#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ikm s LEU 5 N 0.00 -0.24 0.00 -4.62 0.20 -1.26 -5.12 118.68 107.64 1ikm s LEU 5 Ca 0.00 -0.05 -0.11 0.00 0.69 0.00 0.00 54.13 54.66 1ikm s LEU 5 Cb 0.00 0.57 0.16 0.00 -0.43 0.00 0.00 46.19 46.50 1ikm s LEU 5 CO 0.00 -0.31 0.50 0.54 -0.29 0.00 0.00 176.35 176.78 1ikm n ARG 6 N 5.33 -2.55 -1.78 1.98 1.74 -1.26 -4.59 116.66 115.52 1ikm n ARG 6 Ca -0.05 -0.81 -0.42 0.00 -0.77 0.00 0.00 57.85 55.80 1ikm n ARG 6 Cb 0.50 -0.85 -0.03 0.00 -1.02 0.00 0.00 32.46 31.06 1ikm n ARG 6 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ikm h GLN 8 N 10.49 0.00 -4.08 0.00 4.15 -1.97 -3.37 115.11 120.32 1ikm h GLN 8 Ca -0.46 0.00 -0.60 0.00 0.77 0.00 0.00 58.65 58.36 1ikm h GLN 8 Cb 1.22 0.00 -0.39 0.00 0.21 0.00 0.00 27.48 28.51 1ikm h GLN 8 CO 0.95 0.00 -0.76 0.00 -1.93 0.00 0.00 178.83 177.09 1ikm h ILE 10 N 6.58 1.24 -3.32 0.00 2.04 -2.01 -3.40 117.51 118.64 1ikm h ILE 10 Ca -0.13 -1.09 -0.66 0.00 1.00 0.00 0.00 64.86 63.99 1ikm h ILE 10 Cb 1.04 1.30 -0.27 0.00 -0.74 0.00 0.00 36.82 38.14 1ikm h ILE 10 CO 0.45 0.34 -0.77 -1.59 0.00 0.00 0.00 178.15 176.58 1ikm s LYS 11 N -4.58 3.36 0.26 2.37 -2.85 -1.26 -5.12 119.74 111.91 1ikm s LYS 11 Ca -0.06 -0.69 0.03 0.00 -1.00 0.00 0.00 55.97 54.25 1ikm s LYS 11 Cb 0.14 -2.64 0.03 0.00 -2.06 0.00 0.00 37.83 33.31 1ikm s LYS 11 CO 0.77 0.18 0.28 0.25 0.10 0.00 0.00 175.35 176.92 1ikm n THR 12 N 3.63 0.00 -3.54 3.79 -2.24 -1.26 -4.80 114.28 109.86 1ikm n THR 12 Ca -0.18 -0.96 -0.36 0.00 -2.27 0.00 0.00 64.05 60.28 1ikm n THR 12 Cb 0.53 -0.52 -0.07 0.00 -2.10 0.00 0.00 70.33 68.16 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 -0.97 3.45 -0.18 4.78 5.04 0.13 -4.83 117.35 124.76 1ikm s TYR 13 Ca 0.21 0.57 0.09 0.00 -2.44 0.00 0.00 57.07 55.50 1ikm s TYR 13 Cb -0.02 -2.34 -0.17 0.00 0.35 0.00 0.00 41.96 39.78 1ikm s TYR 13 CO 0.14 0.22 -0.05 0.43 -1.34 0.00 0.00 175.55 174.94 1ikm n SER 14 N 3.66 1.61 -4.75 4.32 7.64 -1.26 -2.35 113.62 122.49 1ikm n SER 14 Ca -0.12 -0.05 -0.41 0.00 1.01 0.00 0.00 58.87 59.31 1ikm n SER 14 Cb 0.52 0.35 -0.04 0.00 -1.01 0.00 0.00 64.21 64.03 1ikm n SER 14 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1ikm s LYS 15 N -2.40 4.57 0.56 1.43 1.02 -1.26 -5.02 119.74 118.64 1ikm s LYS 15 Ca -0.17 1.86 -0.09 0.00 0.02 0.00 0.00 55.97 57.60 1ikm s LYS 15 Cb 0.06 -3.19 -0.04 0.00 -0.52 0.00 0.00 37.83 34.14 1ikm s LYS 15 CO 0.58 0.09 0.92 -1.25 -0.92 0.00 0.00 175.35 174.78 1ikm s PRO 16 N -1.15 3.58 0.11 -1.68 0.04 -1.26 -5.06 135.00 129.57 1ikm s PRO 16 Ca 0.47 0.51 -0.25 0.00 0.04 0.00 0.00 61.00 61.77 1ikm s PRO 16 Cb -0.33 -2.21 0.08 0.00 0.04 0.00 0.00 34.50 32.08 1ikm s PRO 16 CO 0.41 -0.40 0.67 -0.59 0.04 0.00 0.00 177.00 177.13 1ikm s PHE 17 N -2.98 -0.51 0.30 0.56 -0.71 -1.26 -5.15 117.98 108.24 1ikm s PHE 17 Ca 0.52 0.36 -0.29 0.00 -1.04 0.00 0.00 56.93 56.48 1ikm s PHE 17 Cb -0.11 0.54 -0.10 0.00 -1.21 0.00 0.00 43.02 42.15 1ikm s PHE 17 CO 0.50 -0.77 1.28 -1.58 -1.34 0.00 0.00 175.22 173.31 1ikm s HIS 18 N -3.42 3.17 0.01 3.49 5.65 -1.26 -4.98 115.29 117.95 1ikm s HIS 18 Ca 0.01 1.41 -0.19 0.00 0.25 0.00 0.00 55.06 56.54 1ikm s HIS 18 Cb -0.01 -3.61 -0.24 0.00 -1.18 0.00 0.00 32.58 27.54 1ikm s HIS 18 CO -0.11 -1.69 1.10 -1.00 -0.65 0.00 0.00 174.74 172.40 1ikm h PRO 19 N 3.83 0.45 -0.47 2.88 0.13 -1.98 -3.33 132.00 133.51 1ikm h PRO 19 Ca -0.48 -0.49 0.14 0.00 -0.87 0.00 0.00 66.00 64.30 1ikm h PRO 19 Cb 1.22 0.14 -0.02 0.00 0.13 0.00 0.00 31.00 32.47 1ikm h PRO 19 CO 0.68 1.14 0.54 -0.22 -0.23 0.00 0.00 178.00 179.92 1ikm h LYS 20 N -0.05 0.00 -0.76 0.86 3.64 -1.95 0.23 116.57 118.55 1ikm h LYS 20 Ca -0.09 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.27 1ikm h LYS 20 Cb 1.38 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.17 1ikm h LYS 20 CO 0.13 0.00 0.38 0.74 -2.27 0.00 0.00 179.45 178.43 1ikm h PHE 21 N 0.00 1.06 -2.33 1.91 0.04 -1.99 -3.41 116.94 112.22 1ikm h PHE 21 Ca 0.22 -0.04 -0.54 0.00 2.80 0.00 0.00 57.97 60.41 1ikm h PHE 21 Cb 1.31 -0.34 0.01 0.00 2.20 0.00 0.00 35.95 39.14 1ikm h PHE 21 CO 0.00 0.76 1.27 0.42 -0.60 0.00 0.00 178.31 180.16 1ikm s ILE 22 N -5.64 3.07 0.01 -0.55 -1.09 0.82 -2.32 121.20 115.51 1ikm s ILE 22 Ca -0.11 0.09 0.10 0.00 -2.23 0.00 0.00 60.65 58.50 1ikm s ILE 22 Cb 0.17 -3.06 -0.13 0.00 -1.58 0.00 0.00 42.46 37.85 1ikm s ILE 22 CO 0.81 -0.02 1.24 0.50 -1.23 0.00 0.00 174.94 176.25 1ikm h LYS 23 N 11.28 0.00 -4.71 2.79 3.64 -1.48 -3.47 116.57 124.62 1ikm h LYS 23 Ca -0.47 0.00 -0.38 0.00 -1.27 0.00 0.00 60.65 58.53 1ikm h LYS 23 Cb 1.23 0.00 -0.13 0.00 -0.41 0.00 0.00 32.23 32.92 1ikm h LYS 23 CO 0.95 0.76 -0.49 -1.21 -2.27 0.00 0.00 179.45 177.19 1ikm s GLU 24 N -2.79 1.62 0.00 1.90 0.41 -1.24 -5.00 118.70 113.60 1ikm s GLU 24 Ca 0.01 -1.87 0.00 0.00 -0.41 0.00 0.00 54.97 52.70 1ikm s GLU 24 Cb 0.09 0.33 0.00 0.00 -1.78 0.00 0.00 34.13 32.77 1ikm s GLU 24 CO 0.80 -0.59 0.00 2.89 -0.49 0.00 0.00 175.26 177.86 1ikm n ARG 26 N -0.52 0.00 -4.07 1.61 1.85 0.16 -1.25 116.66 114.45 1ikm n ARG 26 Ca 0.05 0.00 -0.31 0.00 -1.00 0.00 0.00 57.85 56.59 1ikm n ARG 26 Cb 0.63 0.00 -0.07 0.00 -1.05 0.00 0.00 32.46 31.98 1ikm n ARG 26 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 177.63 177.76 1ikm s VAL 27 N 0.00 4.55 -0.14 8.89 -7.23 -1.26 -1.18 120.40 124.04 1ikm s VAL 27 Ca 0.00 -0.70 -0.03 0.00 -1.81 0.00 0.00 61.98 59.44 1ikm s VAL 27 Cb 0.00 -3.17 -0.03 0.00 0.56 0.00 0.00 36.38 33.75 1ikm s VAL 27 CO 0.00 0.18 -0.04 -0.63 -0.31 0.00 0.00 175.10 174.30 1ikm s ILE 28 N -1.34 3.93 1.16 -0.62 1.01 -0.41 -4.94 121.20 120.00 1ikm s ILE 28 Ca 0.28 -0.35 -0.16 0.00 0.00 0.00 0.00 60.65 60.42 1ikm s ILE 28 Cb -0.12 -2.70 0.27 0.00 0.01 0.00 0.00 42.46 39.91 1ikm s ILE 28 CO 0.20 0.52 1.05 -1.83 0.00 0.00 0.00 174.94 174.88 1ikm s GLU 29 N 0.08 -0.87 0.30 2.79 -1.05 -1.26 -3.17 118.70 115.52 1ikm s GLU 29 Ca -0.00 0.38 0.07 0.00 -0.15 0.00 0.00 54.97 55.27 1ikm s GLU 29 Cb -0.13 -1.60 -0.03 0.00 -0.44 0.00 0.00 34.13 31.93 1ikm s GLU 29 CO 0.03 -3.58 0.27 -1.54 0.95 0.00 0.00 175.26 171.39 1ikm s SER 30 N -3.27 5.44 0.00 0.83 1.04 -1.26 -4.70 113.70 111.77 1ikm s SER 30 Ca 0.68 -0.38 0.00 0.00 0.48 0.00 0.00 55.95 56.73 1ikm s SER 30 Cb -0.17 -1.16 0.00 0.00 0.10 0.00 0.00 66.02 64.78 1ikm s SER 30 CO 0.59 -0.24 0.00 0.61 0.98 0.00 0.00 173.24 175.18 1ikm n GLY 31 N -1.32 1.79 0.17 7.32 0.00 -0.42 -4.96 105.19 107.77 1ikm n GLY 31 Ca -0.04 -0.28 -0.10 0.00 0.00 0.00 0.00 46.02 45.61 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 0.37 -0.60 1.61 0.13 -1.98 -2.72 132.00 128.80 1ikm h PRO 32 Ca 0.00 -0.31 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1ikm h PRO 32 Cb 0.00 0.07 -0.03 0.00 0.13 0.00 0.00 31.00 31.17 1ikm h PRO 32 CO 0.00 0.96 0.38 1.12 -0.23 0.00 0.00 178.00 180.24 1ikm h HIS 33 N 0.25 0.76 -0.80 1.56 2.07 -1.94 -3.41 115.15 113.63 1ikm h HIS 33 Ca -0.03 0.01 0.13 0.00 -2.85 0.00 0.00 60.37 57.63 1ikm h HIS 33 Cb 1.33 -0.26 -0.21 0.00 2.57 0.00 0.00 27.41 30.85 1ikm h HIS 33 CO 0.04 0.49 -0.16 0.00 -3.07 0.00 0.00 177.93 175.23 1ikm h ALA 35 N 7.98 1.51 -2.56 0.00 0.00 -1.73 -1.11 119.26 123.34 1ikm h ALA 35 Ca -0.18 -0.24 -0.54 0.00 0.00 0.00 0.00 54.91 53.95 1ikm h ALA 35 Cb 1.17 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 1ikm h ALA 35 CO 0.14 0.36 0.27 -0.80 0.00 0.00 0.00 179.25 179.23 1ikm s ASN 36 N -6.93 7.31 0.44 0.00 0.01 -1.26 -4.60 114.94 109.91 1ikm s ASN 36 Ca -0.04 1.58 -0.23 0.00 -0.71 0.00 0.00 52.86 53.45 1ikm s ASN 36 Cb 0.15 -2.53 -0.08 0.00 0.41 0.00 0.00 41.25 39.21 1ikm s ASN 36 CO 0.72 -0.12 1.13 -0.89 -1.51 0.00 0.00 177.10 176.44 1ikm s THR 37 N 0.44 3.29 -0.15 1.60 2.01 -1.26 -4.77 115.64 116.79 1ikm s THR 37 Ca 0.45 0.97 0.00 0.00 0.31 0.00 0.00 61.69 63.43 1ikm s THR 37 Cb -0.21 -3.50 0.03 0.00 0.01 0.00 0.00 72.50 68.83 1ikm s THR 37 CO 0.26 -0.00 -0.10 -1.83 -0.69 0.00 0.00 174.62 172.25 1ikm s GLU 38 N -2.62 1.91 0.46 4.92 -1.05 -1.19 -4.59 118.70 116.54 1ikm s GLU 38 Ca 0.62 -0.53 -0.08 0.00 -0.15 0.00 0.00 54.97 54.83 1ikm s GLU 38 Cb -0.27 -2.02 -0.05 0.00 -0.44 0.00 0.00 34.13 31.35 1ikm s GLU 38 CO 0.33 -0.31 0.80 0.42 0.95 0.00 0.00 175.26 177.44 1ikm s ILE 39 N 1.55 4.85 -0.11 1.83 1.09 -1.12 -1.28 121.20 128.01 1ikm s ILE 39 Ca 0.03 0.41 -0.06 0.00 -1.10 0.00 0.00 60.65 59.93 1ikm s ILE 39 Cb -0.14 -3.82 0.05 0.00 -1.06 0.00 0.00 42.46 37.49 1ikm s ILE 39 CO -0.09 -0.75 0.27 -0.63 -0.10 0.00 0.00 174.94 173.64 1ikm s ILE 40 N -2.64 -0.04 0.22 2.92 1.01 -0.32 -1.92 121.20 120.43 1ikm s ILE 40 Ca 0.49 0.13 0.02 0.00 0.00 0.00 0.00 60.65 61.29 1ikm s ILE 40 Cb -0.10 -0.42 -0.05 0.00 0.01 0.00 0.00 42.46 41.90 1ikm s ILE 40 CO 0.41 0.05 0.04 0.68 0.00 0.00 0.00 174.94 176.12 1ikm s VAL 41 N 1.20 0.68 -0.35 2.92 -7.23 -0.96 0.37 120.40 117.03 1ikm s VAL 41 Ca -0.09 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.09 1ikm s VAL 41 Cb -0.09 -2.37 0.12 0.00 0.56 0.00 0.00 36.38 34.59 1ikm s VAL 41 CO -0.09 -0.26 0.16 -0.75 -0.31 0.00 0.00 175.10 173.86 1ikm s LYS 42 N -3.96 0.79 0.42 4.82 2.20 -0.38 -2.57 119.74 121.06 1ikm s LYS 42 Ca 0.30 -1.31 -0.25 0.00 -0.36 0.00 0.00 55.97 54.35 1ikm s LYS 42 Cb 0.07 -1.88 -0.10 0.00 -1.51 0.00 0.00 37.83 34.40 1ikm s LYS 42 CO 0.09 -1.08 1.11 1.28 -0.36 0.00 0.00 175.35 176.39 1ikm n LEU 43 N 4.40 3.15 0.26 5.43 4.77 -0.34 -1.41 117.00 133.27 1ikm n LEU 43 Ca 0.03 1.06 0.17 0.00 -0.03 0.00 0.00 56.01 57.24 1ikm n LEU 43 Cb 0.39 -1.41 0.91 0.00 -2.33 0.00 0.00 43.42 40.98 1ikm n LEU 43 CO 0.15 -1.18 1.14 0.77 -1.33 0.00 0.00 177.39 176.94 1ikm h SER 44 N 1.72 0.00 0.32 -1.43 4.64 -1.78 -0.00 113.55 117.01 1ikm h SER 44 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1ikm h SER 44 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 1ikm h SER 44 CO 0.58 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 177.01 1ikm n ASP 45 N -3.71 0.00 -0.05 4.97 9.92 -1.26 -4.81 116.55 121.61 1ikm n ASP 45 Ca -0.01 0.13 0.00 0.00 -0.53 0.00 0.00 54.79 54.38 1ikm n ASP 45 Cb 0.20 -0.32 0.00 0.00 -0.64 0.00 0.00 41.12 40.36 1ikm n ASP 45 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1ikm n GLY 46 N -0.01 1.32 3.59 0.44 0.00 -0.03 -5.10 105.19 105.40 1ikm n GLY 46 Ca 0.07 -0.17 -0.25 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.37 2.11 -0.15 1.61 6.06 -1.13 -4.96 118.95 121.12 1ikm s ARG 47 Ca 0.00 -1.41 0.00 0.00 -2.50 0.00 0.00 55.73 51.83 1ikm s ARG 47 Cb 0.00 -2.11 0.03 0.00 0.06 0.00 0.00 34.95 32.93 1ikm s ARG 47 CO 0.00 0.39 -0.12 -1.21 -2.50 0.00 0.00 175.30 171.86 1ikm s GLU 48 N -3.30 2.05 -0.08 5.12 2.02 -1.26 -1.20 118.70 122.04 1ikm s GLU 48 Ca 0.28 -0.56 -0.01 0.00 0.02 0.00 0.00 54.97 54.71 1ikm s GLU 48 Cb -0.07 -2.07 0.03 0.00 0.10 0.00 0.00 34.13 32.11 1ikm s GLU 48 CO 0.17 -0.29 -0.03 -0.51 0.02 0.00 0.00 175.26 174.62 1ikm s LEU 49 N 1.52 0.89 0.13 1.80 1.02 -1.06 -5.00 118.68 117.97 1ikm s LEU 49 Ca 0.04 -0.17 -0.24 0.00 0.02 0.00 0.00 54.13 53.78 1ikm s LEU 49 Cb -0.14 -0.59 -0.07 0.00 0.02 0.00 0.00 46.19 45.41 1ikm s LEU 49 CO -0.10 -0.15 0.72 0.00 0.02 0.00 0.00 176.35 176.84 1ikm s LEU 51 N -1.08 4.31 -0.28 0.00 1.43 -0.81 0.19 118.68 122.45 1ikm s LEU 51 Ca 0.34 0.19 -0.11 0.00 -1.03 0.00 0.00 54.13 53.52 1ikm s LEU 51 Cb -0.22 -2.94 -0.05 0.00 0.03 0.00 0.00 46.19 43.01 1ikm s LEU 51 CO 0.24 0.01 0.18 -0.62 0.23 0.00 0.00 176.35 176.38 1ikm s ASP 52 N -3.40 5.91 0.00 2.29 -1.08 -0.99 -2.77 116.67 116.63 1ikm s ASP 52 Ca 0.35 -0.03 0.15 0.00 -0.52 0.00 0.00 52.55 52.50 1ikm s ASP 52 Cb -0.11 -2.10 0.73 0.00 -1.46 0.00 0.00 42.92 39.99 1ikm s ASP 52 CO 0.29 -0.05 1.46 -0.81 0.52 0.00 0.00 175.17 176.58 1ikm n PRO 53 N 5.04 0.13 0.26 4.34 -0.04 -1.26 -2.91 135.00 140.55 1ikm n PRO 53 Ca -0.14 0.18 0.11 0.00 -0.04 0.00 0.00 63.50 63.60 1ikm n PRO 53 Cb 0.52 -1.50 0.69 0.00 -0.04 0.00 0.00 33.50 33.17 1ikm n PRO 53 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1ikm h LYS 54 N 0.00 0.00 -7.13 0.54 6.56 -1.94 -3.43 116.57 111.17 1ikm h LYS 54 Ca 0.00 0.00 -0.47 0.00 -1.06 0.00 0.00 60.65 59.12 1ikm h LYS 54 Cb 0.19 0.00 0.06 0.00 -0.57 0.00 0.00 32.23 31.91 1ikm h LYS 54 CO 0.00 0.12 0.16 -1.21 -2.06 0.00 0.00 179.45 176.46 1ikm s GLU 55 N -4.41 2.69 0.05 3.15 8.01 -1.15 -4.99 118.70 122.05 1ikm s GLU 55 Ca -0.04 -0.16 0.22 0.00 0.01 0.00 0.00 54.97 55.01 1ikm s GLU 55 Cb 0.14 -2.27 -0.06 0.00 -4.31 0.00 0.00 34.13 27.63 1ikm s GLU 55 CO 0.61 -0.83 0.90 0.09 0.01 0.00 0.00 175.26 176.04 1ikm n ASN 56 N -2.64 0.55 0.11 -0.19 3.02 -1.26 -4.14 115.26 110.71 1ikm n ASN 56 Ca 0.06 -0.17 -0.17 0.00 -0.03 0.00 0.00 54.58 54.27 1ikm n ASN 56 Cb 0.59 1.02 -0.14 0.00 -0.61 0.00 0.00 39.78 40.63 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 0.53 -0.65 3.10 5.08 -1.94 -2.10 115.95 119.97 1ikm h TRP 57 Ca 0.00 -0.38 -0.03 0.00 1.08 0.00 0.00 58.89 59.55 1ikm h TRP 57 Cb 0.80 -0.02 -0.03 0.00 -3.00 0.00 0.00 29.16 26.91 1ikm h TRP 57 CO 0.00 1.31 0.27 0.28 -1.28 0.00 0.00 178.44 179.02 1ikm h VAL 58 N 0.08 1.23 0.00 0.12 2.07 -1.82 0.74 116.25 118.67 1ikm h VAL 58 Ca -0.15 -0.71 -0.07 0.00 0.82 0.00 0.00 66.70 66.60 1ikm h VAL 58 Cb 1.99 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 32.24 1ikm h VAL 58 CO 0.21 0.28 -0.33 0.06 0.02 0.00 0.00 177.57 177.81 1ikm h GLN 59 N 0.90 0.00 0.20 1.57 3.07 -1.72 -2.57 115.11 116.56 1ikm h GLN 59 Ca 0.22 0.00 -0.33 0.00 0.09 0.00 0.00 58.65 58.63 1ikm h GLN 59 Cb 0.18 0.00 0.02 0.00 0.08 0.00 0.00 27.48 27.76 1ikm h GLN 59 CO -0.02 0.33 -1.51 -0.09 0.09 0.00 0.00 178.83 177.63 1ikm h ARG 60 N 0.00 0.41 -0.63 0.06 2.43 -0.89 -2.68 114.38 113.08 1ikm h ARG 60 Ca -0.00 -0.71 -0.08 0.00 -0.81 0.00 0.00 59.98 58.38 1ikm h ARG 60 Cb 1.22 0.26 -0.02 0.00 -0.42 0.00 0.00 29.97 31.01 1ikm h ARG 60 CO 0.04 1.32 0.06 0.28 -1.51 0.00 0.00 179.97 180.17 1ikm h VAL 61 N 0.11 1.26 -0.46 0.20 2.07 0.45 -1.04 116.25 118.85 1ikm h VAL 61 Ca -0.25 -1.08 -0.05 0.00 0.82 0.00 0.00 66.70 66.14 1ikm h VAL 61 Cb 2.10 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 32.58 1ikm h VAL 61 CO 0.22 0.40 0.08 0.58 0.02 0.00 0.00 177.57 178.87 1ikm h VAL 62 N 0.97 1.24 -0.07 2.57 2.07 -1.54 -1.59 116.25 119.91 1ikm h VAL 62 Ca 0.19 -0.89 -0.00 0.00 0.82 0.00 0.00 66.70 66.82 1ikm h VAL 62 Cb 0.49 0.93 -0.00 0.00 -1.52 0.00 0.00 31.29 31.19 1ikm h VAL 62 CO 0.02 0.31 0.05 -0.08 0.02 0.00 0.00 177.57 177.89 1ikm h GLU 63 N 0.62 0.10 -0.12 1.57 4.22 -1.20 -2.01 114.58 117.76 1ikm h GLU 63 Ca 0.14 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.57 1ikm h GLU 63 Cb 0.37 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1ikm h GLU 63 CO 0.01 0.09 0.07 -0.22 -2.18 0.00 0.00 179.01 176.78 1ikm h LYS 64 N 0.07 0.16 -0.22 1.92 3.64 -1.07 0.38 116.57 121.45 1ikm h LYS 64 Ca 0.03 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.36 1ikm h LYS 64 Cb 0.02 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 1ikm h LYS 64 CO -0.01 0.11 0.01 0.35 -2.27 0.00 0.00 179.45 177.64 1ikm h PHE 65 N 0.16 0.41 0.00 1.91 3.57 -0.58 -3.36 116.94 119.05 1ikm h PHE 65 Ca 0.04 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1ikm h PHE 65 Cb -0.01 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 38.62 1ikm h PHE 65 CO 0.00 0.55 -0.10 -0.07 -2.23 0.00 0.00 178.31 176.46 1ikm h LEU 66 N 0.16 0.00 0.11 0.59 3.38 -0.90 -3.48 115.31 115.16 1ikm h LEU 66 Ca 0.06 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.66 1ikm h LEU 66 Cb 0.38 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.22 1ikm h LEU 66 CO 0.01 0.29 -0.60 0.29 0.09 0.00 0.00 178.44 178.52 1ikm n LYS 67 N -3.36 -5.91 -3.82 1.13 4.76 0.13 -4.96 118.16 106.13 1ikm n LYS 67 Ca -0.01 0.82 -0.02 0.00 -2.87 0.00 0.00 58.31 56.23 1ikm n LYS 67 Cb 0.05 -5.63 0.01 0.00 -1.84 0.00 0.00 35.03 27.62 1ikm n LYS 67 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 1ikm s ARG 68 N -5.90 1.00 -0.24 1.97 1.70 -1.26 -5.11 118.95 111.11 1ikm s ARG 68 Ca 0.40 -0.61 -0.12 0.00 -0.47 0.00 0.00 55.73 54.93 1ikm s ARG 68 Cb -0.18 0.30 -0.05 0.00 -0.57 0.00 0.00 34.95 34.46 1ikm s ARG 68 CO 0.50 -0.47 0.25 0.00 -1.08 0.00 0.00 175.30 174.50 1ikm s ALA 69 N -2.46 3.58 0.12 7.88 0.00 -1.26 -4.91 121.76 124.71 1ikm s ALA 69 Ca 0.19 -0.84 0.00 0.00 0.00 0.00 0.00 51.96 51.31 1ikm s ALA 69 Cb -0.01 -2.48 0.00 0.00 0.00 0.00 0.00 23.12 20.63 1ikm s ALA 69 CO 0.02 -0.35 0.00 0.39 0.00 0.00 0.00 175.76 175.82 1ikm n GLU 70 N 4.63 0.00 -0.80 0.00 1.02 -1.26 -5.16 120.64 119.07 1ikm n GLU 70 Ca -0.12 0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.12 1ikm n GLU 70 Cb 0.52 -0.19 -0.05 0.00 -0.02 0.00 0.00 31.44 31.70 1ikm n GLU 70 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1ikm n ASN 71 N -3.13 -4.61 -0.33 1.62 2.85 -1.26 -5.32 115.26 105.08 1ikm n ASN 71 Ca 0.00 0.69 0.04 0.00 -0.11 0.00 0.00 54.58 55.20 1ikm n ASN 71 Cb 0.08 -2.68 0.03 0.00 1.24 0.00 0.00 39.78 38.45 1ikm n ASN 71 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95