#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ikm n LEU 5 N 0.00 -0.80 0.00 4.31 7.94 -1.26 -4.95 117.00 122.23 1ikm n LEU 5 Ca 0.00 1.40 -0.15 0.00 -1.11 0.00 0.00 56.01 56.15 1ikm n LEU 5 Cb 0.00 -1.12 0.14 0.00 0.53 0.00 0.00 43.42 42.97 1ikm n LEU 5 CO 0.00 -0.49 0.23 0.54 -1.11 0.00 0.00 177.39 176.56 1ikm n ARG 6 N -2.18 -2.83 -1.96 1.96 3.00 -1.26 -4.58 116.66 108.81 1ikm n ARG 6 Ca -0.01 -0.79 -0.43 0.00 -0.01 0.00 0.00 57.85 56.62 1ikm n ARG 6 Cb 0.25 -0.88 -0.03 0.00 0.00 0.00 0.00 32.46 31.81 1ikm n ARG 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ikm h GLN 8 N 11.96 0.00 -4.30 0.00 4.20 -1.95 -3.35 115.11 121.67 1ikm h GLN 8 Ca -0.37 0.00 -0.70 0.00 0.06 0.00 0.00 58.65 57.65 1ikm h GLN 8 Cb 1.18 0.00 -0.34 0.00 0.30 0.00 0.00 27.48 28.62 1ikm h GLN 8 CO 1.00 0.14 -0.51 0.00 -0.67 0.00 0.00 178.83 178.79 1ikm h ILE 10 N 6.14 1.24 -3.66 0.00 1.08 -2.01 -3.38 117.51 116.93 1ikm h ILE 10 Ca -0.11 -1.14 -0.67 0.00 -0.39 0.00 0.00 64.86 62.54 1ikm h ILE 10 Cb 1.03 1.60 -0.34 0.00 -3.07 0.00 0.00 36.82 36.03 1ikm h ILE 10 CO 0.71 0.33 -0.77 -0.54 -0.69 0.00 0.00 178.15 177.19 1ikm s LYS 11 N -4.30 2.52 0.20 2.37 -0.14 -1.26 -5.11 119.74 114.02 1ikm s LYS 11 Ca -0.03 -1.18 -0.01 0.00 -1.36 0.00 0.00 55.97 53.39 1ikm s LYS 11 Cb 0.15 -2.94 0.04 0.00 -1.68 0.00 0.00 37.83 33.39 1ikm s LYS 11 CO 0.72 -0.50 0.27 0.25 -0.76 0.00 0.00 175.35 175.34 1ikm n THR 12 N 4.56 0.00 -3.48 2.17 -2.24 -1.26 -4.83 114.28 109.20 1ikm n THR 12 Ca -0.15 -0.35 -0.38 0.00 -2.27 0.00 0.00 64.05 60.90 1ikm n THR 12 Cb 0.44 -1.43 -0.09 0.00 -2.10 0.00 0.00 70.33 67.16 1ikm n THR 12 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1ikm s TYR 13 N -0.90 3.32 -0.20 4.78 5.04 0.10 -4.83 117.35 124.66 1ikm s TYR 13 Ca 0.17 0.43 0.15 0.00 -2.44 0.00 0.00 57.07 55.38 1ikm s TYR 13 Cb -0.01 -2.45 -0.24 0.00 0.35 0.00 0.00 41.96 39.61 1ikm s TYR 13 CO 0.12 -0.04 0.07 -1.13 -1.34 0.00 0.00 175.55 173.22 1ikm n SER 14 N 4.63 0.34 -4.74 4.32 3.41 -1.26 -2.72 113.62 117.60 1ikm n SER 14 Ca -0.11 0.01 -0.41 0.00 -0.26 0.00 0.00 58.87 58.11 1ikm n SER 14 Cb 0.51 0.72 -0.04 0.00 -0.26 0.00 0.00 64.21 65.14 1ikm n SER 14 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1ikm s LYS 15 N -2.50 4.65 0.53 4.33 1.02 -1.26 -5.03 119.74 121.48 1ikm s LYS 15 Ca -0.13 1.68 -0.10 0.00 0.02 0.00 0.00 55.97 57.44 1ikm s LYS 15 Cb 0.07 -3.27 -0.05 0.00 -0.52 0.00 0.00 37.83 34.06 1ikm s LYS 15 CO 0.80 0.17 0.91 -1.25 -0.92 0.00 0.00 175.35 175.06 1ikm s PRO 16 N -0.68 3.67 0.11 -1.68 0.04 -1.26 -5.07 135.00 130.13 1ikm s PRO 16 Ca 0.47 0.57 -0.25 0.00 0.04 0.00 0.00 61.00 61.83 1ikm s PRO 16 Cb -0.29 -2.23 0.07 0.00 0.04 0.00 0.00 34.50 32.09 1ikm s PRO 16 CO 0.35 -0.33 0.62 -0.59 0.04 0.00 0.00 177.00 177.09 1ikm s PHE 17 N -2.83 -0.56 0.32 0.56 -0.71 -1.26 -5.15 117.98 108.36 1ikm s PHE 17 Ca 0.53 0.51 -0.29 0.00 -1.04 0.00 0.00 56.93 56.64 1ikm s PHE 17 Cb -0.10 0.52 -0.10 0.00 -1.21 0.00 0.00 43.02 42.12 1ikm s PHE 17 CO 0.44 -0.79 1.38 -1.58 -1.34 0.00 0.00 175.22 173.33 1ikm s HIS 18 N -3.16 2.94 0.01 3.49 5.65 -1.26 -4.96 115.29 118.00 1ikm s HIS 18 Ca -0.02 1.27 -0.19 0.00 0.25 0.00 0.00 55.06 56.37 1ikm s HIS 18 Cb -0.01 -3.79 -0.23 0.00 -1.18 0.00 0.00 32.58 27.37 1ikm s HIS 18 CO -0.08 -2.30 1.11 -1.00 -0.65 0.00 0.00 174.74 171.82 1ikm h PRO 19 N 3.67 0.44 -0.08 2.88 0.13 -1.98 -3.31 132.00 133.76 1ikm h PRO 19 Ca -0.49 -0.47 0.02 0.00 -0.87 0.00 0.00 66.00 64.19 1ikm h PRO 19 Cb 1.23 0.13 -0.00 0.00 0.13 0.00 0.00 31.00 32.49 1ikm h PRO 19 CO 0.68 1.13 0.33 -0.22 -0.23 0.00 0.00 178.00 179.69 1ikm h LYS 20 N -0.05 0.00 -0.65 0.86 3.64 -1.97 0.23 116.57 118.63 1ikm h LYS 20 Ca -0.08 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.27 1ikm h LYS 20 Cb 1.36 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.15 1ikm h LYS 20 CO 0.13 0.00 0.29 0.74 -2.27 0.00 0.00 179.45 178.33 1ikm h PHE 21 N 0.00 0.93 -2.46 1.91 0.04 -1.98 -3.41 116.94 111.97 1ikm h PHE 21 Ca 0.04 -0.04 -0.54 0.00 2.80 0.00 0.00 57.97 60.23 1ikm h PHE 21 Cb 0.70 -0.29 0.01 0.00 2.20 0.00 0.00 35.95 38.57 1ikm h PHE 21 CO 0.00 0.70 1.17 0.42 -0.60 0.00 0.00 178.31 180.00 1ikm s ILE 22 N -5.48 3.16 -0.09 -0.55 1.01 0.80 -2.15 121.20 117.90 1ikm s ILE 22 Ca -0.10 0.25 0.13 0.00 0.00 0.00 0.00 60.65 60.93 1ikm s ILE 22 Cb 0.16 -3.16 -0.02 0.00 0.01 0.00 0.00 42.46 39.45 1ikm s ILE 22 CO 0.80 -0.02 1.34 0.11 0.00 0.00 0.00 174.94 177.16 1ikm h LYS 23 N 10.08 0.00 -4.24 2.79 1.57 -1.22 -3.47 116.57 122.08 1ikm h LYS 23 Ca -0.46 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.02 1ikm h LYS 23 Cb 1.22 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 33.44 1ikm h LYS 23 CO 0.94 0.58 -0.24 -1.21 -0.57 0.00 0.00 179.45 178.96 1ikm s GLU 24 N -2.90 1.89 0.00 3.15 2.02 -1.23 -4.99 118.70 116.64 1ikm s GLU 24 Ca 0.03 -1.80 0.00 0.00 0.02 0.00 0.00 54.97 53.22 1ikm s GLU 24 Cb 0.08 0.43 0.00 0.00 0.10 0.00 0.00 34.13 34.74 1ikm s GLU 24 CO 0.77 -0.77 0.00 0.54 0.02 0.00 0.00 175.26 175.82 1ikm n ARG 26 N -0.57 0.00 -3.99 1.61 1.74 0.11 -1.49 116.66 114.06 1ikm n ARG 26 Ca 0.02 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.79 1ikm n ARG 26 Cb 0.62 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 32.00 1ikm n ARG 26 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1ikm s VAL 27 N 0.00 4.91 0.07 1.55 -7.23 -1.26 -1.34 120.40 117.10 1ikm s VAL 27 Ca 0.00 -0.62 0.02 0.00 -1.81 0.00 0.00 61.98 59.57 1ikm s VAL 27 Cb 0.00 -3.39 -0.04 0.00 0.56 0.00 0.00 36.38 33.51 1ikm s VAL 27 CO 0.00 0.12 0.14 -0.63 -0.31 0.00 0.00 175.10 174.42 1ikm s ILE 28 N -1.46 4.95 1.01 -0.62 1.01 0.30 -4.93 121.20 121.46 1ikm s ILE 28 Ca 0.32 -0.59 -0.14 0.00 0.00 0.00 0.00 60.65 60.24 1ikm s ILE 28 Cb -0.12 -3.40 0.19 0.00 0.01 0.00 0.00 42.46 39.14 1ikm s ILE 28 CO 0.25 0.13 1.14 -1.61 0.00 0.00 0.00 174.94 174.84 1ikm s GLU 29 N -2.46 0.34 0.29 2.79 2.02 -1.26 -3.56 118.70 116.86 1ikm s GLU 29 Ca 0.32 0.19 0.08 0.00 0.02 0.00 0.00 54.97 55.58 1ikm s GLU 29 Cb -0.13 -1.76 -0.03 0.00 0.10 0.00 0.00 34.13 32.32 1ikm s GLU 29 CO 0.25 -2.72 0.20 -1.54 0.02 0.00 0.00 175.26 171.47 1ikm s SER 30 N -3.93 5.25 0.00 -0.19 1.04 -1.26 -4.57 113.70 110.04 1ikm s SER 30 Ca 0.67 -0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.67 1ikm s SER 30 Cb -0.14 -1.13 0.00 0.00 0.10 0.00 0.00 66.02 64.85 1ikm s SER 30 CO 0.55 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 175.22 1ikm n GLY 31 N -1.21 1.62 0.18 7.32 0.00 -0.68 -4.97 105.19 107.45 1ikm n GLY 31 Ca -0.05 -0.52 -0.13 0.00 0.00 0.00 0.00 46.02 45.32 1ikm n GLY 31 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ikm h PRO 32 N 0.00 0.51 -0.58 1.61 0.13 -1.99 -3.04 132.00 128.64 1ikm h PRO 32 Ca 0.00 -0.44 0.03 0.00 -0.87 0.00 0.00 66.00 64.71 1ikm h PRO 32 Cb 0.00 0.10 -0.03 0.00 0.13 0.00 0.00 31.00 31.20 1ikm h PRO 32 CO 0.00 1.08 0.38 1.12 -0.23 0.00 0.00 178.00 180.35 1ikm h HIS 33 N 0.34 0.67 -2.23 1.56 2.07 -1.95 -3.38 115.15 112.22 1ikm h HIS 33 Ca -0.05 0.02 -0.28 0.00 -2.85 0.00 0.00 60.37 57.21 1ikm h HIS 33 Cb 1.39 -0.22 -0.33 0.00 2.57 0.00 0.00 27.41 30.81 1ikm h HIS 33 CO 0.06 0.40 -0.59 0.00 -3.07 0.00 0.00 177.93 174.72 1ikm h ALA 35 N 8.26 -0.63 -2.25 0.00 0.00 -1.73 -1.81 119.26 121.10 1ikm h ALA 35 Ca -0.16 -0.09 -0.48 0.00 0.00 0.00 0.00 54.91 54.18 1ikm h ALA 35 Cb 1.13 0.49 0.02 0.00 0.00 0.00 0.00 17.79 19.42 1ikm h ALA 35 CO 0.30 -0.90 0.32 -0.80 0.00 0.00 0.00 179.25 178.17 1ikm s ASN 36 N -4.69 6.53 0.57 0.00 0.01 -1.26 -4.46 114.94 111.63 1ikm s ASN 36 Ca -0.16 1.44 -0.18 0.00 -0.71 0.00 0.00 52.86 53.25 1ikm s ASN 36 Cb 0.07 -2.46 -0.05 0.00 0.41 0.00 0.00 41.25 39.22 1ikm s ASN 36 CO 0.64 -0.60 1.08 -0.89 -1.51 0.00 0.00 177.10 175.83 1ikm s THR 37 N -2.67 3.50 -0.23 1.60 2.01 -1.26 -4.79 115.64 113.80 1ikm s THR 37 Ca 0.56 0.82 0.02 0.00 0.31 0.00 0.00 61.69 63.40 1ikm s THR 37 Cb -0.10 -3.31 0.05 0.00 0.01 0.00 0.00 72.50 69.14 1ikm s THR 37 CO 0.35 -0.31 -0.12 -1.61 -0.69 0.00 0.00 174.62 172.24 1ikm s GLU 38 N -3.65 2.30 0.43 4.92 0.41 -1.23 -4.59 118.70 117.29 1ikm s GLU 38 Ca 0.68 -1.09 -0.08 0.00 -0.41 0.00 0.00 54.97 54.07 1ikm s GLU 38 Cb -0.19 -2.68 -0.05 0.00 -1.78 0.00 0.00 34.13 29.42 1ikm s GLU 38 CO 0.31 -0.46 0.77 0.42 -0.49 0.00 0.00 175.26 175.81 1ikm s ILE 39 N 1.24 4.85 -0.11 -1.63 1.09 -1.12 -0.54 121.20 124.98 1ikm s ILE 39 Ca -0.04 0.42 -0.07 0.00 -1.10 0.00 0.00 60.65 59.86 1ikm s ILE 39 Cb -0.17 -3.79 0.04 0.00 -1.06 0.00 0.00 42.46 37.48 1ikm s ILE 39 CO -0.08 -0.66 0.27 -0.63 -0.10 0.00 0.00 174.94 173.75 1ikm s ILE 40 N -2.52 -0.02 0.15 2.92 1.01 -0.45 -1.86 121.20 120.42 1ikm s ILE 40 Ca 0.49 0.09 0.01 0.00 0.00 0.00 0.00 60.65 61.24 1ikm s ILE 40 Cb -0.10 -0.41 -0.04 0.00 0.01 0.00 0.00 42.46 41.92 1ikm s ILE 40 CO 0.37 0.04 0.00 0.68 0.00 0.00 0.00 174.94 176.03 1ikm s VAL 41 N 0.86 0.56 -0.34 2.92 -7.23 -0.95 0.05 120.40 116.26 1ikm s VAL 41 Ca -0.06 -1.96 0.00 0.00 -1.81 0.00 0.00 61.98 58.16 1ikm s VAL 41 Cb -0.07 -2.03 0.11 0.00 0.56 0.00 0.00 36.38 34.95 1ikm s VAL 41 CO -0.06 -0.54 0.13 -0.54 -0.31 0.00 0.00 175.10 173.78 1ikm s LYS 42 N -3.93 0.88 0.47 4.82 1.02 -0.55 -2.48 119.74 119.97 1ikm s LYS 42 Ca 0.22 -1.35 -0.23 0.00 0.02 0.00 0.00 55.97 54.63 1ikm s LYS 42 Cb 0.06 -2.11 -0.09 0.00 -0.52 0.00 0.00 37.83 35.18 1ikm s LYS 42 CO 0.02 -1.04 1.11 1.28 -0.92 0.00 0.00 175.35 175.80 1ikm n LEU 43 N 4.47 3.53 0.24 3.17 4.77 -0.39 -0.81 117.00 131.97 1ikm n LEU 43 Ca 0.01 1.00 0.17 0.00 -0.03 0.00 0.00 56.01 57.17 1ikm n LEU 43 Cb 0.40 -1.43 0.87 0.00 -2.33 0.00 0.00 43.42 40.93 1ikm n LEU 43 CO 0.15 -1.22 1.14 0.77 -1.33 0.00 0.00 177.39 176.90 1ikm h SER 44 N 1.48 0.00 0.16 -1.43 4.64 -1.76 0.24 113.55 116.88 1ikm h SER 44 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1ikm h SER 44 Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 1ikm h SER 44 CO 0.57 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 177.00 1ikm n ASP 45 N -3.75 0.00 -0.09 4.97 8.00 -1.26 -4.81 116.55 119.62 1ikm n ASP 45 Ca 0.00 -0.30 0.00 0.00 0.71 0.00 0.00 54.79 55.20 1ikm n ASP 45 Cb 0.26 -0.13 0.00 0.00 -0.02 0.00 0.00 41.12 41.22 1ikm n ASP 45 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ikm n GLY 46 N 0.21 1.20 3.69 0.44 0.00 0.06 -5.09 105.19 105.69 1ikm n GLY 46 Ca 0.12 -0.31 -0.23 0.00 0.00 0.00 0.00 46.02 45.59 1ikm n GLY 46 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ikm s ARG 47 N -2.06 2.46 -0.18 1.61 6.06 -1.12 -4.95 118.95 120.77 1ikm s ARG 47 Ca 0.00 -1.27 -0.01 0.00 -2.50 0.00 0.00 55.73 51.95 1ikm s ARG 47 Cb 0.00 -2.29 0.05 0.00 0.06 0.00 0.00 34.95 32.77 1ikm s ARG 47 CO 0.00 0.39 -0.04 -1.21 -2.50 0.00 0.00 175.30 171.94 1ikm s GLU 48 N -3.57 1.35 -0.10 5.12 2.02 -1.26 -1.27 118.70 120.99 1ikm s GLU 48 Ca 0.31 -0.57 0.00 0.00 0.02 0.00 0.00 54.97 54.73 1ikm s GLU 48 Cb -0.07 -2.10 0.02 0.00 0.10 0.00 0.00 34.13 32.08 1ikm s GLU 48 CO 0.21 -0.48 -0.09 -0.51 0.02 0.00 0.00 175.26 174.40 1ikm s LEU 49 N 1.63 1.33 0.11 1.80 1.02 -1.03 -5.00 118.68 118.54 1ikm s LEU 49 Ca -0.01 -0.30 -0.23 0.00 0.02 0.00 0.00 54.13 53.61 1ikm s LEU 49 Cb -0.16 -0.83 -0.07 0.00 0.02 0.00 0.00 46.19 45.14 1ikm s LEU 49 CO -0.07 -0.07 0.71 0.00 0.02 0.00 0.00 176.35 176.93 1ikm s LEU 51 N -0.93 4.30 -0.32 0.00 1.43 -0.78 0.01 118.68 122.38 1ikm s LEU 51 Ca 0.34 0.21 -0.10 0.00 -1.03 0.00 0.00 54.13 53.55 1ikm s LEU 51 Cb -0.21 -2.98 -0.01 0.00 0.03 0.00 0.00 46.19 43.02 1ikm s LEU 51 CO 0.23 -0.01 0.18 -0.62 0.23 0.00 0.00 176.35 176.36 1ikm s ASP 52 N -3.40 5.69 0.00 2.29 2.15 -1.10 -2.80 116.67 119.50 1ikm s ASP 52 Ca 0.36 -0.51 0.15 0.00 0.43 0.00 0.00 52.55 52.98 1ikm s ASP 52 Cb -0.11 -2.04 0.80 0.00 -0.30 0.00 0.00 42.92 41.27 1ikm s ASP 52 CO 0.29 -0.21 1.40 -0.81 -0.17 0.00 0.00 175.17 175.68 1ikm n PRO 53 N 5.01 0.27 0.22 4.34 -0.04 -1.26 -2.92 135.00 140.63 1ikm n PRO 53 Ca -0.13 0.11 0.06 0.00 -0.04 0.00 0.00 63.50 63.50 1ikm n PRO 53 Cb 0.49 -1.50 0.50 0.00 -0.04 0.00 0.00 33.50 32.95 1ikm n PRO 53 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1ikm h LYS 54 N 0.00 0.00 -7.45 0.54 3.64 -1.94 -3.43 116.57 107.93 1ikm h LYS 54 Ca 0.00 0.00 -0.47 0.00 -1.27 0.00 0.00 60.65 58.91 1ikm h LYS 54 Cb 0.11 0.00 0.09 0.00 -0.41 0.00 0.00 32.23 32.02 1ikm h LYS 54 CO 0.00 0.26 0.32 -1.21 -2.27 0.00 0.00 179.45 176.55 1ikm s GLU 55 N -4.22 2.18 0.08 1.90 8.01 -1.15 -4.99 118.70 120.52 1ikm s GLU 55 Ca -0.03 -0.02 0.23 0.00 0.01 0.00 0.00 54.97 55.16 1ikm s GLU 55 Cb 0.14 -2.06 -0.03 0.00 -4.31 0.00 0.00 34.13 27.86 1ikm s GLU 55 CO 0.67 -1.36 0.94 0.09 0.01 0.00 0.00 175.26 175.61 1ikm n ASN 56 N -3.09 0.57 0.10 -0.19 3.02 -1.26 -3.84 115.26 110.56 1ikm n ASN 56 Ca 0.08 -0.02 -0.18 0.00 -0.03 0.00 0.00 54.58 54.43 1ikm n ASN 56 Cb 0.60 0.90 -0.14 0.00 -0.61 0.00 0.00 39.78 40.53 1ikm n ASN 56 CO 0.00 0.00 0.00 4.11 -2.62 0.00 0.00 177.26 178.75 1ikm h TRP 57 N 0.00 0.58 -0.49 3.10 5.08 -1.94 -2.03 115.95 120.26 1ikm h TRP 57 Ca 0.00 -0.42 -0.05 0.00 1.08 0.00 0.00 58.89 59.49 1ikm h TRP 57 Cb 0.85 -0.02 -0.02 0.00 -3.00 0.00 0.00 29.16 26.97 1ikm h TRP 57 CO 0.00 1.39 0.10 0.28 -1.28 0.00 0.00 178.44 178.92 1ikm h VAL 58 N 0.09 1.24 0.00 0.12 2.07 -1.82 0.82 116.25 118.78 1ikm h VAL 58 Ca -0.20 -0.89 -0.13 0.00 0.82 0.00 0.00 66.70 66.30 1ikm h VAL 58 Cb 2.03 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 32.67 1ikm h VAL 58 CO 0.20 0.32 -0.63 0.06 0.02 0.00 0.00 177.57 177.53 1ikm h GLN 59 N 0.67 0.00 0.18 1.57 3.07 -1.67 -1.03 115.11 117.91 1ikm h GLN 59 Ca 0.15 0.00 -0.28 0.00 0.09 0.00 0.00 58.65 58.61 1ikm h GLN 59 Cb 0.36 0.00 0.03 0.00 0.08 0.00 0.00 27.48 27.96 1ikm h GLN 59 CO 0.01 0.63 -1.21 -0.09 0.09 0.00 0.00 178.83 178.26 1ikm h ARG 60 N 0.00 0.50 -0.84 0.06 9.65 -1.04 -2.38 114.38 120.33 1ikm h ARG 60 Ca -0.01 -0.78 -0.03 0.00 -1.10 0.00 0.00 59.98 58.06 1ikm h ARG 60 Cb 1.14 0.28 -0.04 0.00 -1.39 0.00 0.00 29.97 29.96 1ikm h ARG 60 CO 0.08 1.36 0.40 0.28 2.80 0.00 0.00 179.97 184.90 1ikm h VAL 61 N 0.03 1.26 -0.32 0.20 2.07 0.71 0.18 116.25 120.37 1ikm h VAL 61 Ca -0.20 -0.74 -0.12 0.00 0.82 0.00 0.00 66.70 66.46 1ikm h VAL 61 Cb 1.94 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 1ikm h VAL 61 CO 0.23 0.31 -0.29 0.58 0.02 0.00 0.00 177.57 178.42 1ikm h VAL 62 N 1.20 1.28 -0.15 2.57 2.07 -1.23 -1.69 116.25 120.29 1ikm h VAL 62 Ca 0.29 -1.41 -0.10 0.00 0.82 0.00 0.00 66.70 66.30 1ikm h VAL 62 Cb 0.13 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 1ikm h VAL 62 CO -0.04 0.46 -0.28 -0.33 0.02 0.00 0.00 177.57 177.41 1ikm h GLU 63 N 0.58 0.46 0.00 1.57 5.08 -0.86 0.45 114.58 121.87 1ikm h GLU 63 Ca 0.07 -0.29 -0.03 0.00 -1.00 0.00 0.00 59.36 58.11 1ikm h GLU 63 Cb 0.79 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.07 1ikm h GLU 63 CO 0.07 0.89 -0.15 -0.22 -1.00 0.00 0.00 179.01 178.59 1ikm h LYS 64 N 0.09 0.00 0.04 2.33 3.64 -0.61 0.56 116.57 122.62 1ikm h LYS 64 Ca 0.01 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 59.14 1ikm h LYS 64 Cb 0.87 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.66 1ikm h LYS 64 CO 0.06 0.15 -1.35 0.35 -2.27 0.00 0.00 179.45 176.40 1ikm h PHE 65 N 0.00 0.15 -0.00 1.91 3.57 -1.17 -3.37 116.94 118.03 1ikm h PHE 65 Ca -0.00 -0.11 0.00 0.00 3.53 0.00 0.00 57.97 61.39 1ikm h PHE 65 Cb 0.31 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.04 1ikm h PHE 65 CO 0.00 1.53 -0.07 -0.11 -2.23 0.00 0.00 178.31 177.43 1ikm n LEU 66 N -4.20 0.16 -0.33 0.59 7.94 0.16 -4.16 117.00 117.16 1ikm n LEU 66 Ca -0.30 0.25 0.24 0.00 -1.11 0.00 0.00 56.01 55.09 1ikm n LEU 66 Cb 0.77 -0.31 0.47 0.00 0.53 0.00 0.00 43.42 44.88 1ikm n LEU 66 CO 0.27 0.03 1.08 0.50 -1.11 0.00 0.00 177.39 178.16 1ikm h LYS 67 N 0.14 0.24 -7.16 1.96 1.63 -0.03 -3.41 116.57 109.94 1ikm h LYS 67 Ca 0.00 -0.01 -0.44 0.00 -0.85 0.00 0.00 60.65 59.35 1ikm h LYS 67 Cb 0.38 -0.05 0.21 0.00 -0.60 0.00 0.00 32.23 32.16 1ikm h LYS 67 CO 0.00 0.16 0.02 1.03 -3.45 0.00 0.00 179.45 177.21 1ikm s ARG 68 N -5.67 -0.91 0.33 1.90 0.52 -1.26 -4.99 118.95 108.86 1ikm s ARG 68 Ca -0.10 0.78 0.00 0.00 -0.52 0.00 0.00 55.73 55.88 1ikm s ARG 68 Cb 0.30 -1.56 0.00 0.00 0.52 0.00 0.00 34.95 34.22 1ikm s ARG 68 CO 0.79 -3.70 0.00 0.00 0.02 0.00 0.00 175.30 172.40 1ikm n ALA 69 N -4.89 2.22 -0.39 2.13 0.00 -1.26 -5.06 120.51 113.26 1ikm n ALA 69 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1ikm n ALA 69 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 1ikm n ALA 69 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1ikm n GLU 70 N -3.43 0.00 -3.86 0.00 1.02 -1.26 -4.68 120.64 108.44 1ikm n GLU 70 Ca 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.04 1ikm n GLU 70 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.34 1ikm n GLU 70 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1ikm s ASN 71 N -2.78 0.06 0.00 1.62 2.20 -1.26 -5.36 114.94 109.42 1ikm s ASN 71 Ca 0.00 -0.43 0.00 0.00 -0.94 0.00 0.00 52.86 51.49 1ikm s ASN 71 Cb 0.00 0.29 0.00 0.00 -2.00 0.00 0.00 41.25 39.54 1ikm s ASN 71 CO 0.00 -0.58 0.00 -1.20 -2.94 0.00 0.00 177.10 172.38