#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1khm s SER 2 N 0.00 -0.16 0.35 1.61 0.15 -1.26 -5.03 113.70 109.37 1khm s SER 2 Ca 0.00 -0.04 0.03 0.00 0.70 0.00 0.00 55.95 56.64 1khm s SER 2 Cb 0.00 0.20 0.67 0.00 -1.71 0.00 0.00 66.02 65.17 1khm s SER 2 CO 0.00 -0.33 1.99 1.55 1.20 0.00 0.00 173.24 177.65 1khm h PRO 3 N 2.00 0.81 -6.46 5.44 0.13 -2.12 -3.42 132.00 128.38 1khm h PRO 3 Ca -0.15 -0.05 -0.62 0.00 -0.87 0.00 0.00 66.00 64.31 1khm h PRO 3 Cb 1.19 -0.18 0.08 0.00 0.13 0.00 0.00 31.00 32.22 1khm h PRO 3 CO 0.25 0.54 0.42 0.09 -0.23 0.00 0.00 178.00 179.06 1khm n ASN 4 N -4.45 1.98 -3.58 1.44 3.02 -1.26 -4.96 115.26 107.46 1khm n ASN 4 Ca 0.08 1.14 -0.10 0.00 -0.03 0.00 0.00 54.58 55.67 1khm n ASN 4 Cb 0.11 -1.32 -0.05 0.00 -0.61 0.00 0.00 39.78 37.91 1khm n ASN 4 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1khm s SER 5 N 0.10 -0.36 -1.18 6.41 0.15 -1.26 -4.91 113.70 112.64 1khm s SER 5 Ca 0.70 0.38 0.00 0.00 0.70 0.00 0.00 55.95 57.73 1khm s SER 5 Cb -0.75 0.30 0.00 0.00 -1.71 0.00 0.00 66.02 63.86 1khm s SER 5 CO 0.52 -0.34 0.00 -1.22 1.20 0.00 0.00 173.24 173.39 1khm n TYR 6 N 0.69 -0.65 0.02 3.44 4.01 -1.26 -4.71 117.16 118.70 1khm n TYR 6 Ca -0.10 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.65 1khm n TYR 6 Cb 0.58 -2.43 0.05 0.00 -0.31 0.00 0.00 39.34 37.23 1khm n TYR 6 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1khm n GLY 7 N -0.33 -0.54 1.66 2.72 0.00 -1.26 -4.93 105.19 102.52 1khm n GLY 7 Ca -0.12 0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1khm n GLY 7 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1khm n ASP 8 N -1.56 -8.94 0.02 1.61 -0.08 -1.26 -4.80 116.55 101.53 1khm n ASP 8 Ca -0.00 1.54 0.11 0.00 -1.51 0.00 0.00 54.79 54.92 1khm n ASP 8 Cb 0.01 -5.19 -0.06 0.00 2.34 0.00 0.00 41.12 38.21 1khm n ASP 8 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1khm n LEU 9 N -1.50 0.51 0.00 -2.67 4.77 -1.26 -4.93 117.00 111.91 1khm n LEU 9 Ca 0.00 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 1khm n LEU 9 Cb 0.17 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1khm n LEU 9 CO 0.00 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.71 1khm n GLY 10 N 1.34 1.64 0.00 -0.72 0.00 -1.26 -4.78 105.19 101.41 1khm n GLY 10 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.00 2.16 3.77 -0.02 0.00 -1.26 -5.13 105.19 102.71 1khm n GLY 11 Ca 0.00 -1.03 -0.40 0.00 0.00 0.00 0.00 46.02 44.59 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 4.03 0.25 1.61 0.04 -1.26 -4.99 135.00 132.68 1khm s PRO 12 Ca 0.00 2.28 -0.27 0.00 0.04 0.00 0.00 61.00 63.05 1khm s PRO 12 Cb 0.00 -2.84 -0.09 0.00 0.04 0.00 0.00 34.50 31.61 1khm s PRO 12 CO 0.00 -0.49 0.90 0.42 0.04 0.00 0.00 177.00 177.88 1khm s ILE 13 N -1.20 4.19 0.09 0.56 -1.09 -1.26 -4.76 121.20 117.72 1khm s ILE 13 Ca 0.55 1.90 0.08 0.00 -2.23 0.00 0.00 60.65 60.96 1khm s ILE 13 Cb -0.41 -4.17 -0.03 0.00 -1.58 0.00 0.00 42.46 36.27 1khm s ILE 13 CO 0.53 0.37 -0.22 -0.63 -1.23 0.00 0.00 174.94 173.77 1khm s ILE 14 N -1.33 1.82 -0.03 2.92 1.01 -1.18 -5.01 121.20 119.40 1khm s ILE 14 Ca 0.43 -1.48 0.04 0.00 0.00 0.00 0.00 60.65 59.65 1khm s ILE 14 Cb -0.23 -1.62 -0.01 0.00 0.01 0.00 0.00 42.46 40.62 1khm s ILE 14 CO 0.28 0.06 -0.15 -0.89 0.00 0.00 0.00 174.94 174.24 1khm s THR 15 N -1.02 1.25 0.01 2.92 2.01 -1.26 -3.17 115.64 116.37 1khm s THR 15 Ca 0.08 -0.65 0.00 0.00 0.31 0.00 0.00 61.69 61.44 1khm s THR 15 Cb -0.10 -1.06 -0.01 0.00 0.01 0.00 0.00 72.50 71.34 1khm s THR 15 CO 0.04 0.36 -0.02 0.28 -0.69 0.00 0.00 174.62 174.59 1khm s THR 16 N -0.13 0.11 0.02 -0.82 -1.32 -1.07 -5.00 115.64 107.43 1khm s THR 16 Ca 0.01 -0.43 0.03 0.00 -1.21 0.00 0.00 61.69 60.09 1khm s THR 16 Cb -0.09 -0.17 -0.04 0.00 -1.51 0.00 0.00 72.50 70.70 1khm s THR 16 CO 0.01 -0.20 -0.03 -1.10 -2.21 0.00 0.00 174.62 171.08 1khm s GLN 17 N -0.66 2.63 0.12 7.08 -0.21 -1.26 -1.46 119.66 125.90 1khm s GLN 17 Ca -0.06 -0.70 0.08 0.00 0.02 0.00 0.00 55.36 54.70 1khm s GLN 17 Cb -0.05 -2.57 -0.04 0.00 1.00 0.00 0.00 33.01 31.36 1khm s GLN 17 CO -0.00 0.60 -0.21 0.08 -2.12 0.00 0.00 175.29 173.64 1khm s VAL 18 N -1.08 1.75 -0.07 1.09 1.01 0.14 -4.94 120.40 118.29 1khm s VAL 18 Ca 0.19 -1.62 0.02 0.00 0.00 0.00 0.00 61.98 60.57 1khm s VAL 18 Cb -0.11 -1.63 0.01 0.00 0.00 0.00 0.00 36.38 34.65 1khm s VAL 18 CO 0.10 -0.11 -0.14 -0.89 0.00 0.00 0.00 175.10 174.06 1khm s THR 19 N -1.34 1.32 0.01 3.92 2.01 -1.26 -0.41 115.64 119.88 1khm s THR 19 Ca 0.08 -0.58 0.06 0.00 0.31 0.00 0.00 61.69 61.56 1khm s THR 19 Cb -0.09 -1.19 -0.02 0.00 0.01 0.00 0.00 72.50 71.21 1khm s THR 19 CO 0.05 0.40 -0.18 0.27 -0.69 0.00 0.00 174.62 174.46 1khm s ILE 20 N 0.64 1.43 0.40 1.82 -5.25 -0.98 -5.01 121.20 114.25 1khm s ILE 20 Ca -0.15 -0.89 -0.26 0.00 -0.99 0.00 0.00 60.65 58.36 1khm s ILE 20 Cb -0.16 -1.21 -0.10 0.00 2.95 0.00 0.00 42.46 43.93 1khm s ILE 20 CO 0.04 0.30 1.28 -2.65 -1.79 0.00 0.00 174.94 172.12 1khm n PRO 21 N 2.36 1.99 -0.33 0.37 -0.02 -1.26 -2.98 135.00 135.14 1khm n PRO 21 Ca -0.16 0.70 0.16 0.00 -2.02 0.00 0.00 63.50 62.19 1khm n PRO 21 Cb 0.54 -2.37 0.36 0.00 -0.02 0.00 0.00 33.50 32.01 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 2.22 0.47 -0.58 -0.52 3.64 -1.77 0.53 116.57 120.56 1khm h LYS 22 Ca -0.47 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 58.87 1khm h LYS 22 Cb 1.29 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.98 1khm h LYS 22 CO 0.61 0.31 0.31 -0.44 -2.27 0.00 0.00 179.45 177.97 1khm h ASP 23 N 0.48 0.73 1.02 4.20 5.19 -1.88 -2.27 116.42 123.89 1khm h ASP 23 Ca 0.62 -0.10 -0.18 0.00 -0.62 0.00 0.00 57.03 56.74 1khm h ASP 23 Cb 1.20 -0.19 -0.03 0.00 0.18 0.00 0.00 39.33 40.49 1khm h ASP 23 CO -0.51 0.62 -0.87 -0.07 -3.12 0.00 0.00 179.24 175.29 1khm h LEU 24 N 0.78 0.00 -0.94 1.55 4.07 -1.51 -3.12 115.31 116.14 1khm h LEU 24 Ca 0.20 0.00 0.08 0.00 0.08 0.00 0.00 57.88 58.25 1khm h LEU 24 Cb 0.06 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 41.73 1khm h LEU 24 CO -0.03 0.87 0.59 0.00 -1.08 0.00 0.00 178.44 178.79 1khm h ALA 25 N 1.13 1.35 -0.02 1.53 0.00 0.45 -0.44 119.26 123.26 1khm h ALA 25 Ca -0.01 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.72 1khm h ALA 25 Cb 1.62 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 1khm h ALA 25 CO 0.11 0.29 -0.79 0.00 0.00 0.00 0.00 179.25 178.87 1khm h ARG 26 N 1.02 0.19 0.00 0.00 3.08 -1.43 -1.80 114.38 115.45 1khm h ARG 26 Ca 0.43 -0.18 -0.05 0.00 0.07 0.00 0.00 59.98 60.26 1khm h ARG 26 Cb 0.29 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 1khm h ARG 26 CO -0.21 0.88 -0.22 0.66 -1.07 0.00 0.00 179.97 180.01 1khm h SER 27 N 0.12 0.00 0.11 7.04 4.64 -1.10 -2.21 113.55 122.14 1khm h SER 27 Ca -0.03 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.95 1khm h SER 27 Cb 1.37 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.45 1khm h SER 27 CO 0.12 0.22 -1.82 0.40 -0.87 0.00 0.00 176.83 174.88 1khm h ILE 28 N 0.00 0.72 -0.37 0.95 2.04 -0.94 -3.37 117.51 116.54 1khm h ILE 28 Ca -0.00 -2.33 -0.12 0.00 1.00 0.00 0.00 64.86 63.41 1khm h ILE 28 Cb 0.60 2.49 -0.01 0.00 -0.74 0.00 0.00 36.82 39.16 1khm h ILE 28 CO 0.03 0.79 -0.26 0.40 0.00 0.00 0.00 178.15 179.11 1khm h ILE 29 N -0.12 1.27 0.00 -0.67 2.04 -1.33 -3.40 117.51 115.31 1khm h ILE 29 Ca -0.40 -1.38 0.00 0.00 1.00 0.00 0.00 64.86 64.08 1khm h ILE 29 Cb 1.91 1.27 0.00 0.00 -0.74 0.00 0.00 36.82 39.25 1khm h ILE 29 CO 0.05 0.46 0.00 0.61 0.00 0.00 0.00 178.15 179.26 1khm n GLY 30 N -0.18 -2.43 0.29 5.37 0.00 -0.83 -2.19 105.19 105.21 1khm n GLY 30 Ca -0.00 -1.78 0.13 0.00 0.00 0.00 0.00 46.02 44.37 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 -0.19 0.94 -0.56 1.61 5.02 -1.26 -4.22 118.16 119.50 1khm n LYS 31 Ca 0.00 -0.59 -0.00 0.00 -2.02 0.00 0.00 58.31 55.70 1khm n LYS 31 Cb 0.00 -1.49 -0.00 0.00 -0.02 0.00 0.00 35.03 33.52 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 1.34 0.74 3.97 0.72 0.00 -1.26 -4.95 105.19 105.74 1khm n GLY 32 Ca 0.12 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 0.02 1.66 0.50 -0.02 0.00 -0.93 -4.77 105.19 101.65 1khm n GLY 33 Ca -0.01 0.00 0.32 0.00 0.00 0.00 0.00 46.02 46.33 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 -1.94 0.01 0.03 1.61 6.02 -1.25 0.20 117.38 122.06 1khm n GLN 34 Ca 0.00 0.87 -0.14 0.00 -0.01 0.00 0.00 57.00 57.71 1khm n GLN 34 Cb 0.00 -2.09 -0.14 0.00 1.02 0.00 0.00 30.24 29.03 1khm n GLN 34 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 1khm h ARG 35 N 0.00 0.16 0.00 -1.09 9.65 -1.83 -3.09 114.38 118.19 1khm h ARG 35 Ca 0.56 -0.28 -0.12 0.00 -1.10 0.00 0.00 59.98 59.03 1khm h ARG 35 Cb 2.72 0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 31.39 1khm h ARG 35 CO -0.01 0.96 -0.59 0.82 2.80 0.00 0.00 179.97 183.95 1khm h ILE 36 N 0.04 1.17 -0.02 1.20 1.08 0.21 -2.86 117.51 118.33 1khm h ILE 36 Ca -0.26 -2.23 -0.02 0.00 -0.39 0.00 0.00 64.86 61.96 1khm h ILE 36 Cb 1.99 2.30 0.00 0.00 -3.07 0.00 0.00 36.82 38.04 1khm h ILE 36 CO 0.13 0.58 -0.08 0.11 -0.69 0.00 0.00 178.15 178.19 1khm h LYS 37 N 0.00 0.09 0.39 2.37 1.57 -1.33 -2.77 116.57 116.89 1khm h LYS 37 Ca -0.01 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1khm h LYS 37 Cb 1.25 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.57 1khm h LYS 37 CO 0.08 0.73 -0.27 0.37 -0.57 0.00 0.00 179.45 179.79 1khm h GLN 38 N -0.53 -0.62 -0.97 3.15 4.15 -1.59 -1.34 115.11 117.37 1khm h GLN 38 Ca -0.01 0.04 0.26 0.00 0.77 0.00 0.00 58.65 59.72 1khm h GLN 38 Cb 0.74 0.14 -0.06 0.00 0.21 0.00 0.00 27.48 28.52 1khm h GLN 38 CO 0.02 -0.41 0.67 0.82 -1.93 0.00 0.00 178.83 178.00 1khm h ILE 39 N -0.64 0.55 -0.65 2.39 2.04 -1.60 0.29 117.51 119.89 1khm h ILE 39 Ca -0.04 -0.06 -0.04 0.00 1.00 0.00 0.00 64.86 65.73 1khm h ILE 39 Cb 0.54 0.37 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 1khm h ILE 39 CO 0.02 0.03 0.27 -0.09 0.00 0.00 0.00 178.15 178.38 1khm h ARG 40 N 0.17 0.96 0.21 2.37 2.43 -0.94 -0.88 114.38 118.69 1khm h ARG 40 Ca 0.49 -0.15 -0.35 0.00 -0.81 0.00 0.00 59.98 59.16 1khm h ARG 40 Cb 1.63 -0.17 0.02 0.00 -0.42 0.00 0.00 29.97 31.04 1khm h ARG 40 CO -0.10 0.78 -1.67 0.45 -1.51 0.00 0.00 179.97 177.92 1khm h HIS 41 N 0.94 0.79 -0.56 2.20 3.86 -0.29 -1.67 115.15 120.43 1khm h HIS 41 Ca 0.22 -0.58 -0.07 0.00 -1.16 0.00 0.00 60.37 58.78 1khm h HIS 41 Cb 0.17 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 28.59 1khm h HIS 41 CO 0.01 1.64 0.07 0.93 0.86 0.00 0.00 177.93 181.44 1khm h GLU 42 N 0.12 0.94 0.00 2.45 5.08 -1.13 -3.11 114.58 118.93 1khm h GLU 42 Ca -0.32 -0.26 -0.11 0.00 -1.00 0.00 0.00 59.36 57.67 1khm h GLU 42 Cb 2.12 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 31.25 1khm h GLU 42 CO 0.21 0.91 -1.03 0.66 -1.00 0.00 0.00 179.01 178.76 1khm h SER 43 N 0.83 0.00 0.00 1.42 4.64 -1.30 -3.47 113.55 115.67 1khm h SER 43 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1khm h SER 43 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 1khm h SER 43 CO 0.02 0.42 0.00 0.61 -0.87 0.00 0.00 176.83 177.01 1khm n GLY 44 N 1.30 0.77 3.89 -0.77 0.00 -0.63 -4.81 105.19 104.95 1khm n GLY 44 Ca -0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.27 3.25 -0.08 4.61 0.00 -1.23 -5.00 121.76 120.03 1khm s ALA 45 Ca 0.00 -0.38 -0.01 0.00 0.00 0.00 0.00 51.96 51.57 1khm s ALA 45 Cb 0.00 -2.79 -0.03 0.00 0.00 0.00 0.00 23.12 20.30 1khm s ALA 45 CO 0.00 -0.59 -0.03 0.45 0.00 0.00 0.00 175.76 175.59 1khm s SER 46 N -4.18 4.97 -0.01 0.00 0.15 -0.91 -4.68 113.70 109.04 1khm s SER 46 Ca 0.52 0.06 0.01 0.00 0.70 0.00 0.00 55.95 57.24 1khm s SER 46 Cb -0.11 -1.37 0.01 0.00 -1.71 0.00 0.00 66.02 62.84 1khm s SER 46 CO 0.49 0.36 -0.03 -0.63 1.20 0.00 0.00 173.24 174.62 1khm s ILE 47 N -0.77 0.32 -0.10 6.45 1.01 -1.26 -1.15 121.20 125.70 1khm s ILE 47 Ca 0.12 -0.12 0.03 0.00 0.00 0.00 0.00 60.65 60.69 1khm s ILE 47 Cb -0.11 -0.31 0.01 0.00 0.01 0.00 0.00 42.46 42.05 1khm s ILE 47 CO 0.02 0.12 -0.20 -0.75 0.00 0.00 0.00 174.94 174.12 1khm s LYS 48 N 0.25 2.69 -0.14 2.79 2.20 -0.61 -4.99 119.74 121.93 1khm s LYS 48 Ca -0.02 -0.75 -0.09 0.00 -0.36 0.00 0.00 55.97 54.74 1khm s LYS 48 Cb -0.06 -2.10 -0.05 0.00 -1.51 0.00 0.00 37.83 34.12 1khm s LYS 48 CO -0.00 0.10 0.17 0.42 -0.36 0.00 0.00 175.35 175.68 1khm s ILE 49 N 0.54 5.42 0.10 5.43 1.01 -1.26 -1.48 121.20 130.95 1khm s ILE 49 Ca -0.15 0.29 -0.05 0.00 0.00 0.00 0.00 60.65 60.74 1khm s ILE 49 Cb -0.17 -3.47 -0.05 0.00 0.01 0.00 0.00 42.46 38.78 1khm s ILE 49 CO 0.05 0.53 0.33 -0.62 0.00 0.00 0.00 174.94 175.24 1khm s ASP 50 N -0.40 6.48 0.57 3.58 -1.08 -0.96 -5.01 116.67 119.85 1khm s ASP 50 Ca 0.13 0.55 -0.20 0.00 -0.52 0.00 0.00 52.55 52.52 1khm s ASP 50 Cb -0.12 -2.08 -0.04 0.00 -1.46 0.00 0.00 42.92 39.22 1khm s ASP 50 CO 0.03 0.12 1.21 -1.83 0.52 0.00 0.00 175.17 175.22 1khm s GLU 51 N -2.40 3.11 0.44 4.34 -1.05 -1.26 -4.38 118.70 117.50 1khm s GLU 51 Ca 0.37 1.84 -0.25 0.00 -0.15 0.00 0.00 54.97 56.78 1khm s GLU 51 Cb -0.13 -2.02 -0.08 0.00 -0.44 0.00 0.00 34.13 31.46 1khm s GLU 51 CO 0.23 -1.10 1.38 -1.25 0.95 0.00 0.00 175.26 175.48 1khm s PRO 52 N -3.21 3.74 0.11 -4.83 0.04 -1.26 -4.84 135.00 124.75 1khm s PRO 52 Ca 0.75 2.32 -0.30 0.00 0.04 0.00 0.00 61.00 63.81 1khm s PRO 52 Cb -0.31 -2.66 -0.06 0.00 0.04 0.00 0.00 34.50 31.51 1khm s PRO 52 CO 0.34 -0.74 1.07 -0.51 0.04 0.00 0.00 177.00 177.21 1khm s LEU 53 N -2.68 4.45 0.28 -3.56 1.43 -1.26 -4.97 118.68 112.37 1khm s LEU 53 Ca 0.60 1.95 -0.30 0.00 -1.03 0.00 0.00 54.13 55.35 1khm s LEU 53 Cb -0.42 -3.59 -0.12 0.00 0.03 0.00 0.00 46.19 42.09 1khm s LEU 53 CO 0.53 -0.24 1.55 1.21 0.23 0.00 0.00 176.35 179.63 1khm n GLU 54 N 2.99 2.52 -1.71 1.70 2.13 -1.26 -2.89 120.64 124.12 1khm n GLU 54 Ca 0.04 0.90 0.00 0.00 0.66 0.00 0.00 57.16 58.76 1khm n GLU 54 Cb 0.47 -2.65 0.00 0.00 0.27 0.00 0.00 31.44 29.54 1khm n GLU 54 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1khm n GLY 55 N 2.19 0.97 3.83 8.31 0.00 -1.26 -5.07 105.19 114.15 1khm n GLY 55 Ca 0.09 -0.48 -0.08 0.00 0.00 0.00 0.00 46.02 45.55 1khm n GLY 55 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1khm s SER 56 N -2.69 -0.11 -0.29 1.61 0.01 -1.14 -5.07 113.70 106.01 1khm s SER 56 Ca 0.00 -0.91 0.20 0.00 1.31 0.00 0.00 55.95 56.55 1khm s SER 56 Cb 0.00 0.80 0.49 0.00 0.21 0.00 0.00 66.02 67.51 1khm s SER 56 CO 0.00 -1.54 1.06 -1.84 0.41 0.00 0.00 173.24 171.33 1khm n GLU 57 N -0.50 1.70 -4.01 12.44 0.28 -1.26 -4.93 120.64 124.35 1khm n GLU 57 Ca -0.06 -3.50 -0.08 0.00 -0.16 0.00 0.00 57.16 53.36 1khm n GLU 57 Cb 0.59 -1.54 -0.10 0.00 1.43 0.00 0.00 31.44 31.82 1khm n GLU 57 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1khm s ASP 58 N -3.54 0.32 -0.02 -1.84 1.11 -1.26 -2.11 116.67 109.33 1khm s ASP 58 Ca 0.29 -0.69 0.07 0.00 0.18 0.00 0.00 52.55 52.41 1khm s ASP 58 Cb 0.38 0.16 -0.02 0.00 1.07 0.00 0.00 42.92 44.50 1khm s ASP 58 CO -0.01 -0.44 -0.23 -0.13 1.18 0.00 0.00 175.17 175.53 1khm s ARG 59 N -2.52 2.19 -0.03 8.23 0.52 -1.16 -4.43 118.95 121.74 1khm s ARG 59 Ca -0.06 -0.88 0.02 0.00 -0.52 0.00 0.00 55.73 54.29 1khm s ARG 59 Cb -0.02 -2.11 -0.03 0.00 0.52 0.00 0.00 34.95 33.31 1khm s ARG 59 CO -0.05 0.57 -0.08 0.42 0.02 0.00 0.00 175.30 176.19 1khm s ILE 60 N -0.64 3.58 0.02 1.52 1.01 -1.26 -2.31 121.20 123.12 1khm s ILE 60 Ca 0.10 -0.67 0.07 0.00 0.00 0.00 0.00 60.65 60.15 1khm s ILE 60 Cb -0.10 -2.50 -0.02 0.00 0.01 0.00 0.00 42.46 39.85 1khm s ILE 60 CO -0.01 0.49 -0.20 -0.63 0.00 0.00 0.00 174.94 174.60 1khm s ILE 61 N -0.89 1.58 -0.17 2.92 1.01 0.45 -2.26 121.20 123.84 1khm s ILE 61 Ca 0.15 -1.06 0.00 0.00 0.00 0.00 0.00 60.65 59.74 1khm s ILE 61 Cb -0.11 -1.36 0.01 0.00 0.01 0.00 0.00 42.46 41.01 1khm s ILE 61 CO 0.04 0.27 -0.17 -0.89 0.00 0.00 0.00 174.94 174.19 1khm s THR 62 N -0.68 2.43 -0.16 2.92 2.01 -0.55 0.28 115.64 121.88 1khm s THR 62 Ca 0.07 -0.84 -0.07 0.00 0.31 0.00 0.00 61.69 61.16 1khm s THR 62 Cb -0.08 -2.02 -0.04 0.00 0.01 0.00 0.00 72.50 70.36 1khm s THR 62 CO 0.01 0.52 0.08 -0.63 -0.69 0.00 0.00 174.62 173.91 1khm s ILE 63 N 1.06 4.98 -0.06 1.82 1.01 -0.53 -1.57 121.20 127.90 1khm s ILE 63 Ca -0.01 0.03 0.02 0.00 0.00 0.00 0.00 60.65 60.69 1khm s ILE 63 Cb -0.14 -3.22 0.01 0.00 0.01 0.00 0.00 42.46 39.12 1khm s ILE 63 CO -0.05 0.51 -0.10 -0.89 0.00 0.00 0.00 174.94 174.40 1khm s THR 64 N -0.05 0.96 -4.42 2.92 2.01 -0.30 -2.59 115.64 114.18 1khm s THR 64 Ca 0.07 -0.38 0.00 0.00 0.31 0.00 0.00 61.69 61.69 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 0.00 174.62 174.86 1khm n GLY 65 N 3.84 -1.74 3.80 4.40 0.00 -1.19 -2.15 105.19 112.15 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 -2.73 3.70 0.25 2.61 -4.23 -1.26 -3.13 115.64 110.86 1khm s THR 66 Ca 0.00 0.57 -0.05 0.00 -1.18 0.00 0.00 61.69 61.03 1khm s THR 66 Cb 0.00 -3.19 0.28 0.00 1.34 0.00 0.00 72.50 70.93 1khm s THR 66 CO 0.00 -0.70 1.64 -0.61 -0.54 0.00 0.00 174.62 174.41 1khm h GLN 67 N -0.80 0.13 -0.21 3.99 -0.00 -1.94 0.21 115.11 116.50 1khm h GLN 67 Ca -0.44 -0.01 -0.06 0.00 -0.00 0.00 0.00 58.65 58.15 1khm h GLN 67 Cb 1.22 -0.03 -0.01 0.00 0.00 0.00 0.00 27.48 28.66 1khm h GLN 67 CO 0.54 0.09 -0.09 -0.44 0.00 0.00 0.00 178.83 178.93 1khm h ASP 68 N 0.14 0.44 -0.77 -0.69 3.32 -1.99 -0.72 116.42 116.15 1khm h ASP 68 Ca 0.44 -0.41 0.03 0.00 0.02 0.00 0.00 57.03 57.11 1khm h ASP 68 Cb 0.79 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 40.17 1khm h ASP 68 CO -0.65 0.75 0.51 1.56 -1.72 0.00 0.00 179.24 179.69 1khm h GLN 69 N 0.13 0.92 -0.15 3.56 4.20 -1.39 -0.51 115.11 121.88 1khm h GLN 69 Ca 0.05 -0.06 -0.08 0.00 0.06 0.00 0.00 58.65 58.62 1khm h GLN 69 Cb 0.58 -0.21 -0.00 0.00 0.30 0.00 0.00 27.48 28.15 1khm h GLN 69 CO 0.03 0.61 -0.21 0.82 -0.67 0.00 0.00 178.83 179.41 1khm h ILE 70 N 0.95 1.36 -0.68 2.54 2.04 -0.48 -2.21 117.51 121.03 1khm h ILE 70 Ca 0.31 -1.43 0.00 0.00 1.00 0.00 0.00 64.86 64.74 1khm h ILE 70 Cb 0.04 1.95 -0.03 0.00 -0.74 0.00 0.00 36.82 38.04 1khm h ILE 70 CO -0.09 0.42 0.42 -0.61 0.00 0.00 0.00 178.15 178.30 1khm h GLN 71 N 0.02 0.91 -0.39 2.37 4.15 -0.64 0.48 115.11 122.00 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 0.78 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 28.25 1khm h GLN 71 CO 0.05 0.63 0.10 -0.91 -1.93 0.00 0.00 178.83 176.77 1khm h ASN 72 N 0.92 0.51 0.00 -0.69 4.21 -1.09 -0.73 115.58 118.71 1khm h ASN 72 Ca 0.24 -0.07 -0.11 0.00 1.21 0.00 0.00 56.30 57.58 1khm h ASN 72 Cb -0.06 -0.13 0.01 0.00 -1.12 0.00 0.00 38.32 37.02 1khm h ASN 72 CO -0.05 0.51 -0.42 0.00 -1.29 0.00 0.00 177.43 176.18 1khm h ALA 73 N 1.57 0.05 -0.73 -0.83 0.00 -0.61 -2.81 119.26 115.89 1khm h ALA 73 Ca 0.13 -0.52 0.01 0.00 0.00 0.00 0.00 54.91 54.53 1khm h ALA 73 Cb 0.19 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1khm h ALA 73 CO -0.01 0.21 0.48 1.96 0.00 0.00 0.00 179.25 181.90 1khm h GLN 74 N -0.32 0.94 -0.17 0.00 4.20 0.18 -1.41 115.11 118.52 1khm h GLN 74 Ca -0.05 -0.06 -0.15 0.00 0.06 0.00 0.00 58.65 58.45 1khm h GLN 74 Cb 1.16 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 28.72 1khm h GLN 74 CO 0.08 0.62 -0.52 -0.92 -0.67 0.00 0.00 178.83 177.43 1khm h TYR 75 N 0.97 0.60 0.00 2.96 5.03 -1.18 -2.01 116.97 123.34 1khm h TYR 75 Ca 0.27 -0.20 0.00 0.00 2.58 0.00 0.00 58.73 61.38 1khm h TYR 75 Cb -0.08 -0.12 0.00 0.00 1.55 0.00 0.00 36.73 38.08 1khm h TYR 75 CO -0.00 0.90 0.00 -0.07 -1.32 0.00 0.00 178.16 177.67 1khm h LEU 76 N 0.38 0.00 0.11 2.82 3.38 -1.08 -2.26 115.31 118.66 1khm h LEU 76 Ca 0.01 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.81 1khm h LEU 76 Cb 1.03 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.80 1khm h LEU 76 CO 0.09 0.00 -0.81 -0.07 0.09 0.00 0.00 178.44 177.74 1khm h LEU 77 N 0.00 0.38 -1.01 1.67 3.38 -0.84 -1.94 115.31 116.94 1khm h LEU 77 Ca 0.00 -0.93 -0.02 0.00 0.09 0.00 0.00 57.88 57.02 1khm h LEU 77 Cb 0.60 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 1khm h LEU 77 CO 0.00 1.38 0.40 1.56 0.09 0.00 0.00 178.44 181.87 1khm h GLN 78 N -0.47 1.10 0.00 1.13 4.20 -1.27 -2.08 115.11 117.72 1khm h GLN 78 Ca -0.16 -0.14 -0.09 0.00 0.06 0.00 0.00 58.65 58.33 1khm h GLN 78 Cb 1.57 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 29.12 1khm h GLN 78 CO 0.11 0.82 -0.43 -0.97 -0.67 0.00 0.00 178.83 177.68 1khm h ASN 79 N 1.10 0.00 -0.61 1.46 -0.73 -1.50 -3.11 115.58 112.18 1khm h ASN 79 Ca 0.27 0.00 -0.03 0.00 1.87 0.00 0.00 56.30 58.42 1khm h ASN 79 Cb 0.07 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 38.63 1khm h ASN 79 CO -0.04 0.43 0.29 0.77 -0.37 0.00 0.00 177.43 178.52 1khm h SER 80 N 0.00 0.82 -0.92 1.15 4.64 -0.63 -2.62 113.55 116.00 1khm h SER 80 Ca -0.00 -0.09 0.18 0.00 -0.47 0.00 0.00 61.79 61.40 1khm h SER 80 Cb 1.26 -0.21 -0.17 0.00 -0.31 0.00 0.00 62.40 62.97 1khm h SER 80 CO 0.06 0.71 -0.26 0.58 -0.87 0.00 0.00 176.83 177.05 1khm h VAL 81 N 0.91 0.07 -0.30 0.95 2.07 -1.44 1.50 116.25 120.01 1khm h VAL 81 Ca 0.22 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.83 1khm h VAL 81 Cb 0.12 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 29.95 1khm h VAL 81 CO -0.03 0.00 0.66 0.11 0.02 0.00 0.00 177.57 178.34 1khm h LYS 82 N -0.01 0.00 0.00 1.57 1.57 -1.64 1.73 116.57 119.79 1khm h LYS 82 Ca 0.42 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.20 1khm h LYS 82 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.97 1khm h LYS 82 CO -0.94 0.00 0.05 0.94 -0.57 0.00 0.00 179.45 178.93 1khm n GLN 83 N -3.10 0.07 0.28 3.15 -0.06 0.51 -1.63 117.38 116.60 1khm n GLN 83 Ca 0.06 0.55 -0.18 0.00 -2.00 0.00 0.00 57.00 55.42 1khm n GLN 83 Cb 0.78 -1.77 -0.09 0.00 -4.06 0.00 0.00 30.24 25.09 1khm n GLN 83 CO 0.00 0.00 0.00 -0.92 -0.20 0.00 0.00 177.06 175.94 1khm h TYR 84 N 0.00 -1.35 0.00 3.69 3.20 0.25 -3.42 116.97 119.34 1khm h TYR 84 Ca 0.00 0.01 -0.14 0.00 3.14 0.00 0.00 58.73 61.74 1khm h TYR 84 Cb 0.10 0.52 -0.12 0.00 1.54 0.00 0.00 36.73 38.77 1khm h TYR 84 CO 0.00 -0.65 -0.07 -1.13 -1.64 0.00 0.00 178.16 174.67 1khm n SER 85 N -5.55 -1.54 0.00 -2.11 3.41 -0.78 -4.91 113.62 102.14 1khm n SER 85 Ca -0.12 -2.36 0.00 0.00 -0.26 0.00 0.00 58.87 56.13 1khm n SER 85 Cb 0.45 1.34 0.00 0.00 -0.26 0.00 0.00 64.21 65.75 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 0.31 -0.12 0.55 5.00 0.00 -0.64 -4.69 105.19 105.60 1khm n GLY 86 Ca -0.04 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.20 1.33 -2.67 1.61 5.02 -1.24 -4.24 118.16 115.78 1khm n LYS 87 Ca 0.00 -0.29 -0.02 0.00 -2.02 0.00 0.00 58.31 55.98 1khm n LYS 87 Cb 0.00 -1.49 0.03 0.00 -0.02 0.00 0.00 35.03 33.56 1khm n LYS 87 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 1khm s PHE 88 N -1.29 -0.16 -1.95 2.13 5.36 -1.26 -5.03 117.98 115.77 1khm s PHE 88 Ca 0.05 -0.04 0.00 0.00 -0.96 0.00 0.00 56.93 55.98 1khm s PHE 88 Cb 0.04 0.03 0.00 0.00 -0.34 0.00 0.00 43.02 42.75 1khm s PHE 88 CO 0.02 -0.12 0.49 1.19 -1.46 0.00 0.00 175.22 175.33