#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 0.39 0.00 -1.84 2.34 -1.26 -5.12 118.68 113.18 1ikm s LEU 5 Ca 0.00 -1.28 -0.21 0.00 0.06 0.00 0.00 54.13 52.69 1ikm s LEU 5 Cb 0.00 2.35 0.33 0.00 -0.56 0.00 0.00 46.19 48.31 1ikm s LEU 5 CO 0.00 -1.56 0.87 0.54 -1.06 0.00 0.00 176.35 175.15 1ikm n ARG 6 N -0.55 -4.10 -1.68 1.48 1.74 -1.26 -4.66 116.66 107.64 1ikm n ARG 6 Ca -0.05 -1.44 -0.43 0.00 -0.77 0.00 0.00 57.85 55.15 1ikm n ARG 6 Cb 0.60 -1.67 -0.03 0.00 -1.02 0.00 0.00 32.46 30.34 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 9.43 0.00 -4.46 0.00 4.20 -2.01 -3.38 115.11 118.89 1ikm h GLN 8 Ca -0.48 0.00 -0.72 0.00 0.06 0.00 0.00 58.65 57.51 1ikm h GLN 8 Cb 1.24 0.00 -0.24 0.00 0.30 0.00 0.00 27.48 28.78 1ikm h GLN 8 CO 0.94 0.00 -0.44 0.00 -0.67 0.00 0.00 178.83 178.67 1ikm h ILE 10 N 5.84 1.12 -2.54 0.00 5.03 -2.01 -3.45 117.51 121.50 1ikm h ILE 10 Ca -0.26 -1.47 -0.51 0.00 -0.12 0.00 0.00 64.86 62.50 1ikm h ILE 10 Cb 1.10 1.83 -0.14 0.00 -3.03 0.00 0.00 36.82 36.59 1ikm h ILE 10 CO 0.76 0.40 -0.64 -0.75 -0.68 0.00 0.00 178.15 177.23 1ikm s LYS 11 N -3.88 1.66 0.00 2.37 2.20 -1.26 -5.16 119.74 115.66 1ikm s LYS 11 Ca -0.02 -1.88 0.00 0.00 -0.36 0.00 0.00 55.97 53.71 1ikm s LYS 11 Cb 0.13 -1.15 0.00 0.00 -1.51 0.00 0.00 37.83 35.30 1ikm s LYS 11 CO 0.71 -0.05 0.00 0.25 -0.36 0.00 0.00 175.35 175.90 1ikm n THR 12 N -0.68 0.00 -4.03 3.43 -2.24 -1.26 -4.65 114.28 104.85 1ikm n THR 12 Ca -0.04 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.40 1ikm n THR 12 Cb 0.65 0.00 -0.15 0.00 -2.10 0.00 0.00 70.33 68.73 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 -1.04 3.04 -0.08 4.78 5.04 0.24 -4.84 117.35 124.49 1ikm s TYR 13 Ca 0.00 -1.76 -0.00 0.00 -2.44 0.00 0.00 57.07 52.87 1ikm s TYR 13 Cb 0.00 -1.99 -0.25 0.00 0.35 0.00 0.00 41.96 40.06 1ikm s TYR 13 CO 0.00 -0.78 0.51 1.03 -1.34 0.00 0.00 175.55 174.96 1ikm h SER 14 N 7.94 0.28 -3.69 4.32 0.87 -1.93 -3.02 113.55 118.32 1ikm h SER 14 Ca -0.33 -0.62 -0.51 0.00 -1.23 0.00 0.00 61.79 59.10 1ikm h SER 14 Cb 1.10 -0.09 0.02 0.00 -0.44 0.00 0.00 62.40 62.99 1ikm h SER 14 CO 0.56 1.55 0.53 -0.54 -0.53 0.00 0.00 176.83 178.41 1ikm s LYS 15 N -2.58 4.54 0.58 2.24 1.02 -1.26 -5.01 119.74 119.27 1ikm s LYS 15 Ca -0.15 1.90 -0.08 0.00 0.02 0.00 0.00 55.97 57.65 1ikm s LYS 15 Cb 0.07 -3.19 -0.02 0.00 -0.52 0.00 0.00 37.83 34.17 1ikm s LYS 15 CO 0.80 0.04 0.93 -1.25 -0.92 0.00 0.00 175.35 174.94 1ikm s PRO 16 N -1.04 3.36 0.16 -1.68 0.04 -1.26 -5.06 135.00 129.51 1ikm s PRO 16 Ca 0.48 0.38 -0.23 0.00 0.04 0.00 0.00 61.00 61.67 1ikm s PRO 16 Cb -0.33 -2.21 0.06 0.00 0.04 0.00 0.00 34.50 32.06 1ikm s PRO 16 CO 0.41 -0.53 0.68 -0.59 0.04 0.00 0.00 177.00 177.01 1ikm s PHE 17 N -3.01 -0.43 0.29 0.56 -0.71 -1.26 -5.15 117.98 108.27 1ikm s PHE 17 Ca 0.53 0.18 -0.29 0.00 -1.04 0.00 0.00 56.93 56.30 1ikm s PHE 17 Cb -0.11 0.59 -0.10 0.00 -1.21 0.00 0.00 43.02 42.19 1ikm s PHE 17 CO 0.49 -0.88 1.31 -1.58 -1.34 0.00 0.00 175.22 173.22 1ikm s HIS 18 N -3.68 3.13 -0.01 3.49 5.65 -1.26 -4.97 115.29 117.64 1ikm s HIS 18 Ca 0.04 1.34 -0.20 0.00 0.25 0.00 0.00 55.06 56.48 1ikm s HIS 18 Cb -0.02 -3.66 -0.25 0.00 -1.18 0.00 0.00 32.58 27.47 1ikm s HIS 18 CO -0.08 -1.89 1.05 -1.00 -0.65 0.00 0.00 174.74 172.17 1ikm h PRO 19 N 4.08 0.38 -0.33 2.88 0.13 -1.97 -3.32 132.00 133.85 1ikm h PRO 19 Ca -0.47 -0.46 0.10 0.00 -0.87 0.00 0.00 66.00 64.30 1ikm h PRO 19 Cb 1.22 0.14 -0.01 0.00 0.13 0.00 0.00 31.00 32.48 1ikm h PRO 19 CO 0.70 1.14 0.51 -0.22 -0.23 0.00 0.00 178.00 179.89 1ikm h LYS 20 N -0.17 0.00 -0.87 0.86 1.63 -1.96 0.25 116.57 116.32 1ikm h LYS 20 Ca -0.09 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.71 1ikm h LYS 20 Cb 1.39 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 32.98 1ikm h LYS 20 CO 0.13 0.00 0.52 0.74 -3.45 0.00 0.00 179.45 177.39 1ikm h PHE 21 N 0.00 1.14 -2.56 1.91 0.04 -1.98 -3.41 116.94 112.07 1ikm h PHE 21 Ca 0.16 -0.00 -0.53 0.00 2.80 0.00 0.00 57.97 60.39 1ikm h PHE 21 Cb 1.17 -0.37 0.02 0.00 2.20 0.00 0.00 35.95 38.97 1ikm h PHE 21 CO 0.00 0.76 1.09 0.42 -0.60 0.00 0.00 178.31 179.98 1ikm s ILE 22 N -5.98 2.98 -0.12 -0.55 -1.09 0.89 -0.99 121.20 116.35 1ikm s ILE 22 Ca -0.13 0.30 0.17 0.00 -2.23 0.00 0.00 60.65 58.76 1ikm s ILE 22 Cb 0.16 -3.19 -0.15 0.00 -1.58 0.00 0.00 42.46 37.70 1ikm s ILE 22 CO 0.81 -0.01 0.78 1.17 -1.23 0.00 0.00 174.94 176.46 1ikm n LYS 23 N 6.29 0.62 -4.32 2.79 4.81 0.55 -4.84 118.16 124.05 1ikm n LYS 23 Ca 0.17 0.20 -0.18 0.00 -0.87 0.00 0.00 58.31 57.64 1ikm n LYS 23 Cb 0.40 -1.79 -0.10 0.00 0.02 0.00 0.00 35.03 33.57 1ikm n LYS 23 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1ikm s GLU 24 N -2.92 1.52 0.00 1.64 2.02 -1.21 -4.98 118.70 114.77 1ikm s GLU 24 Ca -0.03 -1.85 0.00 0.00 0.02 0.00 0.00 54.97 53.10 1ikm s GLU 24 Cb 0.09 -0.13 0.00 0.00 0.10 0.00 0.00 34.13 34.18 1ikm s GLU 24 CO 0.81 -0.40 0.00 0.54 0.02 0.00 0.00 175.26 176.24 1ikm n ARG 26 N -0.53 0.00 -3.93 1.61 1.74 0.11 -1.17 116.66 114.49 1ikm n ARG 26 Ca 0.01 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.76 1ikm n ARG 26 Cb 0.65 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 32.05 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 5.34 -0.11 1.55 -7.23 -1.26 -1.42 120.40 117.27 1ikm s VAL 27 Ca 0.00 -0.28 -0.03 0.00 -1.81 0.00 0.00 61.98 59.86 1ikm s VAL 27 Cb 0.00 -3.54 -0.03 0.00 0.56 0.00 0.00 36.38 33.37 1ikm s VAL 27 CO 0.00 0.25 -0.01 -0.63 -0.31 0.00 0.00 175.10 174.40 1ikm s ILE 28 N -1.39 4.20 1.22 -0.62 1.01 0.64 -4.92 121.20 121.34 1ikm s ILE 28 Ca 0.30 -0.27 -0.20 0.00 0.00 0.00 0.00 60.65 60.48 1ikm s ILE 28 Cb -0.13 -2.79 0.29 0.00 0.01 0.00 0.00 42.46 39.84 1ikm s ILE 28 CO 0.22 0.56 1.11 -1.83 0.00 0.00 0.00 174.94 175.00 1ikm s GLU 29 N -0.43 -1.36 0.21 2.79 -1.05 -1.26 -2.76 118.70 114.84 1ikm s GLU 29 Ca 0.08 -0.12 0.07 0.00 -0.15 0.00 0.00 54.97 54.85 1ikm s GLU 29 Cb -0.12 -1.59 -0.04 0.00 -0.44 0.00 0.00 34.13 31.94 1ikm s GLU 29 CO 0.02 -3.79 0.07 -1.54 0.95 0.00 0.00 175.26 170.97 1ikm s SER 30 N -3.94 5.05 0.00 0.83 1.04 -1.26 -4.56 113.70 110.86 1ikm s SER 30 Ca 0.71 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.79 1ikm s SER 30 Cb -0.09 -1.16 0.00 0.00 0.10 0.00 0.00 66.02 64.87 1ikm s SER 30 CO 0.56 0.04 0.00 0.61 0.98 0.00 0.00 173.24 175.43 1ikm n GLY 31 N -0.57 3.42 0.21 7.32 0.00 -0.26 -4.99 105.19 110.32 1ikm n GLY 31 Ca -0.08 -0.79 -0.14 0.00 0.00 0.00 0.00 46.02 45.01 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 0.64 -0.74 1.61 0.13 -1.99 -3.05 132.00 128.60 1ikm h PRO 32 Ca 0.00 -0.52 0.02 0.00 -0.87 0.00 0.00 66.00 64.63 1ikm h PRO 32 Cb 0.00 0.11 -0.04 0.00 0.13 0.00 0.00 31.00 31.20 1ikm h PRO 32 CO 0.00 1.14 0.49 1.12 -0.23 0.00 0.00 178.00 180.52 1ikm h HIS 33 N 0.44 0.89 -2.72 1.56 2.07 -1.96 -3.39 115.15 112.06 1ikm h HIS 33 Ca -0.04 0.02 -0.39 0.00 -2.85 0.00 0.00 60.37 57.11 1ikm h HIS 33 Cb 1.35 -0.30 -0.38 0.00 2.57 0.00 0.00 27.41 30.65 1ikm h HIS 33 CO 0.07 0.54 -0.69 0.00 -3.07 0.00 0.00 177.93 174.78 1ikm h ALA 35 N 8.36 0.34 -2.30 0.00 0.00 -1.74 -0.66 119.26 123.26 1ikm h ALA 35 Ca -0.16 -0.07 -0.47 0.00 0.00 0.00 0.00 54.91 54.21 1ikm h ALA 35 Cb 1.13 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1ikm h ALA 35 CO 0.31 -0.13 0.29 -0.80 0.00 0.00 0.00 179.25 178.92 1ikm s ASN 36 N -5.56 7.09 0.64 0.00 0.01 -1.26 -4.57 114.94 111.29 1ikm s ASN 36 Ca -0.13 1.67 -0.11 0.00 -0.71 0.00 0.00 52.86 53.58 1ikm s ASN 36 Cb 0.09 -2.52 -0.03 0.00 0.41 0.00 0.00 41.25 39.20 1ikm s ASN 36 CO 0.71 -0.18 1.04 -0.89 -1.51 0.00 0.00 177.10 176.27 1ikm s THR 37 N -1.86 4.51 -0.03 1.60 2.01 -1.26 -4.72 115.64 115.89 1ikm s THR 37 Ca 0.54 0.82 -0.00 0.00 0.31 0.00 0.00 61.69 63.35 1ikm s THR 37 Cb -0.14 -3.73 0.03 0.00 0.01 0.00 0.00 72.50 68.67 1ikm s THR 37 CO 0.19 -1.07 0.03 -1.61 -0.69 0.00 0.00 174.62 171.47 1ikm s GLU 38 N -5.14 0.07 0.33 4.92 0.41 -1.11 -4.74 118.70 113.44 1ikm s GLU 38 Ca 0.56 0.20 -0.02 0.00 -0.41 0.00 0.00 54.97 55.29 1ikm s GLU 38 Cb -0.12 -0.41 -0.04 0.00 -1.78 0.00 0.00 34.13 31.79 1ikm s GLU 38 CO 0.54 -0.20 0.57 0.42 -0.49 0.00 0.00 175.26 176.10 1ikm s ILE 39 N 1.35 5.06 -0.11 -1.63 1.09 -1.09 -0.26 121.20 125.61 1ikm s ILE 39 Ca -0.05 -0.19 -0.07 0.00 -1.10 0.00 0.00 60.65 59.23 1ikm s ILE 39 Cb -0.13 -3.81 0.04 0.00 -1.06 0.00 0.00 42.46 37.50 1ikm s ILE 39 CO -0.03 -0.48 0.27 -0.63 -0.10 0.00 0.00 174.94 173.97 1ikm s ILE 40 N -2.25 -0.02 0.18 2.92 1.01 -0.51 -1.67 121.20 120.87 1ikm s ILE 40 Ca 0.42 0.08 0.01 0.00 0.00 0.00 0.00 60.65 61.16 1ikm s ILE 40 Cb -0.10 -0.40 -0.05 0.00 0.01 0.00 0.00 42.46 41.92 1ikm s ILE 40 CO 0.34 0.03 0.05 0.68 0.00 0.00 0.00 174.94 176.04 1ikm s VAL 41 N 0.79 0.45 -0.27 2.92 -7.23 -0.97 0.09 120.40 116.19 1ikm s VAL 41 Ca -0.05 -1.97 -0.02 0.00 -1.81 0.00 0.00 61.98 58.12 1ikm s VAL 41 Cb -0.07 -2.24 0.09 0.00 0.56 0.00 0.00 36.38 34.73 1ikm s VAL 41 CO -0.05 -0.34 0.09 -0.75 -0.31 0.00 0.00 175.10 173.74 1ikm s LYS 42 N -3.99 0.52 0.46 4.82 2.20 -0.32 -2.54 119.74 120.88 1ikm s LYS 42 Ca 0.28 -0.70 -0.25 0.00 -0.36 0.00 0.00 55.97 54.94 1ikm s LYS 42 Cb 0.07 -1.78 -0.08 0.00 -1.51 0.00 0.00 37.83 34.52 1ikm s LYS 42 CO 0.06 -0.89 1.39 1.28 -0.36 0.00 0.00 175.35 176.83 1ikm n LEU 43 N 5.03 4.94 0.27 5.43 4.77 -0.50 -0.33 117.00 136.62 1ikm n LEU 43 Ca -0.05 1.10 0.15 0.00 -0.03 0.00 0.00 56.01 57.18 1ikm n LEU 43 Cb 0.44 -1.58 0.88 0.00 -2.33 0.00 0.00 43.42 40.83 1ikm n LEU 43 CO 0.10 -0.30 1.13 0.28 -1.33 0.00 0.00 177.39 177.26 1ikm h SER 44 N 2.16 0.00 0.41 -1.43 0.02 -1.39 0.37 113.55 113.68 1ikm h SER 44 Ca -0.50 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 1ikm h SER 44 Cb 1.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.82 1ikm h SER 44 CO 0.60 0.00 0.00 0.47 -1.14 0.00 0.00 176.83 176.76 1ikm n ASP 45 N -3.87 0.50 0.00 3.07 8.00 -1.26 -4.80 116.55 118.18 1ikm n ASP 45 Ca -0.02 0.66 0.00 0.00 0.71 0.00 0.00 54.79 56.14 1ikm n ASP 45 Cb 0.14 -0.75 0.00 0.00 -0.02 0.00 0.00 41.12 40.48 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 -0.54 1.66 3.72 0.44 0.00 0.10 -5.12 105.19 105.45 1ikm n GLY 46 Ca 0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.51 2.38 -0.10 1.61 3.52 -1.11 -4.95 118.95 119.79 1ikm s ARG 47 Ca 0.00 -1.51 -0.02 0.00 -0.13 0.00 0.00 55.73 54.07 1ikm s ARG 47 Cb 0.00 -2.19 0.04 0.00 -1.56 0.00 0.00 34.95 31.24 1ikm s ARG 47 CO 0.00 0.15 0.01 -2.00 -0.81 0.00 0.00 175.30 172.66 1ikm s GLU 48 N -3.82 0.59 -0.08 5.12 2.12 -1.26 -1.41 118.70 119.96 1ikm s GLU 48 Ca 0.37 -0.02 0.00 0.00 0.36 0.00 0.00 54.97 55.68 1ikm s GLU 48 Cb -0.03 -1.26 0.02 0.00 0.26 0.00 0.00 34.13 33.12 1ikm s GLU 48 CO 0.22 -0.39 -0.06 -0.51 -0.54 0.00 0.00 175.26 173.98 1ikm s LEU 49 N 1.96 1.17 -0.03 2.70 1.02 -1.05 -5.01 118.68 119.43 1ikm s LEU 49 Ca 0.04 -0.20 -0.25 0.00 0.02 0.00 0.00 54.13 53.73 1ikm s LEU 49 Cb -0.13 -0.64 -0.04 0.00 0.02 0.00 0.00 46.19 45.39 1ikm s LEU 49 CO -0.06 -0.09 0.76 0.00 0.02 0.00 0.00 176.35 176.98 1ikm s LEU 51 N 0.61 4.06 -0.26 0.00 1.43 -0.67 0.83 118.68 124.68 1ikm s LEU 51 Ca 0.40 0.61 -0.09 0.00 -1.03 0.00 0.00 54.13 54.03 1ikm s LEU 51 Cb -0.19 -3.44 -0.04 0.00 0.03 0.00 0.00 46.19 42.55 1ikm s LEU 51 CO 0.21 -0.21 0.11 -0.62 0.23 0.00 0.00 176.35 176.07 1ikm s ASP 52 N -3.39 5.47 0.00 2.29 2.15 -1.14 -2.69 116.67 119.36 1ikm s ASP 52 Ca 0.42 -0.13 0.15 0.00 0.43 0.00 0.00 52.55 53.43 1ikm s ASP 52 Cb -0.10 -2.00 0.73 0.00 -0.30 0.00 0.00 42.92 41.25 1ikm s ASP 52 CO 0.32 -0.03 1.44 -0.81 -0.17 0.00 0.00 175.17 175.91 1ikm n PRO 53 N 4.93 0.16 0.24 4.34 -0.04 -1.26 -2.96 135.00 140.40 1ikm n PRO 53 Ca -0.15 0.17 0.08 0.00 -0.04 0.00 0.00 63.50 63.55 1ikm n PRO 53 Cb 0.52 -1.50 0.59 0.00 -0.04 0.00 0.00 33.50 33.07 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 -7.21 0.54 3.64 -1.96 -3.43 116.57 108.16 1ikm h LYS 54 Ca 0.00 0.00 -0.45 0.00 -1.27 0.00 0.00 60.65 58.93 1ikm h LYS 54 Cb 0.17 0.00 0.07 0.00 -0.41 0.00 0.00 32.23 32.07 1ikm h LYS 54 CO 0.00 0.13 0.17 -1.21 -2.27 0.00 0.00 179.45 176.27 1ikm s GLU 55 N -4.64 2.20 0.03 1.90 0.41 -1.16 -5.00 118.70 112.45 1ikm s GLU 55 Ca -0.04 -0.41 0.22 0.00 -0.41 0.00 0.00 54.97 54.33 1ikm s GLU 55 Cb 0.15 -2.24 -0.12 0.00 -1.78 0.00 0.00 34.13 30.14 1ikm s GLU 55 CO 0.66 -1.17 0.84 0.09 -0.49 0.00 0.00 175.26 175.19 1ikm n ASN 56 N -2.82 0.51 0.10 -0.19 4.13 -1.26 -4.10 115.26 111.63 1ikm n ASN 56 Ca 0.09 -0.23 -0.17 0.00 1.68 0.00 0.00 54.58 55.95 1ikm n ASN 56 Cb 0.60 1.17 -0.12 0.00 -1.54 0.00 0.00 39.78 39.90 1ikm n ASN 56 CO 0.00 0.00 0.00 4.11 0.28 0.00 0.00 177.26 181.65 1ikm h TRP 57 N 0.00 0.63 -0.56 3.10 5.08 -1.94 -1.26 115.95 121.00 1ikm h TRP 57 Ca 0.00 -0.42 -0.06 0.00 1.08 0.00 0.00 58.89 59.49 1ikm h TRP 57 Cb 0.80 -0.04 -0.02 0.00 -3.00 0.00 0.00 29.16 26.90 1ikm h TRP 57 CO 0.00 1.30 0.11 0.28 -1.28 0.00 0.00 178.44 178.85 1ikm h VAL 58 N 0.14 1.25 0.00 0.12 2.07 -1.82 0.89 116.25 118.90 1ikm h VAL 58 Ca -0.14 -0.94 -0.14 0.00 0.82 0.00 0.00 66.70 66.29 1ikm h VAL 58 Cb 1.90 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 32.43 1ikm h VAL 58 CO 0.21 0.34 -0.68 0.06 0.02 0.00 0.00 177.57 177.52 1ikm h GLN 59 N 0.81 0.00 0.22 1.57 3.07 -1.71 -1.97 115.11 117.10 1ikm h GLN 59 Ca 0.17 0.00 -0.32 0.00 0.09 0.00 0.00 58.65 58.59 1ikm h GLN 59 Cb 0.39 0.00 0.03 0.00 0.08 0.00 0.00 27.48 27.98 1ikm h GLN 59 CO 0.01 0.68 -1.44 0.00 0.09 0.00 0.00 178.83 178.17 1ikm h ARG 60 N 0.00 0.46 -0.60 0.06 2.47 -0.91 -2.46 114.38 113.39 1ikm h ARG 60 Ca -0.01 -0.78 -0.04 0.00 -1.26 0.00 0.00 59.98 57.89 1ikm h ARG 60 Cb 1.33 0.29 -0.03 0.00 -1.65 0.00 0.00 29.97 29.92 1ikm h ARG 60 CO 0.09 1.37 0.21 0.28 0.56 0.00 0.00 179.97 182.48 1ikm h VAL 61 N 0.12 1.24 -0.49 2.04 2.07 0.81 0.11 116.25 122.16 1ikm h VAL 61 Ca -0.23 -0.78 -0.11 0.00 0.82 0.00 0.00 66.70 66.40 1ikm h VAL 61 Cb 2.11 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 32.48 1ikm h VAL 61 CO 0.25 0.30 -0.12 0.58 0.02 0.00 0.00 177.57 178.60 1ikm h VAL 62 N 0.85 1.26 -0.26 2.57 2.07 -1.42 -0.03 116.25 121.29 1ikm h VAL 62 Ca 0.20 -1.24 -0.05 0.00 0.82 0.00 0.00 66.70 66.42 1ikm h VAL 62 Cb 0.25 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 1ikm h VAL 62 CO -0.01 0.43 -0.05 -0.33 0.02 0.00 0.00 177.57 177.63 1ikm h GLU 63 N 0.81 0.49 -0.00 1.57 5.08 -1.02 0.62 114.58 122.12 1ikm h GLU 63 Ca 0.13 -0.18 -0.07 0.00 -1.00 0.00 0.00 59.36 58.24 1ikm h GLU 63 Cb 0.65 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 1ikm h GLU 63 CO 0.05 0.69 -0.34 -0.22 -1.00 0.00 0.00 179.01 178.19 1ikm h LYS 64 N 0.24 0.00 0.00 2.33 3.64 -0.67 0.40 116.57 122.52 1ikm h LYS 64 Ca 0.07 -0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.38 1ikm h LYS 64 Cb 0.51 -0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.33 1ikm h LYS 64 CO 0.02 0.34 -0.27 0.35 -2.27 0.00 0.00 179.45 177.63 1ikm h PHE 65 N 0.00 0.26 0.03 1.91 3.57 -0.75 -3.38 116.94 118.58 1ikm h PHE 65 Ca -0.00 -0.14 -0.00 0.00 3.53 0.00 0.00 57.97 61.35 1ikm h PHE 65 Cb 0.60 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.31 1ikm h PHE 65 CO 0.00 0.96 -0.01 1.25 -2.23 0.00 0.00 178.31 178.28 1ikm h LEU 66 N -0.51 -0.03 0.00 0.59 5.85 -0.81 -3.47 115.31 116.93 1ikm h LEU 66 Ca -0.03 -0.46 0.00 0.00 0.84 0.00 0.00 57.88 58.23 1ikm h LEU 66 Cb 1.04 0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.08 1ikm h LEU 66 CO 0.05 0.68 0.00 0.29 -0.34 0.00 0.00 178.44 179.12 1ikm n LYS 67 N -4.73 0.00 -3.32 1.25 4.76 0.14 -4.74 118.16 111.51 1ikm n LYS 67 Ca -0.05 0.00 -0.20 0.00 -2.87 0.00 0.00 58.31 55.19 1ikm n LYS 67 Cb 0.24 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.43 1ikm n LYS 67 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1ikm s ARG 68 N 0.00 3.08 0.30 1.97 0.52 -1.26 -4.99 118.95 118.56 1ikm s ARG 68 Ca 0.00 -0.91 0.00 0.00 -0.52 0.00 0.00 55.73 54.30 1ikm s ARG 68 Cb 0.00 -2.75 0.00 0.00 0.52 0.00 0.00 34.95 32.72 1ikm s ARG 68 CO 0.00 -0.04 0.00 0.00 0.02 0.00 0.00 175.30 175.28 1ikm n ALA 69 N -1.76 0.00 0.17 2.13 0.00 -1.26 -5.07 120.51 114.71 1ikm n ALA 69 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1ikm n ALA 69 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 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 -3.18 0.00 -1.12 0.00 1.02 -1.26 -5.17 120.64 110.93 1ikm n GLU 70 Ca 0.00 0.00 0.15 0.00 -0.02 0.00 0.00 57.16 57.29 1ikm n GLU 70 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.37 1ikm n GLU 70 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1ikm n ASN 71 N -3.44 -6.70 0.00 1.62 4.13 -1.26 -5.32 115.26 104.29 1ikm n ASN 71 Ca 0.00 0.70 0.00 0.00 1.68 0.00 0.00 54.58 56.96 1ikm n ASN 71 Cb 0.00 -3.55 0.00 0.00 -1.54 0.00 0.00 39.78 34.69 1ikm n ASN 71 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34