#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ikl s LEU 5 N 0.00 4.77 0.00 -4.62 2.96 -1.26 -5.04 118.68 115.49 1ikl s LEU 5 Ca 0.00 -1.10 -0.19 0.00 -0.22 0.00 0.00 54.13 52.62 1ikl s LEU 5 Cb 0.00 -2.01 0.28 0.00 0.50 0.00 0.00 46.19 44.97 1ikl s LEU 5 CO 0.00 -0.41 0.91 0.54 -1.32 0.00 0.00 176.35 176.07 1ikl n ARG 6 N 4.97 -3.28 -1.68 1.98 1.74 -1.26 -4.66 116.66 114.47 1ikl n ARG 6 Ca -0.12 -1.48 -0.46 0.00 -0.77 0.00 0.00 57.85 55.03 1ikl n ARG 6 Cb 0.45 -1.49 -0.04 0.00 -1.02 0.00 0.00 32.46 30.36 1ikl n ARG 6 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ikl n GLN 8 N 5.76 0.09 -3.80 0.00 6.02 -1.26 -4.44 117.38 119.75 1ikl n GLN 8 Ca 0.20 0.33 -0.29 0.00 -0.01 0.00 0.00 57.00 57.23 1ikl n GLN 8 Cb 0.32 -1.67 -0.16 0.00 1.02 0.00 0.00 30.24 29.76 1ikl n GLN 8 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ikl h ILE 10 N 6.56 1.31 -3.41 0.00 2.04 -2.01 -3.39 117.51 118.61 1ikl h ILE 10 Ca -0.16 -1.58 -0.67 0.00 1.00 0.00 0.00 64.86 63.45 1ikl h ILE 10 Cb 1.08 1.64 -0.35 0.00 -0.74 0.00 0.00 36.82 38.46 1ikl h ILE 10 CO 0.39 0.48 -0.81 -0.54 0.00 0.00 0.00 178.15 177.67 1ikl s LYS 11 N -4.17 2.76 0.59 2.37 1.02 -1.26 -5.12 119.74 115.93 1ikl s LYS 11 Ca -0.06 -1.00 -0.03 0.00 0.02 0.00 0.00 55.97 54.90 1ikl s LYS 11 Cb 0.13 -2.78 0.12 0.00 -0.52 0.00 0.00 37.83 34.78 1ikl s LYS 11 CO 0.80 -0.36 0.81 0.25 -0.92 0.00 0.00 175.35 175.93 1ikl n THR 12 N 4.59 0.00 -2.80 2.17 -2.24 -1.26 -4.86 114.28 109.87 1ikl n THR 12 Ca -0.18 -1.08 -0.43 0.00 -2.27 0.00 0.00 64.05 60.09 1ikl n THR 12 Cb 0.47 -1.16 -0.04 0.00 -2.10 0.00 0.00 70.33 67.51 1ikl n THR 12 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1ikl s TYR 13 N -2.47 3.05 -0.08 4.78 5.04 0.22 -4.80 117.35 123.09 1ikl s TYR 13 Ca 0.51 0.72 0.03 0.00 -2.44 0.00 0.00 57.07 55.89 1ikl s TYR 13 Cb -0.03 -3.71 -0.25 0.00 0.35 0.00 0.00 41.96 38.33 1ikl s TYR 13 CO 0.35 -0.87 0.52 0.43 -1.34 0.00 0.00 175.55 174.63 1ikl n SER 14 N 6.85 1.48 -4.75 4.32 7.64 -1.26 -2.89 113.62 125.00 1ikl n SER 14 Ca 0.07 0.32 -0.40 0.00 1.01 0.00 0.00 58.87 59.86 1ikl n SER 14 Cb 0.48 -0.45 -0.05 0.00 -1.01 0.00 0.00 64.21 63.19 1ikl n SER 14 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1ikl s LYS 15 N -2.58 4.70 0.57 1.43 1.02 -1.26 -5.03 119.74 118.59 1ikl s LYS 15 Ca -0.13 1.71 -0.08 0.00 0.02 0.00 0.00 55.97 57.48 1ikl s LYS 15 Cb 0.07 -3.22 -0.03 0.00 -0.52 0.00 0.00 37.83 34.13 1ikl s LYS 15 CO 0.80 0.28 0.93 -1.25 -0.92 0.00 0.00 175.35 175.19 1ikl s PRO 16 N -1.26 3.48 0.03 -1.68 0.04 -1.26 -5.05 135.00 129.31 1ikl s PRO 16 Ca 0.44 0.46 -0.27 0.00 0.04 0.00 0.00 61.00 61.66 1ikl s PRO 16 Cb -0.30 -2.21 0.08 0.00 0.04 0.00 0.00 34.50 32.11 1ikl s PRO 16 CO 0.38 -0.46 0.72 -0.59 0.04 0.00 0.00 177.00 177.08 1ikl s PHE 17 N -3.00 -0.53 0.34 0.56 -0.71 -1.26 -5.15 117.98 108.24 1ikl s PHE 17 Ca 0.52 0.60 -0.29 0.00 -1.04 0.00 0.00 56.93 56.73 1ikl s PHE 17 Cb -0.11 0.50 -0.10 0.00 -1.21 0.00 0.00 43.02 42.09 1ikl s PHE 17 CO 0.50 -0.67 1.35 -1.58 -1.34 0.00 0.00 175.22 173.48 1ikl s HIS 18 N -2.53 2.93 0.01 3.49 5.65 -1.26 -4.97 115.29 118.61 1ikl s HIS 18 Ca -0.03 1.35 -0.19 0.00 0.25 0.00 0.00 55.06 56.45 1ikl s HIS 18 Cb -0.01 -3.77 -0.25 0.00 -1.18 0.00 0.00 32.58 27.38 1ikl s HIS 18 CO -0.03 -2.15 1.08 -1.00 -0.65 0.00 0.00 174.74 171.99 1ikl h PRO 19 N 3.28 0.45 -0.52 2.88 0.13 -1.98 -3.33 132.00 132.91 1ikl h PRO 19 Ca -0.49 -0.52 0.15 0.00 -0.87 0.00 0.00 66.00 64.26 1ikl h PRO 19 Cb 1.23 0.16 -0.02 0.00 0.13 0.00 0.00 31.00 32.50 1ikl h PRO 19 CO 0.65 1.17 0.58 -0.22 -0.23 0.00 0.00 178.00 179.96 1ikl h LYS 20 N -0.05 0.00 -0.90 0.86 3.64 -1.95 0.39 116.57 118.55 1ikl h LYS 20 Ca -0.10 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1ikl h LYS 20 Cb 1.46 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.24 1ikl h LYS 20 CO 0.14 0.00 0.55 0.74 -2.27 0.00 0.00 179.45 178.61 1ikl h PHE 21 N 0.00 1.18 -2.33 1.91 0.04 -1.98 -3.41 116.94 112.35 1ikl h PHE 21 Ca 0.25 0.00 -0.55 0.00 2.80 0.00 0.00 57.97 60.47 1ikl h PHE 21 Cb 1.41 -0.39 0.03 0.00 2.20 0.00 0.00 35.95 39.20 1ikl h PHE 21 CO 0.00 0.78 1.12 -0.89 -0.60 0.00 0.00 178.31 178.73 1ikl n ILE 22 N -4.36 0.52 0.08 -0.55 5.41 0.14 -0.55 119.36 120.04 1ikl n ILE 22 Ca 0.10 -0.09 0.06 0.00 1.00 0.00 0.00 62.75 63.81 1ikl n ILE 22 Cb 0.06 -2.08 -0.03 0.00 -0.71 0.00 0.00 39.64 36.87 1ikl n ILE 22 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 1ikl h LYS 23 N 9.15 0.00 -4.38 0.38 3.64 -0.37 -3.45 116.57 121.54 1ikl h LYS 23 Ca -0.48 0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 58.58 1ikl h LYS 23 Cb 1.24 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 32.96 1ikl h LYS 23 CO 0.94 0.16 -0.31 -1.21 -2.27 0.00 0.00 179.45 176.76 1ikl s GLU 24 N -3.13 1.80 0.00 1.90 2.02 -1.17 -4.96 118.70 115.16 1ikl s GLU 24 Ca -0.01 -1.81 0.00 0.00 0.02 0.00 0.00 54.97 53.17 1ikl s GLU 24 Cb 0.09 0.40 0.00 0.00 0.10 0.00 0.00 34.13 34.71 1ikl s GLU 24 CO 0.79 -0.71 0.00 2.89 0.02 0.00 0.00 175.26 178.25 1ikl n ARG 26 N -0.55 0.00 -3.79 1.61 1.85 0.15 -1.16 116.66 114.76 1ikl n ARG 26 Ca 0.03 0.00 -0.29 0.00 -1.00 0.00 0.00 57.85 56.59 1ikl n ARG 26 Cb 0.62 0.00 -0.04 0.00 -1.05 0.00 0.00 32.46 31.99 1ikl n ARG 26 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 177.63 177.76 1ikl s VAL 27 N 0.00 5.27 -0.15 8.89 -7.23 -1.26 -1.36 120.40 124.56 1ikl s VAL 27 Ca 0.00 -0.35 -0.05 0.00 -1.81 0.00 0.00 61.98 59.77 1ikl s VAL 27 Cb 0.00 -3.69 -0.04 0.00 0.56 0.00 0.00 36.38 33.22 1ikl s VAL 27 CO 0.00 -0.03 0.03 -0.63 -0.31 0.00 0.00 175.10 174.16 1ikl s ILE 28 N -1.71 4.52 1.09 -0.62 1.01 0.15 -4.90 121.20 120.74 1ikl s ILE 28 Ca 0.37 -0.14 -0.16 0.00 0.00 0.00 0.00 60.65 60.72 1ikl s ILE 28 Cb -0.12 -2.99 0.23 0.00 0.01 0.00 0.00 42.46 39.60 1ikl s ILE 28 CO 0.28 0.52 1.13 -1.61 0.00 0.00 0.00 174.94 175.25 1ikl s GLU 29 N -0.09 -0.28 0.28 2.79 2.02 -1.26 -3.20 118.70 118.96 1ikl s GLU 29 Ca 0.05 0.12 0.07 0.00 0.02 0.00 0.00 54.97 55.23 1ikl s GLU 29 Cb -0.12 -1.69 -0.03 0.00 0.10 0.00 0.00 34.13 32.39 1ikl s GLU 29 CO 0.02 -3.12 0.27 -1.54 0.02 0.00 0.00 175.26 170.90 1ikl s SER 30 N -3.86 5.58 0.00 -0.19 1.04 -1.26 -4.71 113.70 110.30 1ikl s SER 30 Ca 0.69 -0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.83 1ikl s SER 30 Cb -0.13 -1.31 0.00 0.00 0.10 0.00 0.00 66.02 64.68 1ikl s SER 30 CO 0.56 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 175.22 1ikl n GLY 31 N -1.30 1.39 0.15 7.32 0.00 -0.45 -4.95 105.19 107.35 1ikl n GLY 31 Ca -0.06 -0.27 -0.06 0.00 0.00 0.00 0.00 46.02 45.64 1ikl n GLY 31 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ikl h PRO 32 N 0.00 0.18 -0.45 1.61 0.13 -1.98 -2.91 132.00 128.58 1ikl h PRO 32 Ca 0.00 -0.15 -0.04 0.00 -0.87 0.00 0.00 66.00 64.94 1ikl h PRO 32 Cb 0.00 0.03 -0.02 0.00 0.13 0.00 0.00 31.00 31.14 1ikl h PRO 32 CO 0.00 0.81 0.10 1.12 -0.23 0.00 0.00 178.00 179.80 1ikl h HIS 33 N 0.12 0.69 -0.82 1.56 2.07 -1.94 -3.42 115.15 113.41 1ikl h HIS 33 Ca -0.02 -0.05 0.13 0.00 -2.85 0.00 0.00 60.37 57.57 1ikl h HIS 33 Cb 1.26 -0.21 -0.21 0.00 2.57 0.00 0.00 27.41 30.82 1ikl h HIS 33 CO 0.02 0.60 -0.17 0.00 -3.07 0.00 0.00 177.93 175.31 1ikl h ALA 35 N 8.00 1.38 -2.62 0.00 0.00 -1.78 -1.19 119.26 123.04 1ikl h ALA 35 Ca -0.20 -0.21 -0.54 0.00 0.00 0.00 0.00 54.91 53.96 1ikl h ALA 35 Cb 1.16 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 1ikl h ALA 35 CO 0.16 0.43 0.22 -0.80 0.00 0.00 0.00 179.25 179.26 1ikl s ASN 36 N -6.77 7.28 0.44 0.00 0.01 -1.26 -4.61 114.94 110.04 1ikl s ASN 36 Ca -0.07 1.54 -0.22 0.00 -0.71 0.00 0.00 52.86 53.39 1ikl s ASN 36 Cb 0.15 -2.50 -0.08 0.00 0.41 0.00 0.00 41.25 39.23 1ikl s ASN 36 CO 0.76 -0.03 1.08 -0.89 -1.51 0.00 0.00 177.10 176.50 1ikl s THR 37 N 0.08 3.58 -0.06 1.60 2.01 -1.26 -4.78 115.64 116.81 1ikl s THR 37 Ca 0.41 1.13 0.01 0.00 0.31 0.00 0.00 61.69 63.55 1ikl s THR 37 Cb -0.21 -3.54 0.02 0.00 0.01 0.00 0.00 72.50 68.78 1ikl s THR 37 CO 0.25 -0.07 -0.06 -0.70 -0.69 0.00 0.00 174.62 173.35 1ikl s GLU 38 N -2.78 1.05 0.45 4.92 2.56 -1.19 -4.70 118.70 118.99 1ikl s GLU 38 Ca 0.62 -0.16 -0.04 0.00 0.00 0.00 0.00 54.97 55.39 1ikl s GLU 38 Cb -0.22 -1.03 -0.04 0.00 2.00 0.00 0.00 34.13 34.84 1ikl s GLU 38 CO 0.27 -0.10 0.73 0.42 -0.56 0.00 0.00 175.26 176.03 1ikl s ILE 39 N 1.03 4.94 -0.09 -3.70 1.09 -1.12 -0.67 121.20 122.68 1ikl s ILE 39 Ca -0.09 0.10 -0.05 0.00 -1.10 0.00 0.00 60.65 59.51 1ikl s ILE 39 Cb -0.14 -3.85 0.04 0.00 -1.06 0.00 0.00 42.46 37.44 1ikl s ILE 39 CO -0.00 -0.76 0.23 -0.63 -0.10 0.00 0.00 174.94 173.67 1ikl s ILE 40 N -2.62 -0.03 0.21 2.92 1.01 -0.47 -1.88 121.20 120.34 1ikl s ILE 40 Ca 0.46 0.12 0.03 0.00 0.00 0.00 0.00 60.65 61.26 1ikl s ILE 40 Cb -0.10 -0.35 -0.05 0.00 0.01 0.00 0.00 42.46 41.97 1ikl s ILE 40 CO 0.42 0.05 -0.00 0.68 0.00 0.00 0.00 174.94 176.09 1ikl s VAL 41 N 1.00 0.90 -0.35 2.92 -7.23 -0.96 0.30 120.40 116.99 1ikl s VAL 41 Ca -0.07 -2.02 -0.00 0.00 -1.81 0.00 0.00 61.98 58.08 1ikl s VAL 41 Cb -0.09 -2.25 0.12 0.00 0.56 0.00 0.00 36.38 34.73 1ikl s VAL 41 CO -0.06 -0.39 0.18 -0.75 -0.31 0.00 0.00 175.10 173.77 1ikl s LYS 42 N -3.88 0.70 0.36 4.82 2.20 -0.31 -2.55 119.74 121.09 1ikl s LYS 42 Ca 0.27 -1.29 -0.25 0.00 -0.36 0.00 0.00 55.97 54.33 1ikl s LYS 42 Cb 0.06 -1.67 -0.12 0.00 -1.51 0.00 0.00 37.83 34.58 1ikl s LYS 42 CO 0.07 -1.12 0.91 1.28 -0.36 0.00 0.00 175.35 176.13 1ikl n LEU 43 N 4.32 1.71 0.28 5.43 4.77 -0.18 0.32 117.00 133.65 1ikl n LEU 43 Ca 0.05 1.07 0.15 0.00 -0.03 0.00 0.00 56.01 57.25 1ikl n LEU 43 Cb 0.38 -1.27 0.88 0.00 -2.33 0.00 0.00 43.42 41.08 1ikl n LEU 43 CO 0.14 -1.75 1.13 0.28 -1.33 0.00 0.00 177.39 175.86 1ikl h SER 44 N 1.56 0.00 0.42 -1.43 0.02 -1.12 0.23 113.55 113.23 1ikl h SER 44 Ca -0.41 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.54 1ikl h SER 44 Cb 1.35 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.89 1ikl h SER 44 CO 0.57 0.00 0.00 0.47 -1.14 0.00 0.00 176.83 176.73 1ikl n ASP 45 N -3.89 0.42 0.00 3.07 8.00 -1.26 -4.81 116.55 118.09 1ikl n ASP 45 Ca -0.02 0.63 0.00 0.00 0.71 0.00 0.00 54.79 56.11 1ikl n ASP 45 Cb 0.13 -0.71 0.00 0.00 -0.02 0.00 0.00 41.12 40.52 1ikl n ASP 45 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ikl n GLY 46 N -0.49 1.43 3.56 0.44 0.00 0.05 -5.12 105.19 105.07 1ikl n GLY 46 Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 1ikl n GLY 46 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ikl s ARG 47 N -0.36 2.02 -0.15 1.61 6.06 -1.12 -4.96 118.95 122.06 1ikl s ARG 47 Ca 0.00 -1.43 -0.00 0.00 -2.50 0.00 0.00 55.73 51.80 1ikl s ARG 47 Cb 0.00 -2.06 0.04 0.00 0.06 0.00 0.00 34.95 32.98 1ikl s ARG 47 CO 0.00 0.39 -0.07 -2.00 -2.50 0.00 0.00 175.30 171.12 1ikl s GLU 48 N -3.21 1.60 -0.06 5.12 -6.30 -1.26 -1.01 118.70 113.57 1ikl s GLU 48 Ca 0.28 -0.49 0.00 0.00 -2.50 0.00 0.00 54.97 52.26 1ikl s GLU 48 Cb -0.07 -1.95 0.02 0.00 0.00 0.00 0.00 34.13 32.13 1ikl s GLU 48 CO 0.16 -0.37 -0.04 -0.51 0.02 0.00 0.00 175.26 174.52 1ikl s LEU 49 N 1.61 1.09 0.13 2.70 1.02 -1.05 -5.01 118.68 119.18 1ikl s LEU 49 Ca 0.02 -0.14 -0.22 0.00 0.02 0.00 0.00 54.13 53.82 1ikl s LEU 49 Cb -0.14 -0.50 -0.07 0.00 0.02 0.00 0.00 46.19 45.50 1ikl s LEU 49 CO -0.08 -0.10 0.68 0.00 0.02 0.00 0.00 176.35 176.86 1ikl s LEU 51 N -1.26 4.31 -0.33 0.00 1.43 -0.79 0.71 118.68 122.75 1ikl s LEU 51 Ca 0.34 0.28 -0.12 0.00 -1.03 0.00 0.00 54.13 53.59 1ikl s LEU 51 Cb -0.21 -3.01 -0.02 0.00 0.03 0.00 0.00 46.19 42.98 1ikl s LEU 51 CO 0.22 0.05 0.22 -0.62 0.23 0.00 0.00 176.35 176.46 1ikl s ASP 52 N -3.03 6.02 0.00 2.29 -1.08 -1.14 -2.77 116.67 116.95 1ikl s ASP 52 Ca 0.36 -0.35 0.14 0.00 -0.52 0.00 0.00 52.55 52.18 1ikl s ASP 52 Cb -0.11 -2.13 0.67 0.00 -1.46 0.00 0.00 42.92 39.89 1ikl s ASP 52 CO 0.28 -0.20 1.39 -0.81 0.52 0.00 0.00 175.17 176.36 1ikl n PRO 53 N 5.09 0.14 0.24 4.34 -0.04 -1.26 -2.90 135.00 140.61 1ikl n PRO 53 Ca -0.13 0.19 0.08 0.00 -0.04 0.00 0.00 63.50 63.60 1ikl n PRO 53 Cb 0.50 -1.50 0.59 0.00 -0.04 0.00 0.00 33.50 33.05 1ikl n PRO 53 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1ikl h LYS 54 N 0.00 0.00 -7.21 0.54 1.57 -1.95 -3.44 116.57 106.08 1ikl h LYS 54 Ca 0.00 0.00 -0.47 0.00 -1.87 0.00 0.00 60.65 58.31 1ikl h LYS 54 Cb 0.16 0.00 0.07 0.00 0.08 0.00 0.00 32.23 32.54 1ikl h LYS 54 CO 0.00 0.18 0.21 -1.21 -0.57 0.00 0.00 179.45 178.06 1ikl s GLU 55 N -4.39 2.63 0.12 3.15 8.01 -1.14 -4.99 118.70 122.09 1ikl s GLU 55 Ca -0.03 -0.08 0.23 0.00 0.01 0.00 0.00 54.97 55.10 1ikl s GLU 55 Cb 0.14 -2.22 0.07 0.00 -4.31 0.00 0.00 34.13 27.81 1ikl s GLU 55 CO 0.65 -0.93 1.06 0.09 0.01 0.00 0.00 175.26 176.13 1ikl n ASN 56 N -2.74 0.68 0.11 -0.19 3.02 -1.26 -3.84 115.26 111.04 1ikl n ASN 56 Ca 0.06 0.11 -0.19 0.00 -0.03 0.00 0.00 54.58 54.53 1ikl n ASN 56 Cb 0.59 0.60 -0.13 0.00 -0.61 0.00 0.00 39.78 40.22 1ikl n ASN 56 CO 0.00 0.00 0.00 4.11 -2.62 0.00 0.00 177.26 178.75 1ikl h TRP 57 N 0.00 0.70 -0.45 3.10 5.08 -1.94 -1.38 115.95 121.06 1ikl h TRP 57 Ca 0.00 -0.48 -0.05 0.00 1.08 0.00 0.00 58.89 59.44 1ikl h TRP 57 Cb 0.87 -0.04 -0.02 0.00 -3.00 0.00 0.00 29.16 26.97 1ikl h TRP 57 CO 0.00 1.36 0.11 0.28 -1.28 0.00 0.00 178.44 178.90 1ikl h VAL 58 N 0.14 1.24 -0.02 0.12 2.07 -1.80 0.89 116.25 118.88 1ikl h VAL 58 Ca -0.16 -0.83 -0.15 0.00 0.82 0.00 0.00 66.70 66.38 1ikl h VAL 58 Cb 1.96 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 32.62 1ikl h VAL 58 CO 0.22 0.29 -0.66 0.06 0.02 0.00 0.00 177.57 177.51 1ikl h GLN 59 N 0.61 0.09 0.00 1.57 3.07 -1.66 -1.79 115.11 116.99 1ikl h GLN 59 Ca 0.14 -0.07 -0.24 0.00 0.09 0.00 0.00 58.65 58.57 1ikl h GLN 59 Cb 0.33 0.01 0.02 0.00 0.08 0.00 0.00 27.48 27.92 1ikl h GLN 59 CO 0.00 0.72 -0.94 0.00 0.09 0.00 0.00 178.83 178.70 1ikl h ARG 60 N 0.06 0.64 -0.89 0.06 3.08 -0.93 -2.63 114.38 113.78 1ikl h ARG 60 Ca -0.01 -0.69 0.03 0.00 0.07 0.00 0.00 59.98 59.38 1ikl h ARG 60 Cb 1.17 0.20 -0.05 0.00 0.08 0.00 0.00 29.97 31.37 1ikl h ARG 60 CO 0.09 1.28 0.58 0.28 -1.07 0.00 0.00 179.97 181.13 1ikl h VAL 61 N 0.27 1.17 -0.65 2.04 2.07 0.88 0.39 116.25 122.43 1ikl h VAL 61 Ca -0.12 -0.39 -0.03 0.00 0.82 0.00 0.00 66.70 66.98 1ikl h VAL 61 Cb 1.61 -0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 1ikl h VAL 61 CO 0.19 0.21 0.29 0.58 0.02 0.00 0.00 177.57 178.85 1ikl h VAL 62 N 1.14 1.23 -0.28 2.57 2.07 -1.29 -1.22 116.25 120.47 1ikl h VAL 62 Ca 0.34 -0.69 -0.17 0.00 0.82 0.00 0.00 66.70 67.01 1ikl h VAL 62 Cb -0.04 0.47 -0.00 0.00 -1.52 0.00 0.00 31.29 30.20 1ikl h VAL 62 CO -0.10 0.28 -0.49 -0.33 0.02 0.00 0.00 177.57 176.94 1ikl h GLU 63 N 0.91 0.76 0.00 1.57 5.08 -0.93 0.82 114.58 122.79 1ikl h GLU 63 Ca 0.22 -0.45 -0.02 0.00 -1.00 0.00 0.00 59.36 58.12 1ikl h GLU 63 Cb 0.16 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 1ikl h GLU 63 CO -0.02 1.07 -0.08 -0.22 -1.00 0.00 0.00 179.01 178.76 1ikl h LYS 64 N 0.60 0.00 0.04 2.33 3.64 0.11 0.99 116.57 124.27 1ikl h LYS 64 Ca 0.03 0.00 -0.38 0.00 -1.27 0.00 0.00 60.65 59.02 1ikl h LYS 64 Cb 1.06 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.83 1ikl h LYS 64 CO 0.10 0.08 -2.33 0.34 -2.27 0.00 0.00 179.45 175.37 1ikl n PHE 65 N -3.64 0.39 -0.68 1.91 7.35 -0.49 -4.41 117.46 117.88 1ikl n PHE 65 Ca -0.02 0.08 0.09 0.00 -0.76 0.00 0.00 57.45 56.84 1ikl n PHE 65 Cb 0.19 -1.05 0.35 0.00 0.35 0.00 0.00 39.48 39.32 1ikl n PHE 65 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 1ikl n LEU 66 N -3.33 4.81 -4.40 -2.13 0.00 0.28 -5.02 117.00 107.22 1ikl n LEU 66 Ca -0.42 -2.55 -0.36 0.00 0.00 0.00 0.00 56.01 52.68 1ikl n LEU 66 Cb 1.01 -0.58 0.06 0.00 0.00 0.00 0.00 43.42 43.91 1ikl n LEU 66 CO 0.31 0.77 -0.13 1.17 0.00 0.00 0.00 177.39 179.51 1ikl n LYS 67 N 0.90 0.20 -0.64 1.96 0.00 0.34 -4.74 118.16 116.18 1ikl n LYS 67 Ca 0.25 0.10 0.08 0.00 0.00 0.00 0.00 58.31 58.74 1ikl n LYS 67 Cb 0.93 -1.68 -0.04 0.00 0.00 0.00 0.00 35.03 34.24 1ikl n LYS 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1ikl n ARG 68 N -0.32 -1.47 -4.78 1.64 1.74 -1.26 -4.94 116.66 107.27 1ikl n ARG 68 Ca 0.09 1.20 -0.31 0.00 -0.77 0.00 0.00 57.85 58.05 1ikl n ARG 68 Cb 0.50 -1.72 -0.17 0.00 -1.02 0.00 0.00 32.46 30.06 1ikl n ARG 68 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ikl s ALA 69 N -3.49 2.10 0.00 7.54 0.00 -1.26 -5.05 121.76 121.60 1ikl s ALA 69 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 50.98 1ikl s ALA 69 Cb 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 23.12 22.22 1ikl s ALA 69 CO 0.00 0.05 0.00 0.39 0.00 0.00 0.00 175.76 176.20 1ikl n GLU 70 N 3.93 0.00 -2.93 0.00 4.71 -1.26 -5.08 120.64 120.02 1ikl n GLU 70 Ca -0.20 0.00 0.02 0.00 -0.01 0.00 0.00 57.16 56.97 1ikl n GLU 70 Cb 0.52 -0.01 0.00 0.00 -1.01 0.00 0.00 31.44 30.94 1ikl n GLU 70 CO 0.00 0.00 0.00 1.21 0.09 0.00 0.00 177.13 178.43 1ikl s ASN 71 N -0.25 -0.68 0.00 1.62 3.84 -1.26 -5.34 114.94 112.87 1ikl s ASN 71 Ca 0.00 -0.29 0.00 0.00 0.21 0.00 0.00 52.86 52.78 1ikl s ASN 71 Cb 0.00 0.94 0.00 0.00 -0.55 0.00 0.00 41.25 41.64 1ikl s ASN 71 CO 0.00 -0.08 0.00 -1.20 -2.79 0.00 0.00 177.10 173.03