#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 -2.17 -0.26 1.61 3.41 -1.26 -5.01 113.62 109.94 1khm n SER 2 Ca 0.00 -2.49 -0.06 0.00 -0.26 0.00 0.00 58.87 56.06 1khm n SER 2 Cb 0.00 1.29 0.05 0.00 -0.26 0.00 0.00 64.21 65.29 1khm n SER 2 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 1khm h PRO 3 N 3.72 1.00 0.00 4.33 0.11 -2.12 -3.41 132.00 135.63 1khm h PRO 3 Ca -0.16 -0.11 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1khm h PRO 3 Cb 1.12 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.03 1khm h PRO 3 CO 0.06 0.74 0.00 -1.71 -0.21 0.00 0.00 178.00 176.88 1khm n ASN 4 N -4.48 0.00 -0.13 -2.05 5.15 -1.26 -4.93 115.26 107.56 1khm n ASN 4 Ca 0.06 -0.60 0.00 0.00 -0.60 0.00 0.00 54.58 53.44 1khm n ASN 4 Cb 0.09 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.34 1khm n ASN 4 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1khm n SER 5 N 0.00 0.14 -1.38 1.20 7.64 -1.26 -3.98 113.62 115.98 1khm n SER 5 Ca 0.00 -1.14 0.00 0.00 1.01 0.00 0.00 58.87 58.74 1khm n SER 5 Cb 0.30 -0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.43 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 -0.32 0.00 0.53 1.43 9.36 -1.26 -4.23 117.16 122.68 1khm n TYR 6 Ca 0.00 -0.54 0.02 0.00 3.32 0.00 0.00 57.90 60.70 1khm n TYR 6 Cb 0.04 -0.33 0.14 0.00 -0.63 0.00 0.00 39.34 38.56 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 1.24 -0.27 3.37 2.98 0.00 -1.26 -4.83 105.19 106.43 1khm n GLY 7 Ca 0.00 -0.03 -0.13 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.79 -6.53 -1.83 1.61 8.00 -1.26 -4.79 116.55 110.95 1khm n ASP 8 Ca 0.04 -0.51 -0.10 0.00 0.71 0.00 0.00 54.79 54.93 1khm n ASP 8 Cb 0.02 -4.01 -0.05 0.00 -0.02 0.00 0.00 41.12 37.06 1khm n ASP 8 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1khm n LEU 9 N -2.48 5.65 0.00 0.64 4.77 -1.26 -4.72 117.00 119.60 1khm n LEU 9 Ca -0.11 -2.99 0.00 0.00 -0.03 0.00 0.00 56.01 52.88 1khm n LEU 9 Cb 0.58 -1.21 0.00 0.00 -2.33 0.00 0.00 43.42 40.45 1khm n LEU 9 CO 0.59 1.34 0.00 0.61 -1.33 0.00 0.00 177.39 178.59 1khm n GLY 10 N 1.52 1.18 0.00 -0.72 0.00 -1.26 -4.73 105.19 101.18 1khm n GLY 10 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 0.00 1.87 3.63 -0.02 0.00 -1.26 -5.12 105.19 104.29 1khm n GLY 11 Ca 0.00 -0.82 -0.29 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.00 0.32 0.12 1.61 0.04 -1.26 -5.00 135.00 128.83 1khm s PRO 12 Ca 0.00 0.86 -0.21 0.00 0.04 0.00 0.00 61.00 61.69 1khm s PRO 12 Cb 0.00 -1.70 -0.07 0.00 0.04 0.00 0.00 34.50 32.77 1khm s PRO 12 CO 0.00 -2.90 0.65 0.42 0.04 0.00 0.00 177.00 175.22 1khm s ILE 13 N -2.74 4.60 0.12 0.56 -1.09 -1.26 -4.76 121.20 116.62 1khm s ILE 13 Ca 0.66 1.39 0.08 0.00 -2.23 0.00 0.00 60.65 60.55 1khm s ILE 13 Cb -0.21 -3.98 -0.04 0.00 -1.58 0.00 0.00 42.46 36.65 1khm s ILE 13 CO 0.60 0.51 -0.20 -0.63 -1.23 0.00 0.00 174.94 173.99 1khm s ILE 14 N -1.16 1.72 0.01 2.92 1.01 -1.19 -5.01 121.20 119.50 1khm s ILE 14 Ca 0.33 -1.64 0.04 0.00 0.00 0.00 0.00 60.65 59.38 1khm s ILE 14 Cb -0.20 -1.62 -0.01 0.00 0.01 0.00 0.00 42.46 40.63 1khm s ILE 14 CO 0.22 -0.14 -0.14 0.28 0.00 0.00 0.00 174.94 175.16 1khm s THR 15 N -1.42 1.09 -0.01 2.92 -1.32 -1.26 -3.05 115.64 112.60 1khm s THR 15 Ca 0.09 -0.75 -0.05 0.00 -1.21 0.00 0.00 61.69 59.77 1khm s THR 15 Cb -0.09 -0.94 0.00 0.00 -1.51 0.00 0.00 72.50 69.96 1khm s THR 15 CO 0.05 0.19 0.10 0.28 -2.21 0.00 0.00 174.62 173.02 1khm s THR 16 N -0.53 0.06 0.06 5.08 -1.32 -1.02 -5.00 115.64 112.98 1khm s THR 16 Ca 0.04 -0.52 0.06 0.00 -1.21 0.00 0.00 61.69 60.07 1khm s THR 16 Cb -0.06 -0.31 -0.04 0.00 -1.51 0.00 0.00 72.50 70.58 1khm s THR 16 CO 0.00 -0.28 -0.13 -1.10 -2.21 0.00 0.00 174.62 170.90 1khm s GLN 17 N -0.94 2.17 0.13 7.08 -0.21 -1.26 -1.23 119.66 125.40 1khm s GLN 17 Ca -0.10 -0.96 0.10 0.00 0.02 0.00 0.00 55.36 54.42 1khm s GLN 17 Cb -0.06 -2.29 -0.04 0.00 1.00 0.00 0.00 33.01 31.63 1khm s GLN 17 CO 0.01 0.54 -0.24 0.08 -2.12 0.00 0.00 175.29 173.56 1khm s VAL 18 N -1.05 2.04 -0.53 1.09 1.01 0.62 -4.95 120.40 118.64 1khm s VAL 18 Ca 0.18 -1.73 0.04 0.00 0.00 0.00 0.00 61.98 60.46 1khm s VAL 18 Cb -0.11 -1.85 0.16 0.00 0.00 0.00 0.00 36.38 34.59 1khm s VAL 18 CO 0.09 -0.02 0.37 -0.89 0.00 0.00 0.00 175.10 174.65 1khm s THR 19 N -1.25 1.50 0.44 3.92 2.01 -1.26 -0.99 115.64 120.00 1khm s THR 19 Ca 0.12 -3.22 -0.21 0.00 0.31 0.00 0.00 61.69 58.69 1khm s THR 19 Cb -0.09 -2.01 -0.10 0.00 0.01 0.00 0.00 72.50 70.30 1khm s THR 19 CO 0.06 -1.08 0.98 0.27 -0.69 0.00 0.00 174.62 174.16 1khm s ILE 20 N -0.43 4.21 1.16 1.82 -4.36 -0.97 -4.90 121.20 117.73 1khm s ILE 20 Ca 0.27 1.40 -0.15 0.00 -0.26 0.00 0.00 60.65 61.91 1khm s ILE 20 Cb -0.05 -3.58 0.22 0.00 1.25 0.00 0.00 42.46 40.29 1khm s ILE 20 CO -0.14 -0.27 0.64 -2.65 0.24 0.00 0.00 174.94 172.76 1khm n PRO 21 N -0.65 -2.15 0.02 0.37 -0.02 -1.26 -2.61 135.00 128.70 1khm n PRO 21 Ca 0.07 -0.60 -0.19 0.00 -2.02 0.00 0.00 63.50 60.76 1khm n PRO 21 Cb 0.53 -1.99 -0.11 0.00 -0.02 0.00 0.00 33.50 31.91 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 -2.46 0.54 -0.80 -0.52 3.64 -1.82 -1.69 116.57 113.45 1khm h LYS 22 Ca -0.59 -0.59 -0.04 0.00 -1.27 0.00 0.00 60.65 58.16 1khm h LYS 22 Cb 1.34 0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 33.30 1khm h LYS 22 CO 0.45 1.21 0.33 0.22 -2.27 0.00 0.00 179.45 179.40 1khm h ASP 23 N 0.11 1.10 1.21 4.20 1.82 -1.92 -2.43 116.42 120.52 1khm h ASP 23 Ca -0.10 -0.16 -0.16 0.00 -0.39 0.00 0.00 57.03 56.21 1khm h ASP 23 Cb 1.51 -0.28 -0.02 0.00 0.68 0.00 0.00 39.33 41.21 1khm h ASP 23 CO 0.16 0.96 -0.75 -0.07 -1.61 0.00 0.00 179.24 177.93 1khm h LEU 24 N 1.17 0.00 -1.14 2.28 3.38 -1.94 -3.18 115.31 115.88 1khm h LEU 24 Ca 0.27 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.29 1khm h LEU 24 Cb 0.20 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.89 1khm h LEU 24 CO -0.02 0.75 0.59 0.00 0.09 0.00 0.00 178.44 179.84 1khm h ALA 25 N 1.25 1.47 -0.04 1.53 0.00 -0.82 -0.77 119.26 121.88 1khm h ALA 25 Ca -0.01 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.68 1khm h ALA 25 Cb 1.56 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1khm h ALA 25 CO 0.10 0.42 -0.78 0.00 0.00 0.00 0.00 179.25 178.99 1khm h ARG 26 N 1.08 0.29 0.00 0.00 3.08 -1.49 -1.48 114.38 115.86 1khm h ARG 26 Ca 0.37 -0.27 -0.08 0.00 0.07 0.00 0.00 59.98 60.07 1khm h ARG 26 Cb 0.10 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 1khm h ARG 26 CO -0.12 0.93 -0.39 0.77 -1.07 0.00 0.00 179.97 180.09 1khm h SER 27 N 0.19 0.00 0.15 7.04 0.02 -1.25 -2.26 113.55 117.44 1khm h SER 27 Ca -0.04 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 60.64 1khm h SER 27 Cb 1.36 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.91 1khm h SER 27 CO 0.13 0.39 -1.33 0.40 -1.14 0.00 0.00 176.83 175.28 1khm h ILE 28 N 0.00 1.15 -0.34 3.27 2.04 -1.02 -3.35 117.51 119.27 1khm h ILE 28 Ca -0.00 -2.48 -0.10 0.00 1.00 0.00 0.00 64.86 63.27 1khm h ILE 28 Cb 0.70 2.87 -0.01 0.00 -0.74 0.00 0.00 36.82 39.63 1khm h ILE 28 CO 0.05 0.74 -0.22 0.40 0.00 0.00 0.00 178.15 179.12 1khm h ILE 29 N -0.21 1.27 0.00 -0.67 2.04 -1.27 -3.40 117.51 115.26 1khm h ILE 29 Ca -0.27 -1.29 0.00 0.00 1.00 0.00 0.00 64.86 64.30 1khm h ILE 29 Cb 1.83 1.25 0.00 0.00 -0.74 0.00 0.00 36.82 39.16 1khm h ILE 29 CO 0.12 0.42 0.00 0.61 0.00 0.00 0.00 178.15 179.30 1khm n GLY 30 N -0.32 -2.42 0.56 5.37 0.00 -0.85 -1.94 105.19 105.60 1khm n GLY 30 Ca 0.00 -1.75 0.14 0.00 0.00 0.00 0.00 46.02 44.41 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 -0.21 1.78 -0.47 1.61 4.01 -1.26 -4.22 118.16 119.39 1khm n LYS 31 Ca 0.00 -1.13 0.00 0.00 -0.51 0.00 0.00 58.31 56.67 1khm n LYS 31 Cb 0.00 -1.48 0.00 0.00 -0.51 0.00 0.00 35.03 33.04 1khm n LYS 31 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1khm n GLY 32 N 1.21 0.79 3.78 0.72 0.00 -1.26 -4.95 105.19 105.48 1khm n GLY 32 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 1.98 0.53 -0.02 0.00 -0.82 -4.79 105.19 102.07 1khm n GLY 33 Ca 0.00 0.00 0.40 0.00 0.00 0.00 0.00 46.02 46.42 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 -1.95 -0.00 0.06 1.61 10.64 -1.25 0.23 117.38 126.71 1khm n GLN 34 Ca 0.00 0.83 -0.15 0.00 -1.83 0.00 0.00 57.00 55.85 1khm n GLN 34 Cb 0.00 -1.89 -0.14 0.00 -0.86 0.00 0.00 30.24 27.35 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 0.20 0.00 2.61 9.65 -1.82 -3.09 114.38 121.93 1khm h ARG 35 Ca 0.71 -0.34 -0.09 0.00 -1.10 0.00 0.00 59.98 59.15 1khm h ARG 35 Cb 2.81 0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 31.51 1khm h ARG 35 CO -0.03 1.05 -0.45 0.82 2.80 0.00 0.00 179.97 184.16 1khm h ILE 36 N 0.05 0.94 -0.06 1.20 1.08 0.26 -2.66 117.51 118.32 1khm h ILE 36 Ca -0.22 -1.83 -0.04 0.00 -0.39 0.00 0.00 64.86 62.38 1khm h ILE 36 Cb 1.99 2.12 0.00 0.00 -3.07 0.00 0.00 36.82 37.86 1khm h ILE 36 CO 0.15 0.44 -0.12 0.11 -0.69 0.00 0.00 178.15 178.04 1khm h LYS 37 N 0.00 0.18 -0.04 2.37 1.57 -1.24 -2.00 116.57 117.40 1khm h LYS 37 Ca -0.00 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1khm h LYS 37 Cb 1.08 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.40 1khm h LYS 37 CO 0.06 0.71 0.03 1.96 -0.57 0.00 0.00 179.45 181.64 1khm h GLN 38 N -0.32 0.06 -0.57 3.15 1.08 -1.54 -1.94 115.11 115.02 1khm h GLN 38 Ca 0.00 -0.00 0.05 0.00 -1.45 0.00 0.00 58.65 57.25 1khm h GLN 38 Cb 0.71 -0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 28.09 1khm h GLN 38 CO 0.03 0.04 0.38 0.82 -0.95 0.00 0.00 178.83 179.15 1khm h ILE 39 N 0.05 1.02 -0.04 2.54 2.04 -1.52 0.17 117.51 121.78 1khm h ILE 39 Ca 0.02 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.68 1khm h ILE 39 Cb -0.00 0.38 -0.00 0.00 -0.74 0.00 0.00 36.82 36.46 1khm h ILE 39 CO -0.00 0.11 0.02 -0.09 0.00 0.00 0.00 178.15 178.19 1khm h ARG 40 N 0.59 0.05 -0.02 2.37 2.43 -0.58 0.82 114.38 120.03 1khm h ARG 40 Ca 0.24 -0.00 -0.24 0.00 -0.81 0.00 0.00 59.98 59.17 1khm h ARG 40 Cb 0.22 -0.01 0.01 0.00 -0.42 0.00 0.00 29.97 29.77 1khm h ARG 40 CO -0.07 0.04 -0.96 1.25 -1.51 0.00 0.00 179.97 178.72 1khm h HIS 41 N 0.04 0.86 -0.54 2.20 2.76 -1.03 0.11 115.15 119.55 1khm h HIS 41 Ca 0.01 -0.45 -0.03 0.00 -2.20 0.00 0.00 60.37 57.70 1khm h HIS 41 Cb 0.00 -0.10 -0.02 0.00 1.55 0.00 0.00 27.41 28.84 1khm h HIS 41 CO -0.07 1.28 0.23 1.49 -1.30 0.00 0.00 177.93 179.55 1khm h GLU 42 N 0.34 0.80 0.00 5.26 4.57 -0.55 -2.95 114.58 122.05 1khm h GLU 42 Ca -0.10 -0.14 -0.06 0.00 -1.18 0.00 0.00 59.36 57.89 1khm h GLU 42 Cb 1.60 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 30.05 1khm h GLU 42 CO 0.18 0.69 -0.86 1.03 -1.18 0.00 0.00 179.01 178.87 1khm h SER 43 N 0.73 0.00 0.00 1.04 0.87 -0.88 -3.47 113.55 111.84 1khm h SER 43 Ca 0.18 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.74 1khm h SER 43 Cb 0.17 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 1khm h SER 43 CO -0.02 0.22 0.00 0.61 -0.53 0.00 0.00 176.83 177.11 1khm n GLY 44 N 1.23 0.89 3.90 5.77 0.00 0.38 -4.74 105.19 112.61 1khm n GLY 44 Ca -0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.65 3.26 -0.03 4.61 0.00 -1.17 -4.98 121.76 119.79 1khm s ALA 45 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 51.96 51.51 1khm s ALA 45 Cb 0.00 -2.74 -0.03 0.00 0.00 0.00 0.00 23.12 20.35 1khm s ALA 45 CO 0.00 -0.63 -0.00 -1.12 0.00 0.00 0.00 175.76 174.01 1khm s SER 46 N -4.20 5.15 -0.01 0.00 0.01 -0.82 -4.68 113.70 109.14 1khm s SER 46 Ca 0.52 0.05 0.01 0.00 1.31 0.00 0.00 55.95 57.83 1khm s SER 46 Cb -0.11 -1.38 0.01 0.00 0.21 0.00 0.00 66.02 64.75 1khm s SER 46 CO 0.48 0.32 -0.01 -0.63 0.41 0.00 0.00 173.24 173.80 1khm s ILE 47 N -1.00 0.14 -0.09 1.44 1.01 -1.26 -1.41 121.20 120.02 1khm s ILE 47 Ca 0.17 -0.01 0.04 0.00 0.00 0.00 0.00 60.65 60.85 1khm s ILE 47 Cb -0.11 -0.16 0.00 0.00 0.01 0.00 0.00 42.46 42.19 1khm s ILE 47 CO 0.07 0.07 -0.22 -0.75 0.00 0.00 0.00 174.94 174.11 1khm s LYS 48 N 0.32 2.83 -0.16 2.79 2.20 -0.69 -4.99 119.74 122.06 1khm s LYS 48 Ca -0.03 -0.81 -0.08 0.00 -0.36 0.00 0.00 55.97 54.69 1khm s LYS 48 Cb -0.05 -2.16 -0.04 0.00 -1.51 0.00 0.00 37.83 34.07 1khm s LYS 48 CO -0.01 0.16 0.13 0.42 -0.36 0.00 0.00 175.35 175.68 1khm s ILE 49 N 0.39 5.38 0.17 5.43 1.01 -1.26 -1.39 121.20 130.93 1khm s ILE 49 Ca -0.18 0.17 -0.06 0.00 0.00 0.00 0.00 60.65 60.58 1khm s ILE 49 Cb -0.18 -3.39 -0.06 0.00 0.01 0.00 0.00 42.46 38.84 1khm s ILE 49 CO 0.08 0.53 0.43 -0.62 0.00 0.00 0.00 174.94 175.36 1khm s ASP 50 N -0.35 6.52 0.60 3.58 2.15 -1.08 -5.01 116.67 123.08 1khm s ASP 50 Ca 0.11 0.67 -0.18 0.00 0.43 0.00 0.00 52.55 53.58 1khm s ASP 50 Cb -0.12 -2.12 -0.03 0.00 -0.30 0.00 0.00 42.92 40.35 1khm s ASP 50 CO 0.01 0.01 1.21 -1.61 -0.17 0.00 0.00 175.17 174.61 1khm s GLU 51 N -2.76 2.91 0.44 4.34 2.02 -1.26 -4.45 118.70 119.93 1khm s GLU 51 Ca 0.43 1.81 -0.26 0.00 0.02 0.00 0.00 54.97 56.97 1khm s GLU 51 Cb -0.12 -1.92 -0.09 0.00 0.10 0.00 0.00 34.13 32.10 1khm s GLU 51 CO 0.24 -1.25 1.45 -1.25 0.02 0.00 0.00 175.26 174.47 1khm s PRO 52 N -3.39 3.75 0.00 0.39 0.04 -1.26 -4.83 135.00 129.70 1khm s PRO 52 Ca 0.77 2.47 -0.28 0.00 0.04 0.00 0.00 61.00 63.99 1khm s PRO 52 Cb -0.30 -2.71 -0.04 0.00 0.04 0.00 0.00 34.50 31.49 1khm s PRO 52 CO 0.34 -0.79 0.91 -0.51 0.04 0.00 0.00 177.00 176.99 1khm s LEU 53 N -2.62 4.38 0.23 -3.56 1.43 -1.26 -4.99 118.68 112.29 1khm s LEU 53 Ca 0.60 1.56 -0.31 0.00 -1.03 0.00 0.00 54.13 54.95 1khm s LEU 53 Cb -0.45 -3.45 -0.11 0.00 0.03 0.00 0.00 46.19 42.22 1khm s LEU 53 CO 0.58 -0.19 1.55 -1.61 0.23 0.00 0.00 176.35 176.91 1khm s GLU 54 N 0.78 4.20 0.00 1.70 8.01 -1.26 -2.43 118.70 129.70 1khm s GLU 54 Ca 0.48 2.43 0.00 0.00 0.01 0.00 0.00 54.97 57.89 1khm s GLU 54 Cb -0.21 -3.09 0.00 0.00 -4.31 0.00 0.00 34.13 26.52 1khm s GLU 54 CO 0.26 -0.57 0.00 0.41 0.01 0.00 0.00 175.26 175.37 1khm n GLY 55 N 2.80 0.82 3.36 -1.39 0.00 -1.26 -5.07 105.19 104.45 1khm n GLY 55 Ca 0.10 -0.29 -0.14 0.00 0.00 0.00 0.00 46.02 45.69 1khm n GLY 55 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1khm s SER 56 N -2.26 -0.45 -0.82 1.61 0.15 -1.02 -5.06 113.70 105.85 1khm s SER 56 Ca 0.00 0.77 -0.01 0.00 0.70 0.00 0.00 55.95 57.41 1khm s SER 56 Cb 0.00 0.80 0.35 0.00 -1.71 0.00 0.00 66.02 65.47 1khm s SER 56 CO 0.00 -0.26 1.87 -1.84 1.20 0.00 0.00 173.24 174.21 1khm n GLU 57 N 2.35 3.22 -3.92 5.44 0.00 -1.26 -4.69 120.64 121.79 1khm n GLU 57 Ca -0.15 -3.83 -0.10 0.00 0.00 0.00 0.00 57.16 53.08 1khm n GLU 57 Cb 0.57 -2.29 -0.09 0.00 0.00 0.00 0.00 31.44 29.62 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 -1.47 0.16 -0.03 -1.84 1.11 -1.26 -2.37 116.67 110.96 1khm s ASP 58 Ca 0.50 -0.50 0.06 0.00 0.18 0.00 0.00 52.55 52.78 1khm s ASP 58 Cb 0.40 0.23 -0.02 0.00 1.07 0.00 0.00 42.92 44.59 1khm s ASP 58 CO -0.35 -0.50 -0.21 -0.13 1.18 0.00 0.00 175.17 175.16 1khm s ARG 59 N -2.53 2.28 0.13 8.23 0.52 -1.07 -4.31 118.95 122.19 1khm s ARG 59 Ca -0.06 -0.84 0.06 0.00 -0.52 0.00 0.00 55.73 54.37 1khm s ARG 59 Cb -0.02 -2.18 -0.04 0.00 0.52 0.00 0.00 34.95 33.24 1khm s ARG 59 CO -0.04 0.58 0.02 0.42 0.02 0.00 0.00 175.30 176.29 1khm s ILE 60 N -0.64 3.97 0.01 1.52 1.01 -1.26 -2.29 121.20 123.52 1khm s ILE 60 Ca 0.10 -1.14 0.00 0.00 0.00 0.00 0.00 60.65 59.61 1khm s ILE 60 Cb -0.10 -2.94 -0.01 0.00 0.01 0.00 0.00 42.46 39.42 1khm s ILE 60 CO -0.00 0.02 -0.02 -0.63 0.00 0.00 0.00 174.94 174.30 1khm s ILE 61 N -1.50 0.13 -0.15 2.92 1.01 -0.16 -2.63 121.20 120.82 1khm s ILE 61 Ca 0.27 -0.28 -0.01 0.00 0.00 0.00 0.00 60.65 60.63 1khm s ILE 61 Cb -0.11 -0.16 -0.01 0.00 0.01 0.00 0.00 42.46 42.19 1khm s ILE 61 CO 0.19 -0.09 -0.12 -0.89 0.00 0.00 0.00 174.94 174.02 1khm s THR 62 N -0.38 2.95 -0.16 2.92 2.01 -0.49 -0.28 115.64 122.22 1khm s THR 62 Ca -0.03 -0.68 -0.05 0.00 0.31 0.00 0.00 61.69 61.24 1khm s THR 62 Cb -0.03 -2.26 -0.03 0.00 0.01 0.00 0.00 72.50 70.19 1khm s THR 62 CO -0.00 0.51 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.80 1khm s ILE 63 N 0.71 4.18 -0.06 1.82 1.01 -0.37 -1.70 121.20 126.79 1khm s ILE 63 Ca -0.06 -0.26 0.03 0.00 0.00 0.00 0.00 60.65 60.36 1khm s ILE 63 Cb -0.15 -2.85 0.01 0.00 0.01 0.00 0.00 42.46 39.48 1khm s ILE 63 CO 0.02 0.49 -0.13 -0.89 0.00 0.00 0.00 174.94 174.43 1khm s THR 64 N 0.33 1.15 -4.21 2.92 2.01 -0.50 -2.45 115.64 114.89 1khm s THR 64 Ca -0.02 -0.50 0.00 0.00 0.31 0.00 0.00 61.69 61.48 1khm s THR 64 Cb -0.14 -1.04 0.00 0.00 0.01 0.00 0.00 72.50 71.34 1khm s THR 64 CO 0.02 0.35 0.00 0.61 -0.69 0.00 0.00 174.62 174.91 1khm n GLY 65 N 3.69 -1.93 3.80 4.40 0.00 -1.17 -1.95 105.19 112.03 1khm n GLY 65 Ca -0.22 -1.21 -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 -2.57 3.75 0.24 2.61 -4.23 -1.26 -3.15 115.64 111.04 1khm s THR 66 Ca 0.00 0.57 -0.07 0.00 -1.18 0.00 0.00 61.69 61.01 1khm s THR 66 Cb 0.00 -3.21 0.27 0.00 1.34 0.00 0.00 72.50 70.90 1khm s THR 66 CO 0.00 -0.74 1.64 -0.61 -0.54 0.00 0.00 174.62 174.37 1khm h GLN 67 N -0.87 0.12 -0.22 3.99 -0.00 -1.95 0.25 115.11 116.43 1khm h GLN 67 Ca -0.44 -0.01 -0.06 0.00 -0.00 0.00 0.00 58.65 58.14 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 0.55 0.08 -0.11 0.22 0.00 0.00 0.00 178.83 179.56 1khm h ASP 68 N 0.12 0.48 -0.66 -0.69 1.82 -1.99 0.47 116.42 115.98 1khm h ASP 68 Ca 0.41 -0.41 0.02 0.00 -0.39 0.00 0.00 57.03 56.66 1khm h ASP 68 Cb 0.72 -0.13 -0.04 0.00 0.68 0.00 0.00 39.33 40.56 1khm h ASP 68 CO -0.64 0.79 0.43 1.56 -1.61 0.00 0.00 179.24 179.78 1khm h GLN 69 N 0.18 0.79 -0.04 0.28 4.20 -1.41 -0.41 115.11 118.70 1khm h GLN 69 Ca 0.05 -0.05 -0.11 0.00 0.06 0.00 0.00 58.65 58.60 1khm h GLN 69 Cb 0.61 -0.18 0.01 0.00 0.30 0.00 0.00 27.48 28.22 1khm h GLN 69 CO 0.03 0.53 -0.42 0.82 -0.67 0.00 0.00 178.83 179.12 1khm h ILE 70 N 0.82 1.44 -0.67 2.54 2.04 -0.38 -2.78 117.51 120.52 1khm h ILE 70 Ca 0.26 -1.88 0.00 0.00 1.00 0.00 0.00 64.86 64.24 1khm h ILE 70 Cb 0.02 2.46 -0.03 0.00 -0.74 0.00 0.00 36.82 38.52 1khm h ILE 70 CO -0.07 0.54 0.43 -0.61 0.00 0.00 0.00 178.15 178.44 1khm h GLN 71 N -0.15 0.89 -0.18 2.37 -0.00 -0.53 0.41 115.11 117.92 1khm h GLN 71 Ca -0.04 -0.06 -0.01 0.00 -0.00 0.00 0.00 58.65 58.54 1khm h GLN 71 Cb 1.11 -0.20 -0.01 0.00 0.00 0.00 0.00 27.48 28.38 1khm h GLN 71 CO 0.09 0.61 0.07 -0.91 0.00 0.00 0.00 178.83 178.68 1khm h ASN 72 N 0.91 0.21 -0.02 -0.69 4.21 -1.13 -2.21 115.58 116.87 1khm h ASN 72 Ca 0.24 -0.01 -0.21 0.00 1.21 0.00 0.00 56.30 57.53 1khm h ASN 72 Cb -0.07 -0.05 0.02 0.00 -1.12 0.00 0.00 38.32 37.09 1khm h ASN 72 CO -0.05 0.20 -0.81 0.00 -1.29 0.00 0.00 177.43 175.48 1khm h ALA 73 N 1.83 0.12 0.13 -0.83 0.00 -0.87 -3.02 119.26 116.63 1khm h ALA 73 Ca 0.06 -0.63 0.01 0.00 0.00 0.00 0.00 54.91 54.35 1khm h ALA 73 Cb 0.06 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1khm h ALA 73 CO -0.01 0.52 -0.15 1.96 0.00 0.00 0.00 179.25 181.57 1khm h GLN 74 N 0.18 -0.32 -0.93 0.00 7.50 -0.41 -0.83 115.11 120.31 1khm h GLN 74 Ca -0.10 0.02 0.10 0.00 0.50 0.00 0.00 58.65 59.17 1khm h GLN 74 Cb 1.48 0.07 -0.07 0.00 0.05 0.00 0.00 27.48 29.02 1khm h GLN 74 CO 0.16 -0.21 0.60 -0.92 -1.50 0.00 0.00 178.83 176.96 1khm h TYR 75 N -0.33 1.03 0.00 2.96 5.03 -1.51 0.25 116.97 124.40 1khm h TYR 75 Ca 0.01 0.03 -0.03 0.00 2.58 0.00 0.00 58.73 61.32 1khm h TYR 75 Cb 0.32 -0.33 -0.00 0.00 1.55 0.00 0.00 36.73 38.27 1khm h TYR 75 CO -0.14 0.47 -0.12 -0.07 -1.32 0.00 0.00 178.16 176.98 1khm h LEU 76 N 0.96 0.00 0.10 2.82 3.38 -1.26 -1.49 115.31 119.82 1khm h LEU 76 Ca 0.43 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.25 1khm h LEU 76 Cb 0.38 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.15 1khm h LEU 76 CO -0.19 0.12 -0.64 -0.07 0.09 0.00 0.00 178.44 177.75 1khm h LEU 77 N 0.00 0.39 -1.01 1.67 3.38 0.83 -1.81 115.31 118.76 1khm h LEU 77 Ca -0.00 -0.94 -0.03 0.00 0.09 0.00 0.00 57.88 57.00 1khm h LEU 77 Cb 0.64 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 1khm h LEU 77 CO 0.02 1.29 0.35 -0.61 0.09 0.00 0.00 178.44 179.58 1khm h GLN 78 N -0.46 1.05 0.00 1.13 5.75 -0.87 -2.15 115.11 119.57 1khm h GLN 78 Ca -0.11 -0.15 -0.08 0.00 -0.15 0.00 0.00 58.65 58.16 1khm h GLN 78 Cb 1.48 -0.19 -0.01 0.00 1.07 0.00 0.00 27.48 29.83 1khm h GLN 78 CO 0.12 0.82 -0.39 -0.97 -2.65 0.00 0.00 178.83 175.76 1khm h ASN 79 N 1.05 0.00 -0.51 -0.69 -0.73 -1.35 -3.13 115.58 110.22 1khm h ASN 79 Ca 0.25 0.00 -0.05 0.00 1.87 0.00 0.00 56.30 58.37 1khm h ASN 79 Cb 0.12 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 38.68 1khm h ASN 79 CO -0.03 0.39 0.14 0.77 -0.37 0.00 0.00 177.43 178.33 1khm h SER 80 N 0.00 0.80 -0.98 1.15 4.64 -0.65 -2.34 113.55 116.17 1khm h SER 80 Ca -0.00 -0.14 0.21 0.00 -0.47 0.00 0.00 61.79 61.38 1khm h SER 80 Cb 1.23 -0.21 -0.11 0.00 -0.31 0.00 0.00 62.40 63.00 1khm h SER 80 CO 0.05 0.78 0.56 0.58 -0.87 0.00 0.00 176.83 177.93 1khm h VAL 81 N 0.82 0.63 -0.15 0.95 2.07 -1.45 0.21 116.25 119.33 1khm h VAL 81 Ca 0.18 -0.22 0.04 0.00 0.82 0.00 0.00 66.70 67.52 1khm h VAL 81 Cb 0.29 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 29.97 1khm h VAL 81 CO -0.00 0.12 0.19 0.11 0.02 0.00 0.00 177.57 178.01 1khm h LYS 82 N 0.65 0.00 0.00 1.57 1.57 -1.56 0.43 116.57 119.23 1khm h LYS 82 Ca 0.59 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.37 1khm h LYS 82 Cb 0.99 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.30 1khm h LYS 82 CO -0.43 0.00 0.06 1.04 -0.57 0.00 0.00 179.45 179.56 1khm n GLN 83 N -3.70 0.03 -0.53 3.15 3.00 0.74 -1.14 117.38 118.94 1khm n GLN 83 Ca 0.01 0.49 -0.13 0.00 -0.01 0.00 0.00 57.00 57.36 1khm n GLN 83 Cb 0.30 -1.67 -0.04 0.00 0.00 0.00 0.00 30.24 28.83 1khm n GLN 83 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.06 178.04 1khm n TYR 84 N -1.64 0.64 -0.60 1.08 9.36 0.15 -4.35 117.16 121.80 1khm n TYR 84 Ca -0.00 -1.26 0.00 0.00 3.32 0.00 0.00 57.90 59.96 1khm n TYR 84 Cb 0.07 -1.24 0.00 0.00 -0.63 0.00 0.00 39.34 37.54 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 3.71 -2.21 0.00 2.98 7.64 -1.21 -4.81 113.62 119.72 1khm n SER 85 Ca 0.29 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.17 1khm n SER 85 Cb 0.23 -2.50 0.00 0.00 -1.01 0.00 0.00 64.21 60.93 1khm n SER 85 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1khm n GLY 86 N -0.49 -1.82 3.66 0.23 0.00 -0.29 -3.49 105.19 102.99 1khm n GLY 86 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1khm n GLY 86 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1khm n LYS 87 N -0.71 2.82 -2.92 1.61 2.85 -1.10 -3.71 118.16 117.00 1khm n LYS 87 Ca 0.00 1.04 -0.00 0.00 -1.05 0.00 0.00 58.31 58.29 1khm n LYS 87 Cb 0.00 -2.98 -0.00 0.00 -0.65 0.00 0.00 35.03 31.39 1khm n LYS 87 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 1khm n PHE 88 N 7.44 -2.24 0.00 5.58 3.01 -1.26 -4.97 117.46 125.02 1khm n PHE 88 Ca 0.20 1.03 0.00 0.00 1.01 0.00 0.00 57.45 59.69 1khm n PHE 88 Cb 0.40 -2.66 0.00 0.00 -0.01 0.00 0.00 39.48 37.21 1khm n PHE 88 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11