#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 -6.42 -4.77 1.61 3.41 -1.26 -4.88 113.62 101.32 1khm n SER 2 Ca 0.00 -0.42 -0.40 0.00 -0.26 0.00 0.00 58.87 57.78 1khm n SER 2 Cb 0.00 -3.55 -0.02 0.00 -0.26 0.00 0.00 64.21 60.38 1khm n SER 2 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1khm s PRO 3 N -3.78 4.34 0.18 4.33 0.05 -1.26 -4.92 135.00 133.94 1khm s PRO 3 Ca 0.04 2.18 -0.33 0.00 0.05 0.00 0.00 61.00 62.93 1khm s PRO 3 Cb -0.01 -3.05 -0.14 0.00 0.05 0.00 0.00 34.50 31.36 1khm s PRO 3 CO 0.82 -0.18 1.54 0.09 0.05 0.00 0.00 177.00 179.32 1khm n ASN 4 N 0.77 3.05 -3.46 6.66 4.13 -1.26 -4.86 115.26 120.28 1khm n ASN 4 Ca 0.00 1.10 -0.40 0.00 1.68 0.00 0.00 54.58 56.96 1khm n ASN 4 Cb 0.42 -1.43 0.01 0.00 -1.54 0.00 0.00 39.78 37.23 1khm n ASN 4 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 1khm n SER 5 N 3.10 7.63 0.00 6.41 2.88 -1.26 -3.92 113.62 128.45 1khm n SER 5 Ca 0.15 -3.43 0.00 0.00 -1.33 0.00 0.00 58.87 54.27 1khm n SER 5 Cb 0.30 -1.25 0.00 0.00 -0.75 0.00 0.00 64.21 62.50 1khm n SER 5 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1khm n TYR 6 N 0.75 0.00 -0.33 0.66 9.36 -1.26 -4.95 117.16 121.39 1khm n TYR 6 Ca 0.54 0.00 0.13 0.00 3.32 0.00 0.00 57.90 61.89 1khm n TYR 6 Cb 0.27 0.05 0.31 0.00 -0.63 0.00 0.00 39.34 39.34 1khm n TYR 6 CO 0.00 0.00 0.00 0.78 0.22 0.00 0.00 176.86 177.86 1khm h GLY 7 N 0.00 1.68 -2.02 2.98 0.00 -1.98 -3.45 103.07 100.28 1khm h GLY 7 Ca 0.00 -0.29 0.34 0.00 0.00 0.00 0.00 47.33 47.37 1khm h GLY 7 CO 0.00 -0.13 0.89 -0.35 0.00 0.00 0.00 176.54 176.95 1khm s ASP 8 N -5.33 -0.00 -1.21 0.19 -1.08 -1.26 -5.04 116.67 102.94 1khm s ASP 8 Ca -0.11 -0.20 -0.06 0.00 -0.52 0.00 0.00 52.55 51.66 1khm s ASP 8 Cb 0.25 0.15 0.21 0.00 -1.46 0.00 0.00 42.92 42.07 1khm s ASP 8 CO 0.79 -0.30 1.90 0.18 0.52 0.00 0.00 175.17 178.26 1khm n LEU 9 N -0.83 7.06 -4.07 -1.34 7.99 -1.26 -4.69 117.00 119.85 1khm n LEU 9 Ca 0.01 -4.96 -0.30 0.00 -0.01 0.00 0.00 56.01 50.76 1khm n LEU 9 Cb 0.59 -1.35 -0.03 0.00 -0.11 0.00 0.00 43.42 42.53 1khm n LEU 9 CO 0.15 1.73 -0.15 0.61 -1.51 0.00 0.00 177.39 178.21 1khm n GLY 10 N 1.75 -0.31 0.18 -0.72 0.00 -1.26 -4.49 105.19 100.33 1khm n GLY 10 Ca 0.43 0.15 0.02 0.00 0.00 0.00 0.00 46.02 46.62 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 -1.78 -2.31 3.64 -0.02 0.00 -1.26 -4.78 105.19 98.68 1khm n GLY 11 Ca -0.15 -1.43 -0.30 0.00 0.00 0.00 0.00 46.02 44.14 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 -2.57 0.66 0.33 1.61 0.04 -1.26 -4.99 135.00 128.81 1khm s PRO 12 Ca 0.00 1.17 -0.25 0.00 0.04 0.00 0.00 61.00 61.95 1khm s PRO 12 Cb 0.00 -1.71 -0.10 0.00 0.04 0.00 0.00 34.50 32.73 1khm s PRO 12 CO 0.00 -2.75 0.93 0.42 0.04 0.00 0.00 177.00 175.64 1khm s ILE 13 N -2.68 4.24 0.11 0.56 -1.09 -1.26 -4.80 121.20 116.28 1khm s ILE 13 Ca 0.66 1.77 0.09 0.00 -2.23 0.00 0.00 60.65 60.94 1khm s ILE 13 Cb -0.22 -3.97 -0.04 0.00 -1.58 0.00 0.00 42.46 36.65 1khm s ILE 13 CO 0.59 0.11 -0.23 -0.63 -1.23 0.00 0.00 174.94 173.56 1khm s ILE 14 N -1.65 1.89 -0.03 2.92 1.01 -1.21 -5.03 121.20 119.10 1khm s ILE 14 Ca 0.51 -1.62 0.05 0.00 0.00 0.00 0.00 60.65 59.59 1khm s ILE 14 Cb -0.18 -1.70 -0.01 0.00 0.01 0.00 0.00 42.46 40.58 1khm s ILE 14 CO 0.23 -0.02 -0.18 -0.89 0.00 0.00 0.00 174.94 174.09 1khm s THR 15 N -1.14 1.41 0.01 2.92 2.01 -1.26 -3.46 115.64 116.13 1khm s THR 15 Ca 0.09 -0.74 0.00 0.00 0.31 0.00 0.00 61.69 61.35 1khm s THR 15 Cb -0.10 -1.19 -0.01 0.00 0.01 0.00 0.00 72.50 71.21 1khm s THR 15 CO 0.05 0.40 -0.02 0.28 -0.69 0.00 0.00 174.62 174.64 1khm s THR 16 N -0.23 0.10 0.04 -0.82 -1.32 -1.09 -5.00 115.64 107.32 1khm s THR 16 Ca 0.02 -0.41 0.04 0.00 -1.21 0.00 0.00 61.69 60.14 1khm s THR 16 Cb -0.09 -0.16 -0.04 0.00 -1.51 0.00 0.00 72.50 70.71 1khm s THR 16 CO 0.00 -0.19 -0.06 -1.10 -2.21 0.00 0.00 174.62 171.06 1khm s GLN 17 N -0.63 2.47 0.13 7.08 -0.21 -1.26 -1.34 119.66 125.91 1khm s GLN 17 Ca -0.06 -0.80 0.08 0.00 0.02 0.00 0.00 55.36 54.60 1khm s GLN 17 Cb -0.04 -2.47 -0.04 0.00 1.00 0.00 0.00 33.01 31.45 1khm s GLN 17 CO -0.00 0.57 -0.19 0.08 -2.12 0.00 0.00 175.29 173.63 1khm s VAL 18 N -1.09 1.75 -0.08 1.09 1.01 0.99 -4.95 120.40 119.12 1khm s VAL 18 Ca 0.19 -1.73 0.03 0.00 0.00 0.00 0.00 61.98 60.47 1khm s VAL 18 Cb -0.11 -1.69 0.01 0.00 0.00 0.00 0.00 36.38 34.58 1khm s VAL 18 CO 0.11 -0.20 -0.15 -0.89 0.00 0.00 0.00 175.10 173.96 1khm s THR 19 N -1.64 1.38 -0.01 3.92 2.01 -1.26 -0.65 115.64 119.38 1khm s THR 19 Ca 0.11 -0.62 0.05 0.00 0.31 0.00 0.00 61.69 61.55 1khm s THR 19 Cb -0.08 -1.24 -0.01 0.00 0.01 0.00 0.00 72.50 71.18 1khm s THR 19 CO 0.05 0.41 -0.18 0.27 -0.69 0.00 0.00 174.62 174.49 1khm s ILE 20 N 0.62 1.40 0.66 1.82 -4.36 -0.79 -5.01 121.20 115.54 1khm s ILE 20 Ca -0.15 -0.77 -0.17 0.00 -0.26 0.00 0.00 60.65 59.30 1khm s ILE 20 Cb -0.16 -1.17 -0.01 0.00 1.25 0.00 0.00 42.46 42.37 1khm s ILE 20 CO 0.05 0.39 1.20 -0.81 0.24 0.00 0.00 174.94 176.00 1khm n PRO 21 N 2.62 0.94 -0.34 0.37 -0.04 -1.26 -2.34 135.00 134.95 1khm n PRO 21 Ca -0.15 0.38 0.03 0.00 -0.04 0.00 0.00 63.50 63.72 1khm n PRO 21 Cb 0.54 -2.43 0.17 0.00 -0.04 0.00 0.00 33.50 31.74 1khm n PRO 21 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1khm h LYS 22 N 0.32 1.00 -0.37 0.54 3.64 -1.67 0.35 116.57 120.37 1khm h LYS 22 Ca -0.50 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 58.80 1khm h LYS 22 Cb 1.34 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 32.92 1khm h LYS 22 CO 0.51 0.66 0.15 0.22 -2.27 0.00 0.00 179.45 178.73 1khm h ASP 23 N 1.03 0.51 1.16 4.20 3.58 -1.90 -2.51 116.42 122.50 1khm h ASP 23 Ca 0.42 -0.16 -0.11 0.00 0.42 0.00 0.00 57.03 57.60 1khm h ASP 23 Cb 0.25 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 41.15 1khm h ASP 23 CO -0.20 0.54 -0.52 -0.07 -2.88 0.00 0.00 179.24 176.10 1khm h LEU 24 N 0.45 0.00 -1.20 2.28 3.38 -1.84 -3.12 115.31 115.26 1khm h LEU 24 Ca 0.12 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.11 1khm h LEU 24 Cb 0.18 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 1khm h LEU 24 CO -0.01 0.52 0.54 0.00 0.09 0.00 0.00 178.44 179.59 1khm h ALA 25 N 1.48 1.44 -0.01 1.53 0.00 0.09 -0.16 119.26 123.63 1khm h ALA 25 Ca -0.01 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.69 1khm h ALA 25 Cb 1.25 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 1khm h ALA 25 CO 0.07 0.51 -0.74 0.00 0.00 0.00 0.00 179.25 179.09 1khm h ARG 26 N 1.08 0.06 -0.14 0.00 3.08 -1.40 -1.10 114.38 115.97 1khm h ARG 26 Ca 0.31 -0.06 -0.14 0.00 0.07 0.00 0.00 59.98 60.16 1khm h ARG 26 Cb -0.08 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 1khm h ARG 26 CO -0.07 0.77 -0.52 0.77 -1.07 0.00 0.00 179.97 179.84 1khm h SER 27 N 0.04 0.43 0.13 7.04 0.02 -1.21 -2.40 113.55 117.61 1khm h SER 27 Ca -0.01 -0.22 -0.22 0.00 -0.84 0.00 0.00 61.79 60.50 1khm h SER 27 Cb 1.30 -0.12 0.01 0.00 0.14 0.00 0.00 62.40 63.73 1khm h SER 27 CO 0.10 0.87 -1.02 0.40 -1.14 0.00 0.00 176.83 176.05 1khm h ILE 28 N 0.31 1.35 -0.30 3.27 2.04 -0.95 -3.34 117.51 119.88 1khm h ILE 28 Ca 0.01 -2.49 -0.10 0.00 1.00 0.00 0.00 64.86 63.28 1khm h ILE 28 Cb 1.02 3.03 -0.01 0.00 -0.74 0.00 0.00 36.82 40.11 1khm h ILE 28 CO 0.09 0.71 -0.22 0.40 0.00 0.00 0.00 178.15 179.13 1khm h ILE 29 N -0.36 1.26 0.00 -0.67 2.04 -1.28 -3.41 117.51 115.10 1khm h ILE 29 Ca -0.20 -1.24 0.00 0.00 1.00 0.00 0.00 64.86 64.42 1khm h ILE 29 Cb 1.68 1.27 0.00 0.00 -0.74 0.00 0.00 36.82 39.02 1khm h ILE 29 CO 0.12 0.40 0.00 0.61 0.00 0.00 0.00 178.15 179.28 1khm n GLY 30 N -0.39 -2.72 0.02 5.37 0.00 -0.90 -2.50 105.19 104.07 1khm n GLY 30 Ca 0.00 -1.80 0.12 0.00 0.00 0.00 0.00 46.02 44.34 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 -0.28 0.07 -0.50 1.61 5.02 -1.26 -4.23 118.16 118.59 1khm n LYS 31 Ca 0.00 -0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 1khm n LYS 31 Cb 0.00 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.51 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 1.49 0.61 3.95 0.72 0.00 -1.26 -4.95 105.19 105.74 1khm n GLY 32 Ca 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 1.71 0.37 -0.02 0.00 -1.04 -4.79 105.19 101.42 1khm n GLY 33 Ca -0.00 0.00 0.31 0.00 0.00 0.00 0.00 46.02 46.33 1khm n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1khm n GLN 34 N -1.93 -0.03 0.08 1.61 10.64 -1.26 0.23 117.38 126.73 1khm n GLN 34 Ca 0.00 0.98 -0.10 0.00 -1.83 0.00 0.00 57.00 56.05 1khm n GLN 34 Cb 0.00 -1.94 -0.04 0.00 -0.86 0.00 0.00 30.24 27.41 1khm n GLN 34 CO 0.00 0.00 0.00 -0.09 -1.83 0.00 0.00 177.06 175.14 1khm h ARG 35 N 0.00 0.23 0.00 2.61 9.65 -1.84 -3.01 114.38 122.02 1khm h ARG 35 Ca 0.69 -0.27 -0.11 0.00 -1.10 0.00 0.00 59.98 59.19 1khm h ARG 35 Cb 2.22 0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 30.87 1khm h ARG 35 CO -0.37 1.01 -0.54 0.97 2.80 0.00 0.00 179.97 183.84 1khm h ILE 36 N 0.12 1.03 -0.15 1.20 -0.00 0.28 -3.02 117.51 116.96 1khm h ILE 36 Ca -0.06 -2.17 -0.06 0.00 -0.00 0.00 0.00 64.86 62.58 1khm h ILE 36 Cb 1.59 2.31 -0.00 0.00 -0.00 0.00 0.00 36.82 40.71 1khm h ILE 36 CO 0.15 0.53 -0.14 0.11 -0.00 0.00 0.00 178.15 178.80 1khm h LYS 37 N 0.00 0.36 -0.01 2.19 1.57 -1.22 -2.08 116.57 117.39 1khm h LYS 37 Ca -0.01 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 1khm h LYS 37 Cb 1.27 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.58 1khm h LYS 37 CO 0.07 0.74 0.01 1.96 -0.57 0.00 0.00 179.45 181.65 1khm h GLN 38 N -0.00 0.01 -0.52 3.15 4.20 -1.56 -1.92 115.11 118.48 1khm h GLN 38 Ca 0.03 -0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.79 1khm h GLN 38 Cb 0.66 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.41 1khm h GLN 38 CO 0.04 0.01 0.34 0.82 -0.67 0.00 0.00 178.83 179.37 1khm h ILE 39 N 0.01 0.99 0.51 2.54 2.04 -1.54 0.22 117.51 122.28 1khm h ILE 39 Ca 0.00 -0.17 -0.02 0.00 1.00 0.00 0.00 64.86 65.67 1khm h ILE 39 Cb -0.00 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 36.55 1khm h ILE 39 CO -0.00 0.09 -0.24 -0.09 0.00 0.00 0.00 178.15 177.90 1khm h ARG 40 N 0.49 -0.66 -0.66 2.37 2.43 -0.62 0.19 114.38 117.93 1khm h ARG 40 Ca 0.22 0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.38 1khm h ARG 40 Cb 0.26 0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.93 1khm h ARG 40 CO -0.06 -0.44 0.18 1.25 -1.51 0.00 0.00 179.97 179.39 1khm h HIS 41 N -0.71 1.07 -0.62 2.20 2.76 -1.32 0.59 115.15 119.12 1khm h HIS 41 Ca -0.07 -0.11 -0.04 0.00 -2.20 0.00 0.00 60.37 57.95 1khm h HIS 41 Cb 0.52 -0.31 -0.03 0.00 1.55 0.00 0.00 27.41 29.15 1khm h HIS 41 CO 0.10 0.87 0.24 1.49 -1.30 0.00 0.00 177.93 179.33 1khm h GLU 42 N 0.99 0.94 0.00 5.26 4.57 -0.56 -2.97 114.58 122.81 1khm h GLU 42 Ca 0.21 -0.18 -0.07 0.00 -1.18 0.00 0.00 59.36 58.15 1khm h GLU 42 Cb 0.32 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.75 1khm h GLU 42 CO -0.00 0.80 -0.90 0.66 -1.18 0.00 0.00 179.01 178.39 1khm h SER 43 N 0.88 0.00 0.00 1.04 4.64 -0.38 -3.47 113.55 116.26 1khm h SER 43 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 1khm h SER 43 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1khm h SER 43 CO -0.02 0.25 0.00 0.61 -0.87 0.00 0.00 176.83 176.80 1khm n GLY 44 N 1.24 0.84 3.89 -0.77 0.00 0.21 -4.83 105.19 105.77 1khm n GLY 44 Ca -0.02 0.00 -0.29 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 -3.52 3.24 -0.08 4.61 0.00 -1.19 -4.99 121.76 119.82 1khm s ALA 45 Ca 0.00 -0.35 -0.01 0.00 0.00 0.00 0.00 51.96 51.59 1khm s ALA 45 Cb 0.00 -2.81 -0.03 0.00 0.00 0.00 0.00 23.12 20.28 1khm s ALA 45 CO 0.00 -0.59 -0.01 0.45 0.00 0.00 0.00 175.76 175.61 1khm s SER 46 N -4.18 5.13 -0.01 0.00 0.15 -0.76 -4.73 113.70 109.30 1khm s SER 46 Ca 0.52 0.11 0.01 0.00 0.70 0.00 0.00 55.95 57.29 1khm s SER 46 Cb -0.11 -1.43 0.01 0.00 -1.71 0.00 0.00 66.02 62.78 1khm s SER 46 CO 0.49 0.37 -0.03 -0.63 1.20 0.00 0.00 173.24 174.65 1khm s ILE 47 N -0.85 0.25 -0.11 6.45 1.01 -1.26 -1.14 121.20 125.55 1khm s ILE 47 Ca 0.13 -0.09 0.03 0.00 0.00 0.00 0.00 60.65 60.72 1khm s ILE 47 Cb -0.11 -0.25 0.01 0.00 0.01 0.00 0.00 42.46 42.12 1khm s ILE 47 CO 0.02 0.10 -0.19 -0.75 0.00 0.00 0.00 174.94 174.12 1khm s LYS 48 N 0.22 2.60 -0.13 2.79 2.20 -0.73 -5.00 119.74 121.69 1khm s LYS 48 Ca -0.02 -0.71 -0.11 0.00 -0.36 0.00 0.00 55.97 54.78 1khm s LYS 48 Cb -0.05 -2.09 -0.05 0.00 -1.51 0.00 0.00 37.83 34.13 1khm s LYS 48 CO -0.00 0.02 0.22 0.42 -0.36 0.00 0.00 175.35 175.64 1khm s ILE 49 N 0.75 5.36 0.09 5.43 1.01 -1.26 -1.61 121.20 130.97 1khm s ILE 49 Ca -0.11 0.39 -0.05 0.00 0.00 0.00 0.00 60.65 60.88 1khm s ILE 49 Cb -0.16 -3.52 -0.05 0.00 0.01 0.00 0.00 42.46 38.74 1khm s ILE 49 CO 0.01 0.52 0.33 -1.81 0.00 0.00 0.00 174.94 174.00 1khm s ASP 50 N -0.40 6.49 0.57 3.58 1.01 -1.06 -5.01 116.67 121.85 1khm s ASP 50 Ca 0.15 0.56 -0.20 0.00 0.71 0.00 0.00 52.55 53.78 1khm s ASP 50 Cb -0.13 -2.08 -0.04 0.00 1.01 0.00 0.00 42.92 41.68 1khm s ASP 50 CO 0.04 0.13 1.22 -1.83 0.21 0.00 0.00 175.17 174.94 1khm s GLU 51 N -2.34 3.08 0.42 8.23 -1.05 -1.26 -4.39 118.70 121.38 1khm s GLU 51 Ca 0.36 1.87 -0.26 0.00 -0.15 0.00 0.00 54.97 56.79 1khm s GLU 51 Cb -0.13 -2.02 -0.09 0.00 -0.44 0.00 0.00 34.13 31.45 1khm s GLU 51 CO 0.22 -1.13 1.42 -1.25 0.95 0.00 0.00 175.26 175.48 1khm s PRO 52 N -3.21 3.88 -0.12 -4.83 0.04 -1.26 -4.84 135.00 124.66 1khm s PRO 52 Ca 0.75 2.42 -0.30 0.00 0.04 0.00 0.00 61.00 63.92 1khm s PRO 52 Cb -0.31 -2.78 -0.02 0.00 0.04 0.00 0.00 34.50 31.42 1khm s PRO 52 CO 0.35 -0.66 1.20 -0.51 0.04 0.00 0.00 177.00 177.41 1khm s LEU 53 N -2.45 4.22 0.30 -3.56 1.43 -1.26 -4.96 118.68 112.39 1khm s LEU 53 Ca 0.57 1.71 -0.28 0.00 -1.03 0.00 0.00 54.13 55.10 1khm s LEU 53 Cb -0.44 -3.55 -0.14 0.00 0.03 0.00 0.00 46.19 42.10 1khm s LEU 53 CO 0.57 -0.65 1.03 -1.84 0.23 0.00 0.00 176.35 175.69 1khm n GLU 54 N 5.86 1.41 -1.52 1.70 0.28 -1.26 -2.60 120.64 124.51 1khm n GLU 54 Ca 0.12 0.49 0.00 0.00 -0.16 0.00 0.00 57.16 57.61 1khm n GLU 54 Cb 0.46 -1.88 0.00 0.00 1.43 0.00 0.00 31.44 31.45 1khm n GLU 54 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1khm n GLY 55 N 1.19 0.86 3.78 -1.84 0.00 -1.26 -5.06 105.19 102.86 1khm n GLY 55 Ca 0.09 -0.61 -0.08 0.00 0.00 0.00 0.00 46.02 45.42 1khm n GLY 55 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1khm s SER 56 N -2.72 -0.08 -0.29 1.61 1.04 -1.07 -5.07 113.70 107.13 1khm s SER 56 Ca 0.00 -0.88 0.17 0.00 0.48 0.00 0.00 55.95 55.72 1khm s SER 56 Cb 0.00 0.74 0.48 0.00 0.10 0.00 0.00 66.02 67.35 1khm s SER 56 CO 0.00 -1.42 1.10 -1.84 0.98 0.00 0.00 173.24 172.06 1khm n GLU 57 N -0.48 2.21 -4.08 4.02 0.00 -1.26 -4.92 120.64 116.13 1khm n GLU 57 Ca -0.05 -3.70 -0.11 0.00 0.00 0.00 0.00 57.16 53.31 1khm n GLU 57 Cb 0.60 -1.76 -0.11 0.00 0.00 0.00 0.00 31.44 30.17 1khm n GLU 57 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1khm s ASP 58 N -3.64 0.76 -0.03 -1.84 1.11 -1.26 -1.70 116.67 110.07 1khm s ASP 58 Ca 0.34 -0.75 0.07 0.00 0.18 0.00 0.00 52.55 52.39 1khm s ASP 58 Cb 0.37 0.09 -0.02 0.00 1.07 0.00 0.00 42.92 44.43 1khm s ASP 58 CO -0.02 -0.37 -0.24 -0.13 1.18 0.00 0.00 175.17 175.59 1khm s ARG 59 N -2.61 2.26 0.06 8.23 0.52 -0.99 -4.41 118.95 122.02 1khm s ARG 59 Ca -0.02 -0.89 0.05 0.00 -0.52 0.00 0.00 55.73 54.34 1khm s ARG 59 Cb -0.03 -2.11 -0.04 0.00 0.52 0.00 0.00 34.95 33.29 1khm s ARG 59 CO -0.03 0.53 -0.04 0.42 0.02 0.00 0.00 175.30 176.20 1khm s ILE 60 N -0.53 3.80 0.02 1.52 1.01 -1.26 -1.88 121.20 123.87 1khm s ILE 60 Ca 0.07 -0.96 0.04 0.00 0.00 0.00 0.00 60.65 59.81 1khm s ILE 60 Cb -0.11 -2.75 -0.02 0.00 0.01 0.00 0.00 42.46 39.59 1khm s ILE 60 CO 0.00 0.21 -0.13 -0.63 0.00 0.00 0.00 174.94 174.40 1khm s ILE 61 N -1.19 1.01 -0.18 2.92 1.01 0.17 -2.57 121.20 122.38 1khm s ILE 61 Ca 0.22 -0.77 -0.00 0.00 0.00 0.00 0.00 60.65 60.10 1khm s ILE 61 Cb -0.11 -0.89 0.00 0.00 0.01 0.00 0.00 42.46 41.47 1khm s ILE 61 CO 0.14 0.12 -0.14 -0.89 0.00 0.00 0.00 174.94 174.16 1khm s THR 62 N -0.59 2.63 -0.16 2.92 2.01 -0.64 -0.01 115.64 121.81 1khm s THR 62 Ca 0.03 -0.76 -0.07 0.00 0.31 0.00 0.00 61.69 61.19 1khm s THR 62 Cb -0.06 -2.13 -0.04 0.00 0.01 0.00 0.00 72.50 70.27 1khm s THR 62 CO 0.00 0.50 0.08 -0.63 -0.69 0.00 0.00 174.62 173.89 1khm s ILE 63 N 1.10 5.01 -0.06 1.82 1.01 -0.45 -1.78 121.20 127.85 1khm s ILE 63 Ca 0.00 0.04 0.02 0.00 0.00 0.00 0.00 60.65 60.70 1khm s ILE 63 Cb -0.14 -3.23 0.02 0.00 0.01 0.00 0.00 42.46 39.11 1khm s ILE 63 CO -0.05 0.50 -0.09 -0.89 0.00 0.00 0.00 174.94 174.42 1khm s THR 64 N -0.06 0.89 -4.04 2.92 2.01 -0.29 -2.66 115.64 114.42 1khm s THR 64 Ca 0.08 -0.33 0.00 0.00 0.31 0.00 0.00 61.69 61.75 1khm s THR 64 Cb -0.12 -0.85 0.00 0.00 0.01 0.00 0.00 72.50 71.54 1khm s THR 64 CO 0.01 0.30 0.00 0.61 -0.69 0.00 0.00 174.62 174.85 1khm n GLY 65 N 3.95 -1.85 3.79 4.40 0.00 -1.22 -1.83 105.19 112.43 1khm n GLY 65 Ca -0.23 -1.20 -0.31 0.00 0.00 0.00 0.00 46.02 44.28 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 -2.61 3.63 0.25 2.61 -4.23 -1.26 -3.35 115.64 110.67 1khm s THR 66 Ca 0.00 0.55 -0.06 0.00 -1.18 0.00 0.00 61.69 61.00 1khm s THR 66 Cb 0.00 -3.14 0.27 0.00 1.34 0.00 0.00 72.50 70.96 1khm s THR 66 CO 0.00 -0.67 1.65 -0.61 -0.54 0.00 0.00 174.62 174.45 1khm h GLN 67 N -0.81 0.14 -0.26 3.99 -0.00 -1.87 0.20 115.11 116.51 1khm h GLN 67 Ca -0.44 -0.01 -0.08 0.00 -0.00 0.00 0.00 58.65 58.13 1khm h GLN 67 Cb 1.22 -0.03 -0.01 0.00 0.00 0.00 0.00 27.48 28.67 1khm h GLN 67 CO 0.54 0.09 -0.13 0.22 0.00 0.00 0.00 178.83 179.55 1khm h ASP 68 N 0.14 0.56 -0.69 -0.69 3.58 -1.96 -0.80 116.42 116.57 1khm h ASP 68 Ca 0.42 -0.42 0.02 0.00 0.42 0.00 0.00 57.03 57.47 1khm h ASP 68 Cb 0.75 -0.16 -0.04 0.00 1.72 0.00 0.00 39.33 41.61 1khm h ASP 68 CO -0.63 0.85 0.46 1.56 -2.88 0.00 0.00 179.24 178.60 1khm h GLN 69 N 0.27 0.87 -0.13 0.28 1.08 -1.42 -0.66 115.11 115.39 1khm h GLN 69 Ca 0.06 -0.05 -0.08 0.00 -1.45 0.00 0.00 58.65 57.12 1khm h GLN 69 Cb 0.65 -0.20 0.00 0.00 -0.05 0.00 0.00 27.48 27.88 1khm h GLN 69 CO 0.04 0.57 -0.24 0.82 -0.95 0.00 0.00 178.83 179.07 1khm h ILE 70 N 0.89 1.37 -0.68 2.54 2.04 -0.48 -2.13 117.51 121.07 1khm h ILE 70 Ca 0.26 -1.49 0.00 0.00 1.00 0.00 0.00 64.86 64.63 1khm h ILE 70 Cb -0.04 2.01 -0.03 0.00 -0.74 0.00 0.00 36.82 38.02 1khm h ILE 70 CO -0.06 0.44 0.43 -0.61 0.00 0.00 0.00 178.15 178.35 1khm h GLN 71 N -0.00 0.91 -0.61 2.37 4.15 -0.70 0.55 115.11 121.78 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 0.82 -0.20 -0.03 0.00 0.21 0.00 0.00 27.48 28.29 1khm h GLN 71 CO 0.05 0.62 0.25 -0.91 -1.93 0.00 0.00 178.83 176.91 1khm h ASN 72 N 0.92 0.80 -0.06 -0.69 4.21 -1.13 -0.17 115.58 119.47 1khm h ASN 72 Ca 0.25 -0.10 -0.07 0.00 1.21 0.00 0.00 56.30 57.58 1khm h ASN 72 Cb -0.08 -0.21 0.00 0.00 -1.12 0.00 0.00 38.32 36.92 1khm h ASN 72 CO -0.05 0.71 -0.26 0.00 -1.29 0.00 0.00 177.43 176.55 1khm h ALA 73 N 1.41 0.11 -0.88 -0.83 0.00 -0.58 -2.63 119.26 115.85 1khm h ALA 73 Ca 0.21 -0.42 0.02 0.00 0.00 0.00 0.00 54.91 54.72 1khm h ALA 73 Cb 0.16 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 1khm h ALA 73 CO -0.02 0.12 0.58 1.96 0.00 0.00 0.00 179.25 181.88 1khm h GLN 74 N -0.25 1.13 -0.37 0.00 4.20 0.33 -1.85 115.11 118.30 1khm h GLN 74 Ca -0.02 -0.07 -0.10 0.00 0.06 0.00 0.00 58.65 58.53 1khm h GLN 74 Cb 0.91 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 28.42 1khm h GLN 74 CO 0.05 0.74 -0.17 -0.92 -0.67 0.00 0.00 178.83 177.86 1khm h TYR 75 N 1.16 0.75 0.00 2.96 3.20 -1.06 -1.57 116.97 122.41 1khm h TYR 75 Ca 0.33 -0.15 0.00 0.00 3.14 0.00 0.00 58.73 62.05 1khm h TYR 75 Cb -0.09 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 37.99 1khm h TYR 75 CO -0.01 0.81 0.00 1.28 -1.64 0.00 0.00 178.16 178.59 1khm n LEU 76 N -4.14 0.59 -0.01 2.82 4.77 -0.81 -2.19 117.00 118.03 1khm n LEU 76 Ca 0.01 0.62 -0.21 0.00 -0.03 0.00 0.00 56.01 56.40 1khm n LEU 76 Cb 0.39 -0.52 -0.13 0.00 -2.33 0.00 0.00 43.42 40.83 1khm n LEU 76 CO 0.43 -0.43 -0.33 -0.07 -1.33 0.00 0.00 177.39 175.65 1khm h LEU 77 N 0.00 0.30 -1.02 2.23 3.38 -0.53 -2.62 115.31 117.04 1khm h LEU 77 Ca 0.00 -0.83 -0.02 0.00 0.09 0.00 0.00 57.88 57.12 1khm h LEU 77 Cb 0.42 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 1khm h LEU 77 CO 0.00 1.53 0.37 -0.61 0.09 0.00 0.00 178.44 179.82 1khm h GLN 78 N -0.46 1.06 0.00 1.13 4.15 -1.23 -2.10 115.11 117.66 1khm h GLN 78 Ca -0.27 -0.14 -0.08 0.00 0.77 0.00 0.00 58.65 58.92 1khm h GLN 78 Cb 1.62 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 29.10 1khm h GLN 78 CO 0.02 0.81 -0.40 -0.97 -1.93 0.00 0.00 178.83 176.36 1khm h ASN 79 N 1.05 0.00 -0.63 -0.69 -1.24 -1.57 -3.15 115.58 109.35 1khm h ASN 79 Ca 0.26 0.00 -0.05 0.00 0.71 0.00 0.00 56.30 57.21 1khm h ASN 79 Cb 0.09 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.11 1khm h ASN 79 CO -0.03 0.40 0.20 0.77 -1.29 0.00 0.00 177.43 177.47 1khm h SER 80 N 0.00 0.95 -0.99 1.15 4.64 -0.98 -2.75 113.55 115.56 1khm h SER 80 Ca -0.00 -0.17 0.28 0.00 -0.47 0.00 0.00 61.79 61.42 1khm h SER 80 Cb 1.26 -0.25 -0.18 0.00 -0.31 0.00 0.00 62.40 62.92 1khm h SER 80 CO 0.05 0.89 0.03 0.58 -0.87 0.00 0.00 176.83 177.51 1khm h VAL 81 N 0.98 0.01 0.00 0.95 2.07 -1.45 1.67 116.25 120.47 1khm h VAL 81 Ca 0.22 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.73 1khm h VAL 81 Cb 0.29 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.06 1khm h VAL 81 CO -0.01 0.00 0.46 0.07 0.02 0.00 0.00 177.57 178.11 1khm h LYS 82 N 0.00 0.00 0.00 1.57 2.10 -1.67 0.76 116.57 119.33 1khm h LYS 82 Ca 0.61 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.26 1khm h LYS 82 Cb 1.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.59 1khm h LYS 82 CO -0.93 0.00 0.10 0.94 -2.00 0.00 0.00 179.45 177.56 1khm n GLN 83 N -2.73 0.06 -0.43 0.07 -0.06 0.57 -1.47 117.38 113.40 1khm n GLN 83 Ca -0.02 0.52 -0.04 0.00 -2.00 0.00 0.00 57.00 55.46 1khm n GLN 83 Cb 0.50 -1.79 -0.05 0.00 -4.06 0.00 0.00 30.24 24.83 1khm n GLN 83 CO 0.00 0.00 0.00 0.98 -0.20 0.00 0.00 177.06 177.84 1khm n TYR 84 N -1.79 0.00 -0.70 3.69 9.36 0.26 -4.50 117.16 123.47 1khm n TYR 84 Ca -0.01 -0.71 0.00 0.00 3.32 0.00 0.00 57.90 60.51 1khm n TYR 84 Cb 0.11 -0.75 0.00 0.00 -0.63 0.00 0.00 39.34 38.07 1khm n TYR 84 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 1khm n SER 85 N 2.26 -3.22 -0.09 2.98 7.64 -1.09 -4.76 113.62 117.34 1khm n SER 85 Ca 0.13 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.90 1khm n SER 85 Cb 0.40 -2.74 -0.04 0.00 -1.01 0.00 0.00 64.21 60.82 1khm n SER 85 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1khm h GLY 86 N 0.00 0.50 -4.88 0.23 0.00 -1.48 -3.34 103.07 94.10 1khm h GLY 86 Ca 0.00 -0.38 -0.38 0.00 0.00 0.00 0.00 47.33 46.57 1khm h GLY 86 CO 0.00 0.35 -1.04 0.28 0.00 0.00 0.00 176.54 176.13 1khm n LYS 87 N -4.60 2.14 -2.68 4.80 5.02 -1.10 -4.86 118.16 116.88 1khm n LYS 87 Ca -0.03 -3.69 -0.04 0.00 -2.02 0.00 0.00 58.31 52.52 1khm n LYS 87 Cb 0.26 -1.72 0.10 0.00 -0.02 0.00 0.00 35.03 33.65 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 -0.46 -0.95 0.00 2.13 7.35 -1.25 -4.97 117.46 119.32 1khm n PHE 88 Ca 0.19 -1.04 0.00 0.00 -0.76 0.00 0.00 57.45 55.84 1khm n PHE 88 Cb 0.82 1.28 0.00 0.00 0.35 0.00 0.00 39.48 41.93 1khm n PHE 88 CO 0.00 0.00 0.00 1.97 -0.76 0.00 0.00 176.76 177.97