#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 2.16 0.00 -1.84 2.96 -1.26 -4.98 118.68 115.72 1ikm s LEU 5 Ca 0.00 -0.48 -0.10 0.00 -0.22 0.00 0.00 54.13 53.33 1ikm s LEU 5 Cb 0.00 -1.35 0.15 0.00 0.50 0.00 0.00 46.19 45.49 1ikm s LEU 5 CO 0.00 0.30 0.46 -2.11 -1.32 0.00 0.00 176.35 173.68 1ikm n ARG 6 N 2.21 -2.38 -1.92 1.98 0.00 -1.26 -4.61 116.66 110.69 1ikm n ARG 6 Ca -0.16 -0.75 -0.42 0.00 -0.00 0.00 0.00 57.85 56.52 1ikm n ARG 6 Cb 0.51 -0.77 -0.03 0.00 -0.00 0.00 0.00 32.46 32.17 1ikm n ARG 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ikm n GLN 8 N 6.69 0.73 -3.62 0.00 6.02 -1.26 -4.65 117.38 121.28 1ikm n GLN 8 Ca 0.17 -0.06 -0.40 0.00 -0.01 0.00 0.00 57.00 56.70 1ikm n GLN 8 Cb 0.42 -1.50 -0.11 0.00 1.02 0.00 0.00 30.24 30.06 1ikm n GLN 8 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ikm h ILE 10 N 5.90 1.30 -3.72 0.00 2.04 -2.03 -3.46 117.51 117.55 1ikm h ILE 10 Ca -0.26 -2.61 -0.29 0.00 1.00 0.00 0.00 64.86 62.70 1ikm h ILE 10 Cb 1.10 2.49 -0.17 0.00 -0.74 0.00 0.00 36.82 39.51 1ikm h ILE 10 CO 0.66 0.69 -0.72 -1.59 0.00 0.00 0.00 178.15 177.19 1ikm s LYS 11 N -3.03 0.85 0.00 2.37 -2.85 -1.26 -5.17 119.74 110.65 1ikm s LYS 11 Ca 0.01 -1.23 0.00 0.00 -1.00 0.00 0.00 55.97 53.76 1ikm s LYS 11 Cb 0.10 -0.42 0.00 0.00 -2.06 0.00 0.00 37.83 35.44 1ikm s LYS 11 CO 0.77 0.05 0.00 0.25 0.10 0.00 0.00 175.35 176.52 1ikm n THR 12 N 0.32 0.00 -3.95 3.79 -2.24 -1.26 -4.57 114.28 106.37 1ikm n THR 12 Ca -0.14 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.30 1ikm n THR 12 Cb 0.59 -0.23 -0.14 0.00 -2.10 0.00 0.00 70.33 68.45 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 -0.19 3.35 0.04 4.78 5.04 0.35 -4.85 117.35 125.86 1ikm s TYR 13 Ca 0.00 -2.15 0.09 0.00 -2.44 0.00 0.00 57.07 52.56 1ikm s TYR 13 Cb 0.00 -2.26 -0.22 0.00 0.35 0.00 0.00 41.96 39.83 1ikm s TYR 13 CO 0.00 -0.85 0.97 1.03 -1.34 0.00 0.00 175.55 175.36 1ikm h SER 14 N 7.91 0.03 -3.74 4.32 0.87 -1.92 -3.04 113.55 117.99 1ikm h SER 14 Ca -0.18 -0.05 -0.51 0.00 -1.23 0.00 0.00 61.79 59.82 1ikm h SER 14 Cb 1.05 -0.01 0.01 0.00 -0.44 0.00 0.00 62.40 63.01 1ikm h SER 14 CO 0.53 1.04 0.47 -0.54 -0.53 0.00 0.00 176.83 177.80 1ikm s LYS 15 N -2.65 4.64 0.57 2.24 -0.14 -1.26 -5.01 119.74 118.13 1ikm s LYS 15 Ca -0.02 1.77 -0.09 0.00 -1.36 0.00 0.00 55.97 56.27 1ikm s LYS 15 Cb 0.09 -3.22 -0.04 0.00 -1.68 0.00 0.00 37.83 32.99 1ikm s LYS 15 CO 0.82 0.19 0.94 -1.25 -0.76 0.00 0.00 175.35 175.30 1ikm s PRO 16 N -1.15 3.53 0.09 -1.68 0.04 -1.26 -5.04 135.00 129.53 1ikm s PRO 16 Ca 0.46 0.51 -0.25 0.00 0.04 0.00 0.00 61.00 61.75 1ikm s PRO 16 Cb -0.31 -2.19 0.07 0.00 0.04 0.00 0.00 34.50 32.11 1ikm s PRO 16 CO 0.39 -0.46 0.64 -0.59 0.04 0.00 0.00 177.00 177.02 1ikm s PHE 17 N -3.02 -0.56 0.28 0.56 -0.71 -1.26 -5.14 117.98 108.13 1ikm s PHE 17 Ca 0.52 0.54 -0.29 0.00 -1.04 0.00 0.00 56.93 56.65 1ikm s PHE 17 Cb -0.11 0.52 -0.10 0.00 -1.21 0.00 0.00 43.02 42.12 1ikm s PHE 17 CO 0.50 -0.77 1.37 -1.58 -1.34 0.00 0.00 175.22 173.41 1ikm s HIS 18 N -3.02 3.05 0.06 3.49 5.65 -1.26 -4.96 115.29 118.30 1ikm s HIS 18 Ca -0.02 1.22 -0.14 0.00 0.25 0.00 0.00 55.06 56.37 1ikm s HIS 18 Cb -0.01 -3.74 -0.27 0.00 -1.18 0.00 0.00 32.58 27.38 1ikm s HIS 18 CO -0.07 -2.24 1.13 -1.00 -0.65 0.00 0.00 174.74 171.91 1ikm h PRO 19 N 4.33 0.64 -0.67 2.88 0.13 -1.97 -3.34 132.00 133.99 1ikm h PRO 19 Ca -0.47 -0.80 0.20 0.00 -0.87 0.00 0.00 66.00 64.05 1ikm h PRO 19 Cb 1.22 0.26 -0.03 0.00 0.13 0.00 0.00 31.00 32.58 1ikm h PRO 19 CO 0.72 1.36 0.62 -0.22 -0.23 0.00 0.00 178.00 180.25 1ikm h LYS 20 N 0.30 0.00 -0.85 0.86 3.64 -1.99 0.40 116.57 118.94 1ikm h LYS 20 Ca -0.17 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.20 1ikm h LYS 20 Cb 1.86 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.64 1ikm h LYS 20 CO 0.23 0.00 0.49 0.74 -2.27 0.00 0.00 179.45 178.64 1ikm h PHE 21 N 0.00 1.14 -2.10 1.91 0.04 -1.98 -3.41 116.94 112.54 1ikm h PHE 21 Ca 0.32 -0.01 -0.58 0.00 2.80 0.00 0.00 57.97 60.50 1ikm h PHE 21 Cb 1.56 -0.37 0.01 0.00 2.20 0.00 0.00 35.95 39.35 1ikm h PHE 21 CO 0.00 0.78 1.25 -0.89 -0.60 0.00 0.00 178.31 178.84 1ikm n ILE 22 N -4.35 0.60 0.07 -0.55 5.41 0.14 -0.81 119.36 119.87 1ikm n ILE 22 Ca 0.09 -0.19 -0.04 0.00 1.00 0.00 0.00 62.75 63.60 1ikm n ILE 22 Cb 0.08 -2.17 -0.08 0.00 -0.71 0.00 0.00 39.64 36.75 1ikm n ILE 22 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 1ikm h LYS 23 N 11.04 0.00 0.00 0.38 3.11 -0.82 -3.46 116.57 126.82 1ikm h LYS 23 Ca -0.47 0.00 -0.14 0.00 -2.81 0.00 0.00 60.65 57.24 1ikm h LYS 23 Cb 1.26 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 32.45 1ikm h LYS 23 CO 0.95 0.77 -0.09 0.39 -2.81 0.00 0.00 179.45 178.66 1ikm n GLU 24 N -3.25 0.27 0.00 1.90 1.02 -1.23 -4.99 120.64 114.36 1ikm n GLU 24 Ca -0.02 -1.24 0.00 0.00 -0.02 0.00 0.00 57.16 55.88 1ikm n GLU 24 Cb 0.90 1.15 0.00 0.00 -0.02 0.00 0.00 31.44 33.47 1ikm n GLU 24 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 1ikm n ARG 26 N -0.25 0.00 -3.97 3.49 1.85 -0.61 -1.42 116.66 115.76 1ikm n ARG 26 Ca 0.01 0.00 -0.32 0.00 -1.00 0.00 0.00 57.85 56.54 1ikm n ARG 26 Cb 0.25 0.00 -0.05 0.00 -1.05 0.00 0.00 32.46 31.61 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 5.17 -0.25 8.89 -7.23 -1.26 -1.48 120.40 124.24 1ikm s VAL 27 Ca 0.00 -0.33 -0.09 0.00 -1.81 0.00 0.00 61.98 59.75 1ikm s VAL 27 Cb 0.00 -3.44 -0.04 0.00 0.56 0.00 0.00 36.38 33.46 1ikm s VAL 27 CO 0.00 0.27 0.13 -0.63 -0.31 0.00 0.00 175.10 174.56 1ikm s ILE 28 N -1.34 4.95 1.22 -0.62 1.01 -0.37 -4.93 121.20 121.11 1ikm s ILE 28 Ca 0.28 0.04 -0.17 0.00 0.00 0.00 0.00 60.65 60.80 1ikm s ILE 28 Cb -0.13 -3.32 0.29 0.00 0.01 0.00 0.00 42.46 39.32 1ikm s ILE 28 CO 0.20 0.32 1.04 -1.83 0.00 0.00 0.00 174.94 174.67 1ikm s GLU 29 N 1.41 -1.31 0.28 2.79 -1.05 -1.26 -3.05 118.70 116.51 1ikm s GLU 29 Ca 0.06 0.30 0.04 0.00 -0.15 0.00 0.00 54.97 55.22 1ikm s GLU 29 Cb -0.15 -1.55 -0.03 0.00 -0.44 0.00 0.00 34.13 31.96 1ikm s GLU 29 CO 0.06 -3.85 0.42 -1.54 0.95 0.00 0.00 175.26 171.31 1ikm s SER 30 N -3.29 6.24 0.00 0.83 1.04 -1.26 -4.78 113.70 112.48 1ikm s SER 30 Ca 0.69 0.11 0.00 0.00 0.48 0.00 0.00 55.95 57.22 1ikm s SER 30 Cb -0.16 -1.78 0.00 0.00 0.10 0.00 0.00 66.02 64.18 1ikm s SER 30 CO 0.59 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 175.23 1ikm n GLY 31 N -1.54 1.57 0.17 7.32 0.00 -0.28 -4.97 105.19 107.46 1ikm n GLY 31 Ca -0.06 -0.53 -0.09 0.00 0.00 0.00 0.00 46.02 45.34 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 0.36 -0.90 1.61 0.13 -1.98 -3.12 132.00 128.10 1ikm h PRO 32 Ca 0.00 -0.30 -0.01 0.00 -0.87 0.00 0.00 66.00 64.81 1ikm h PRO 32 Cb 0.00 0.06 -0.04 0.00 0.13 0.00 0.00 31.00 31.15 1ikm h PRO 32 CO 0.00 0.95 0.51 1.12 -0.23 0.00 0.00 178.00 180.35 1ikm h HIS 33 N 0.25 1.22 -3.16 1.56 2.07 -1.94 -3.41 115.15 111.74 1ikm h HIS 33 Ca -0.03 -0.02 -0.31 0.00 -2.85 0.00 0.00 60.37 57.16 1ikm h HIS 33 Cb 1.31 -0.39 -0.36 0.00 2.57 0.00 0.00 27.41 30.53 1ikm h HIS 33 CO 0.04 0.83 -0.66 0.00 -3.07 0.00 0.00 177.93 175.07 1ikm h ALA 35 N 8.29 0.99 -2.69 0.00 0.00 -1.80 -0.74 119.26 123.31 1ikm h ALA 35 Ca -0.15 -0.38 -0.57 0.00 0.00 0.00 0.00 54.91 53.80 1ikm h ALA 35 Cb 1.12 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 1ikm h ALA 35 CO 0.17 0.60 -0.45 -0.80 0.00 0.00 0.00 179.25 178.77 1ikm s ASN 36 N -6.82 6.36 0.22 0.00 0.01 -1.26 -4.69 114.94 108.76 1ikm s ASN 36 Ca -0.07 0.27 -0.02 0.00 -0.71 0.00 0.00 52.86 52.32 1ikm s ASN 36 Cb 0.13 -1.95 -0.05 0.00 0.41 0.00 0.00 41.25 39.79 1ikm s ASN 36 CO 0.81 0.08 0.43 -0.89 -1.51 0.00 0.00 177.10 176.02 1ikm s THR 37 N -1.67 5.16 -0.03 1.60 2.01 -1.26 -4.68 115.64 116.77 1ikm s THR 37 Ca 0.36 -0.22 -0.12 0.00 0.31 0.00 0.00 61.69 62.02 1ikm s THR 37 Cb -0.12 -3.72 0.02 0.00 0.01 0.00 0.00 72.50 68.69 1ikm s THR 37 CO 0.28 -0.19 0.26 -0.70 -0.69 0.00 0.00 174.62 173.59 1ikm s GLU 38 N -3.31 0.55 0.34 4.92 2.56 -1.17 -4.92 118.70 117.68 1ikm s GLU 38 Ca 0.40 -0.12 -0.00 0.00 0.00 0.00 0.00 54.97 55.24 1ikm s GLU 38 Cb -0.11 0.25 -0.04 0.00 2.00 0.00 0.00 34.13 36.23 1ikm s GLU 38 CO 0.29 -0.14 0.55 0.42 -0.56 0.00 0.00 175.26 175.82 1ikm s ILE 39 N -1.04 5.10 -0.31 -3.70 1.01 -1.15 -1.24 121.20 119.87 1ikm s ILE 39 Ca -0.11 -0.37 0.02 0.00 0.00 0.00 0.00 60.65 60.19 1ikm s ILE 39 Cb -0.05 -3.84 0.16 0.00 0.01 0.00 0.00 42.46 38.74 1ikm s ILE 39 CO 0.03 -0.52 0.40 -0.63 0.00 0.00 0.00 174.94 174.22 1ikm s ILE 40 N -2.28 -0.56 0.47 2.92 1.01 -0.55 -1.86 121.20 120.35 1ikm s ILE 40 Ca 0.41 -0.45 0.02 0.00 0.00 0.00 0.00 60.65 60.63 1ikm s ILE 40 Cb -0.10 -0.86 0.01 0.00 0.01 0.00 0.00 42.46 41.52 1ikm s ILE 40 CO 0.35 -0.36 0.67 0.68 0.00 0.00 0.00 174.94 176.28 1ikm s VAL 41 N 2.24 3.42 -0.35 2.92 -7.23 -0.98 -1.57 120.40 118.85 1ikm s VAL 41 Ca 0.11 -0.69 0.01 0.00 -1.81 0.00 0.00 61.98 59.61 1ikm s VAL 41 Cb -0.13 -3.24 0.11 0.00 0.56 0.00 0.00 36.38 33.68 1ikm s VAL 41 CO -0.24 -0.15 0.12 -0.54 -0.31 0.00 0.00 175.10 173.98 1ikm s LYS 42 N -4.55 0.99 0.54 4.82 1.02 -0.51 -2.41 119.74 119.64 1ikm s LYS 42 Ca 0.52 -1.44 -0.20 0.00 0.02 0.00 0.00 55.97 54.87 1ikm s LYS 42 Cb -0.10 -2.30 -0.08 0.00 -0.52 0.00 0.00 37.83 34.84 1ikm s LYS 42 CO 0.37 -1.02 0.86 1.28 -0.92 0.00 0.00 175.35 175.92 1ikm n LEU 43 N 4.43 2.58 0.32 3.17 4.77 -0.03 -0.19 117.00 132.05 1ikm n LEU 43 Ca 0.01 0.86 0.20 0.00 -0.03 0.00 0.00 56.01 57.05 1ikm n LEU 43 Cb 0.40 -1.32 1.07 0.00 -2.33 0.00 0.00 43.42 41.25 1ikm n LEU 43 CO 0.16 -2.07 1.17 0.77 -1.33 0.00 0.00 177.39 176.09 1ikm h SER 44 N 0.73 0.00 -0.07 -1.43 4.64 -1.29 -1.53 113.55 114.61 1ikm h SER 44 Ca -0.46 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.85 1ikm h SER 44 Cb 1.37 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.45 1ikm h SER 44 CO 0.52 0.00 0.01 0.47 -0.87 0.00 0.00 176.83 176.96 1ikm n ASP 45 N -3.22 1.74 -1.45 4.97 9.92 -1.26 -4.79 116.55 122.46 1ikm n ASP 45 Ca -0.02 -2.11 -0.11 0.00 -0.53 0.00 0.00 54.79 52.02 1ikm n ASP 45 Cb 0.16 -0.52 0.01 0.00 -0.64 0.00 0.00 41.12 40.12 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 0.11 0.02 3.74 0.44 0.00 -0.59 -5.03 105.19 103.88 1ikm n GLY 46 Ca 0.03 -0.38 -0.23 0.00 0.00 0.00 0.00 46.02 45.45 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 -4.86 2.49 -0.10 1.61 6.06 -1.12 -4.95 118.95 118.09 1ikm s ARG 47 Ca 0.09 -1.39 -0.02 0.00 -2.50 0.00 0.00 55.73 51.91 1ikm s ARG 47 Cb -0.04 -2.28 0.04 0.00 0.06 0.00 0.00 34.95 32.73 1ikm s ARG 47 CO 0.11 0.23 0.03 -2.00 -2.50 0.00 0.00 175.30 171.17 1ikm s GLU 48 N -3.82 0.45 -0.11 5.12 2.12 -1.26 -0.85 118.70 120.35 1ikm s GLU 48 Ca 0.35 0.05 0.01 0.00 0.36 0.00 0.00 54.97 55.75 1ikm s GLU 48 Cb -0.05 -1.17 0.02 0.00 0.26 0.00 0.00 34.13 33.19 1ikm s GLU 48 CO 0.23 -0.40 -0.14 -0.51 -0.54 0.00 0.00 175.26 173.90 1ikm s LEU 49 N 2.00 1.64 0.13 2.70 1.02 -1.01 -4.99 118.68 120.17 1ikm s LEU 49 Ca 0.04 -0.41 -0.30 0.00 0.02 0.00 0.00 54.13 53.49 1ikm s LEU 49 Cb -0.13 -1.04 -0.06 0.00 0.02 0.00 0.00 46.19 44.97 1ikm s LEU 49 CO -0.06 -0.01 0.94 0.00 0.02 0.00 0.00 176.35 177.25 1ikm s LEU 51 N -0.20 4.21 -0.29 0.00 1.02 -0.78 0.13 118.68 122.77 1ikm s LEU 51 Ca 0.45 0.31 -0.08 0.00 0.02 0.00 0.00 54.13 54.84 1ikm s LEU 51 Cb -0.24 -3.10 -0.00 0.00 0.02 0.00 0.00 46.19 42.87 1ikm s LEU 51 CO 0.30 -0.10 0.10 -0.62 0.02 0.00 0.00 176.35 176.05 1ikm s ASP 52 N -3.56 5.26 0.00 2.29 2.15 -1.15 -2.92 116.67 118.74 1ikm s ASP 52 Ca 0.37 -0.57 0.14 0.00 0.43 0.00 0.00 52.55 52.92 1ikm s ASP 52 Cb -0.10 -1.93 0.67 0.00 -0.30 0.00 0.00 42.92 41.26 1ikm s ASP 52 CO 0.31 -0.17 1.41 -0.81 -0.17 0.00 0.00 175.17 175.74 1ikm n PRO 53 N 4.91 0.12 0.26 4.34 -0.04 -1.26 -2.94 135.00 140.39 1ikm n PRO 53 Ca -0.15 0.20 0.10 0.00 -0.04 0.00 0.00 63.50 63.61 1ikm n PRO 53 Cb 0.49 -1.50 0.69 0.00 -0.04 0.00 0.00 33.50 33.13 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 -7.32 0.54 3.64 -1.97 -3.43 116.57 108.03 1ikm h LYS 54 Ca 0.00 0.00 -0.46 0.00 -1.27 0.00 0.00 60.65 58.92 1ikm h LYS 54 Cb 0.18 0.00 0.09 0.00 -0.41 0.00 0.00 32.23 32.09 1ikm h LYS 54 CO 0.00 0.11 0.22 -1.21 -2.27 0.00 0.00 179.45 176.30 1ikm s GLU 55 N -4.49 1.85 0.03 1.90 2.02 -1.15 -5.00 118.70 113.86 1ikm s GLU 55 Ca -0.04 -0.49 0.22 0.00 0.02 0.00 0.00 54.97 54.69 1ikm s GLU 55 Cb 0.15 -2.17 -0.15 0.00 0.10 0.00 0.00 34.13 32.06 1ikm s GLU 55 CO 0.62 -1.44 0.80 0.09 0.02 0.00 0.00 175.26 175.35 1ikm n ASN 56 N -3.01 0.46 0.12 -0.19 3.02 -1.26 -3.99 115.26 110.40 1ikm n ASN 56 Ca 0.11 -0.16 -0.19 0.00 -0.03 0.00 0.00 54.58 54.31 1ikm n ASN 56 Cb 0.60 1.24 -0.14 0.00 -0.61 0.00 0.00 39.78 40.88 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 0.69 -0.44 3.10 5.08 -1.94 -1.37 115.95 121.07 1ikm h TRP 57 Ca 0.00 -0.49 -0.06 0.00 1.08 0.00 0.00 58.89 59.42 1ikm h TRP 57 Cb 0.84 -0.03 -0.02 0.00 -3.00 0.00 0.00 29.16 26.95 1ikm h TRP 57 CO 0.00 1.37 0.02 0.28 -1.28 0.00 0.00 178.44 178.84 1ikm h VAL 58 N 0.12 1.26 0.00 0.12 2.07 -1.81 0.75 116.25 118.76 1ikm h VAL 58 Ca -0.17 -0.99 -0.12 0.00 0.82 0.00 0.00 66.70 66.24 1ikm h VAL 58 Cb 2.00 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 32.80 1ikm h VAL 58 CO 0.23 0.34 -0.55 0.06 0.02 0.00 0.00 177.57 177.67 1ikm h GLN 59 N 0.60 0.00 0.24 1.57 3.07 -1.69 -1.33 115.11 117.57 1ikm h GLN 59 Ca 0.13 0.00 -0.34 0.00 0.09 0.00 0.00 58.65 58.53 1ikm h GLN 59 Cb 0.45 0.00 0.03 0.00 0.08 0.00 0.00 27.48 28.05 1ikm h GLN 59 CO 0.02 0.55 -1.53 0.00 0.09 0.00 0.00 178.83 177.96 1ikm h ARG 60 N 0.00 0.50 -0.63 0.06 2.47 -0.97 -2.51 114.38 113.29 1ikm h ARG 60 Ca -0.01 -0.86 -0.06 0.00 -1.26 0.00 0.00 59.98 57.79 1ikm h ARG 60 Cb 1.17 0.32 -0.03 0.00 -1.65 0.00 0.00 29.97 29.78 1ikm h ARG 60 CO 0.07 1.41 0.16 0.28 0.56 0.00 0.00 179.97 182.45 1ikm h VAL 61 N 0.12 1.25 -0.48 2.04 2.07 0.53 0.11 116.25 121.89 1ikm h VAL 61 Ca -0.28 -0.92 -0.11 0.00 0.82 0.00 0.00 66.70 66.21 1ikm h VAL 61 Cb 2.14 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 32.53 1ikm h VAL 61 CO 0.25 0.35 -0.14 0.58 0.02 0.00 0.00 177.57 178.62 1ikm h VAL 62 N 0.93 1.27 -0.27 2.57 2.07 -1.32 0.01 116.25 121.51 1ikm h VAL 62 Ca 0.20 -1.28 -0.12 0.00 0.82 0.00 0.00 66.70 66.32 1ikm h VAL 62 Cb 0.35 1.05 -0.00 0.00 -1.52 0.00 0.00 31.29 31.17 1ikm h VAL 62 CO 0.00 0.44 -0.31 -0.08 0.02 0.00 0.00 177.57 177.64 1ikm h GLU 63 N 0.82 0.69 -0.11 1.57 4.22 -1.13 0.50 114.58 121.14 1ikm h GLU 63 Ca 0.12 -0.38 -0.09 0.00 0.08 0.00 0.00 59.36 59.09 1ikm h GLU 63 Cb 0.69 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 1ikm h GLU 63 CO 0.05 0.99 -0.35 -0.22 -2.18 0.00 0.00 179.01 177.31 1ikm h LYS 64 N 0.43 0.23 0.00 1.92 1.63 -0.68 0.47 116.57 120.57 1ikm h LYS 64 Ca 0.04 -0.09 -0.12 0.00 -0.85 0.00 0.00 60.65 59.63 1ikm h LYS 64 Cb 0.89 -0.01 0.01 0.00 -0.60 0.00 0.00 32.23 32.52 1ikm h LYS 64 CO 0.08 0.55 -0.45 0.35 -3.45 0.00 0.00 179.45 176.52 1ikm h PHE 65 N 0.20 0.45 0.03 1.91 3.57 -0.86 -3.37 116.94 118.85 1ikm h PHE 65 Ca 0.02 -0.25 -0.00 0.00 3.53 0.00 0.00 57.97 61.28 1ikm h PHE 65 Cb 0.71 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.40 1ikm h PHE 65 CO 0.01 1.06 -0.01 1.25 -2.23 0.00 0.00 178.31 178.39 1ikm h LEU 66 N -0.30 -0.03 -2.18 0.59 5.85 -0.84 -3.49 115.31 114.91 1ikm h LEU 66 Ca -0.06 -0.47 -0.24 0.00 0.84 0.00 0.00 57.88 57.96 1ikm h LEU 66 Cb 1.19 0.01 0.16 0.00 0.37 0.00 0.00 40.66 42.39 1ikm h LEU 66 CO 0.09 0.69 -0.68 1.17 -0.34 0.00 0.00 178.44 179.36 1ikm n LYS 67 N -4.73 -3.44 -0.98 1.25 3.00 0.16 -4.77 118.16 108.64 1ikm n LYS 67 Ca -0.05 0.72 0.12 0.00 -0.00 0.00 0.00 58.31 59.10 1ikm n LYS 67 Cb 0.24 -5.20 -0.05 0.00 0.00 0.00 0.00 35.03 30.02 1ikm n LYS 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1ikm n ARG 68 N -3.23 -2.16 -3.73 1.64 1.74 -1.26 -5.07 116.66 104.60 1ikm n ARG 68 Ca -0.14 1.64 -0.05 0.00 -0.77 0.00 0.00 57.85 58.53 1ikm n ARG 68 Cb 0.62 -2.56 -0.02 0.00 -1.02 0.00 0.00 32.46 29.48 1ikm n ARG 68 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ikm s ALA 69 N -3.03 -1.59 0.62 7.54 0.00 -1.26 -5.17 121.76 118.87 1ikm s ALA 69 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.12 1ikm s ALA 69 Cb 0.00 0.67 0.00 0.00 0.00 0.00 0.00 23.12 23.79 1ikm s ALA 69 CO 0.00 -0.99 0.00 0.39 0.00 0.00 0.00 175.76 175.16 1ikm n GLU 70 N -0.44 1.83 0.01 0.00 1.02 -1.26 -5.04 120.64 116.77 1ikm n GLU 70 Ca -0.07 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.03 1ikm n GLU 70 Cb 0.61 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 32.00 1ikm n GLU 70 CO 0.00 0.00 0.00 -0.97 1.18 0.00 0.00 177.13 177.34 1ikm h ASN 71 N 0.00 -0.13 0.00 1.62 -0.73 -2.08 -3.56 115.58 110.69 1ikm h ASN 71 Ca 0.00 -0.12 0.00 0.00 1.87 0.00 0.00 56.30 58.05 1ikm h ASN 71 Cb 0.00 0.03 0.00 0.00 0.27 0.00 0.00 38.32 38.62 1ikm h ASN 71 CO 0.00 0.41 0.00 -0.24 -0.37 0.00 0.00 177.43 177.23