 0.00 0.00 54.91 54.72 1khm h ALA 73 Cb 0.11 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1khm h ALA 73 CO -0.03 0.32 0.05 1.96 0.00 0.00 0.00 179.25 181.55 1khm h GLN 74 N 0.14 0.13 -0.93 0.00 4.20 -0.27 -1.50 115.11 116.88 1khm h GLN 74 Ca -0.00 -0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.72 1khm h GLN 74 Cb 0.97 -0.03 -0.05 0.00 0.30 0.00 0.00 27.48 28.68 1khm h GLN 74 CO 0.08 0.08 0.61 -0.92 -0.67 0.00 0.00 178.83 178.02 1khm h TYR 75 N 0.13 1.15 0.00 2.96 3.20 -1.30 0.81 116.97 123.93 1khm h TYR 75 Ca 0.09 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.98 1khm h TYR 75 Cb 0.07 -0.39 0.00 0.00 1.54 0.00 0.00 36.73 37.95 1khm h TYR 75 CO -0.13 0.71 0.00 -0.07 -1.64 0.00 0.00 178.16 177.03 1khm h LEU 76 N 1.23 0.00 0.08 2.82 3.38 -1.11 -1.58 115.31 120.13 1khm h LEU 76 Ca 0.35 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 58.12 1khm h LEU 76 Cb -0.10 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 1khm h LEU 76 CO -0.08 0.00 -1.02 -0.07 0.09 0.00 0.00 178.44 177.36 1khm h LEU 77 N 0.00 0.28 -1.00 1.67 3.38 0.09 -2.67 115.31 117.05 1khm h LEU 77 Ca 0.00 -0.85 -0.03 0.00 0.09 0.00 0.00 57.88 57.09 1khm h LEU 77 Cb 0.45 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 1khm h LEU 77 CO 0.00 1.44 0.37 -0.61 0.09 0.00 0.00 178.44 179.73 1khm h GLN 78 N -0.54 1.08 0.00 1.13 4.15 -0.92 -2.30 115.11 117.71 1khm h GLN 78 Ca -0.22 -0.15 -0.07 0.00 0.77 0.00 0.00 58.65 58.98 1khm h GLN 78 Cb 1.54 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 29.02 1khm h GLN 78 CO 0.03 0.82 -0.34 -0.97 -1.93 0.00 0.00 178.83 176.44 1khm h ASN 79 N 1.07 0.00 -0.56 -0.69 -1.24 -1.42 -3.10 115.58 109.64 1khm h ASN 79 Ca 0.26 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 57.25 1khm h ASN 79 Cb 0.10 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.12 1khm h ASN 79 CO -0.03 0.34 0.28 0.77 -1.29 0.00 0.00 177.43 177.49 1khm h SER 80 N 0.00 0.76 -0.45 1.15 4.64 -1.05 -2.61 113.55 116.00 1khm h SER 80 Ca -0.00 -0.08 0.09 0.00 -0.47 0.00 0.00 61.79 61.33 1khm h SER 80 Cb 1.21 -0.19 -0.09 0.00 -0.31 0.00 0.00 62.40 63.02 1khm h SER 80 CO 0.04 0.65 -0.17 0.58 -0.87 0.00 0.00 176.83 177.06 1khm h VAL 81 N 0.84 0.44 -0.67 0.95 2.07 -1.45 0.21 116.25 118.63 1khm h VAL 81 Ca 0.21 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.92 1khm h VAL 81 Cb 0.10 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.28 1khm h VAL 81 CO -0.03 0.00 0.75 0.11 0.02 0.00 0.00 177.57 178.43 1khm h LYS 82 N -0.08 0.00 0.00 1.57 1.57 -1.61 2.26 116.57 120.29 1khm h LYS 82 Ca 0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 1khm h LYS 82 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.72 1khm h LYS 82 CO -0.50 0.00 0.00 0.94 -0.57 0.00 0.00 179.45 179.32 1khm n GLN 83 N -3.52 0.02 -1.47 3.15 7.27 0.72 -3.19 117.38 120.36 1khm n GLN 83 Ca 0.14 0.48 -0.18 0.00 0.07 0.00 0.00 57.00 57.51 1khm n GLN 83 Cb 0.99 -1.57 -0.17 0.00 2.41 0.00 0.00 30.24 31.89 1khm n GLN 83 CO 0.00 0.00 0.00 0.98 0.07 0.00 0.00 177.06 178.11 1khm n TYR 84 N -1.62 0.27 -2.81 3.69 9.36 0.76 0.22 117.16 127.04 1khm n TYR 84 Ca 0.00 -0.01 -0.17 0.00 3.32 0.00 0.00 57.90 61.04 1khm n TYR 84 Cb 0.04 -1.01 0.00 0.00 -0.63 0.00 0.00 39.34 37.74 1khm n TYR 84 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 1khm n SER 85 N 8.62 -4.23 -1.50 2.98 3.41 -1.26 -4.37 113.62 117.26 1khm n SER 85 Ca 0.57 -0.06 0.00 0.00 -0.26 0.00 0.00 58.87 59.12 1khm n SER 85 Cb 0.24 -3.53 -0.00 0.00 -0.26 0.00 0.00 64.21 60.66 1khm n SER 85 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1khm n GLY 86 N -1.03 -4.01 2.60 5.00 0.00 0.13 -3.65 105.19 104.24 1khm n GLY 86 Ca -0.11 -0.88 -0.12 0.00 0.00 0.00 0.00 46.02 44.92 1khm n GLY 86 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1khm n LYS 87 N -2.61 1.26 0.00 1.61 5.02 -1.19 -4.20 118.16 118.05 1khm n LYS 87 Ca -0.00 -0.94 0.00 0.00 -2.02 0.00 0.00 58.31 55.35 1khm n LYS 87 Cb 0.47 -2.13 0.00 0.00 -0.02 0.00 0.00 35.03 33.35 1khm n LYS 87 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1khm n PHE 88 N 3.96 0.00 -0.87 2.13 7.35 -1.25 -5.19 117.46 123.59 1khm n PHE 88 Ca 0.27 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.96 1khm n PHE 88 Cb 0.17 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.00 1khm n PHE 88 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34