#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ibk n ASN 3 N 0.00 0.00 -1.07 1.61 6.94 -1.26 -5.15 115.26 116.33 1ibk n ASN 3 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 1ibk n ASN 3 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 1ibk n ASN 3 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1ibk n LYS 4 N 0.00 -2.79 0.00 -3.83 5.02 -1.26 -5.04 118.16 110.26 1ibk n LYS 4 Ca 0.00 2.07 0.00 0.00 -2.02 0.00 0.00 58.31 58.36 1ibk n LYS 4 Cb 0.00 -2.19 0.00 0.00 -0.02 0.00 0.00 35.03 32.82 1ibk n LYS 4 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 1ibk n ILE 5 N 0.29 0.00 -3.72 -0.18 -6.64 -1.26 -5.00 119.36 102.85 1ibk n ILE 5 Ca 0.00 0.00 -0.38 0.00 -1.77 0.00 0.00 62.75 60.60 1ibk n ILE 5 Cb 0.00 -0.95 -0.12 0.00 -1.44 0.00 0.00 39.64 37.13 1ibk n ILE 5 CO 0.00 0.00 0.00 -2.28 -1.77 0.00 0.00 176.55 172.50 1ibk s HIS 6 N -0.39 3.17 0.46 4.28 5.65 -1.26 -4.97 115.29 122.22 1ibk s HIS 6 Ca 0.00 -0.89 0.30 0.00 0.25 0.00 0.00 55.06 54.72 1ibk s HIS 6 Cb 0.00 -2.29 1.39 0.00 -1.18 0.00 0.00 32.58 30.50 1ibk s HIS 6 CO 0.00 -0.56 1.70 -1.00 -0.65 0.00 0.00 174.74 174.23 1ibk h PRO 7 N 8.28 0.14 0.10 2.88 0.13 -1.94 0.72 132.00 142.30 1ibk h PRO 7 Ca -0.31 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1ibk h PRO 7 Cb 1.13 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1ibk h PRO 7 CO 0.61 0.09 -0.05 0.82 -0.23 0.00 0.00 178.00 179.25 1ibk h ILE 8 N 0.15 0.00 -0.92 -3.56 2.04 -1.93 -2.17 117.51 111.11 1ibk h ILE 8 Ca 0.72 -0.26 0.26 0.00 1.00 0.00 0.00 64.86 66.58 1ibk h ILE 8 Cb 2.34 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 38.38 1ibk h ILE 8 CO -0.26 0.00 0.66 1.23 0.00 0.00 0.00 178.15 179.78 1ibk h GLY 9 N -0.39 0.09 1.63 5.37 0.00 -1.77 1.94 103.07 109.94 1ibk h GLY 9 Ca -0.01 -0.02 -0.17 0.00 0.00 0.00 0.00 47.33 47.13 1ibk h GLY 9 CO 0.02 -0.00 -0.67 -2.75 0.00 0.00 0.00 176.54 173.13 1ibk h PHE 10 N 0.04 0.49 0.00 5.60 3.57 0.36 -3.20 116.94 123.80 1ibk h PHE 10 Ca 0.44 -0.20 0.00 0.00 3.53 0.00 0.00 57.97 61.74 1ibk h PHE 10 Cb 1.71 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 40.37 1ibk h PHE 10 CO -0.00 0.93 -0.98 0.54 -2.23 0.00 0.00 178.31 176.57 1ibk n ARG 11 N -3.86 0.02 -0.41 1.11 1.74 0.14 -4.62 116.66 110.79 1ibk n ARG 11 Ca -0.04 -0.01 0.33 0.00 -0.77 0.00 0.00 57.85 57.37 1ibk n ARG 11 Cb 0.67 -1.50 0.53 0.00 -1.02 0.00 0.00 32.46 31.14 1ibk n ARG 11 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1ibk n LEU 12 N -1.52 0.10 0.06 0.55 0.00 0.61 0.12 117.00 116.92 1ibk n LEU 12 Ca 0.04 0.90 -0.13 0.00 0.00 0.00 0.00 56.01 56.83 1ibk n LEU 12 Cb 0.34 -0.45 -0.08 0.00 0.00 0.00 0.00 43.42 43.23 1ibk n LEU 12 CO 0.42 -0.96 0.76 1.23 0.00 0.00 0.00 177.39 178.85 1ibk h GLY 13 N 0.00 -0.11 -0.06 -3.96 0.00 -1.82 -3.41 103.07 93.72 1ibk h GLY 13 Ca 0.66 0.04 -0.24 0.00 0.00 0.00 0.00 47.33 47.79 1ibk h GLY 13 CO -0.22 -0.04 -0.17 1.39 0.00 0.00 0.00 176.54 177.50 1ibk n ILE 14 N -5.06 0.00 -2.07 2.60 2.08 0.32 -4.79 119.36 112.44 1ibk n ILE 14 Ca -0.08 -0.86 -0.05 0.00 0.56 0.00 0.00 62.75 62.31 1ibk n ILE 14 Cb 0.13 0.18 -0.01 0.00 -0.75 0.00 0.00 39.64 39.19 1ibk n ILE 14 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 1ibk n THR 15 N -0.45 -0.03 0.00 1.39 -2.24 -1.26 -4.59 114.28 107.11 1ibk n THR 15 Ca -0.07 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 1ibk n THR 15 Cb 0.23 -0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.38 1ibk n THR 15 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1ibk n ARG 16 N -1.07 0.00 -2.21 -0.78 3.00 -1.26 -4.80 116.66 109.54 1ibk n ARG 16 Ca 0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 57.85 57.59 1ibk n ARG 16 Cb 0.07 0.00 0.06 0.00 0.00 0.00 0.00 32.46 32.58 1ibk n ARG 16 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1ibk s ASP 17 N 0.00 5.05 0.62 6.15 1.01 -1.26 -4.36 116.67 123.89 1ibk s ASP 17 Ca 0.00 0.60 -0.17 0.00 0.71 0.00 0.00 52.55 53.69 1ibk s ASP 17 Cb 0.00 -1.34 -0.02 0.00 1.01 0.00 0.00 42.92 42.57 1ibk s ASP 17 CO 0.00 -1.46 1.17 0.26 0.21 0.00 0.00 175.17 175.36 1ibk s TRP 18 N -3.21 2.42 -0.57 4.23 0.51 -1.26 -4.93 118.94 116.14 1ibk s TRP 18 Ca 0.58 1.54 -0.02 0.00 -2.12 0.00 0.00 56.10 56.09 1ibk s TRP 18 Cb -0.11 -3.38 0.38 0.00 -0.81 0.00 0.00 33.47 29.55 1ibk s TRP 18 CO 0.46 -2.06 2.04 0.39 -0.51 0.00 0.00 176.95 177.26 1ibk n GLU 19 N -1.93 2.43 0.00 4.98 1.02 -1.26 -4.47 120.64 121.41 1ibk n GLU 19 Ca 0.13 -2.79 0.00 0.00 -0.02 0.00 0.00 57.16 54.48 1ibk n GLU 19 Cb 0.50 -2.09 0.00 0.00 -0.02 0.00 0.00 31.44 29.83 1ibk n GLU 19 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1ibk n SER 20 N -0.54 0.00 -3.90 1.62 2.88 -1.26 -4.49 113.62 107.93 1ibk n SER 20 Ca 0.53 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.72 1ibk n SER 20 Cb 0.63 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 64.04 1ibk n SER 20 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 1ibk n ARG 21 N 0.00 3.08 -4.03 -1.46 1.85 -0.14 -4.94 116.66 111.03 1ibk n ARG 21 Ca 0.00 -4.55 -0.31 0.00 -1.00 0.00 0.00 57.85 51.98 1ibk n ARG 21 Cb 0.00 -2.40 -0.16 0.00 -1.05 0.00 0.00 32.46 28.86 1ibk n ARG 21 CO 0.00 0.00 0.00 1.67 -0.01 0.00 0.00 177.63 179.29 1ibk s TRP 22 N -2.04 2.78 0.06 2.89 1.48 -1.26 -4.49 118.94 118.36 1ibk s TRP 22 Ca 0.32 -1.91 -0.31 0.00 -1.06 0.00 0.00 56.10 53.14 1ibk s TRP 22 Cb 0.02 -1.77 -0.06 0.00 -1.16 0.00 0.00 33.47 30.50 1ibk s TRP 22 CO -0.04 -0.81 1.32 -0.47 -4.06 0.00 0.00 176.95 172.89 1ibk s TYR 23 N 1.27 3.21 0.00 1.66 5.04 -1.26 -4.98 117.35 122.29 1ibk s TYR 23 Ca -0.04 1.05 0.00 0.00 -2.44 0.00 0.00 57.07 55.63 1ibk s TYR 23 Cb -0.18 -3.58 0.00 0.00 0.35 0.00 0.00 41.96 38.55 1ibk s TYR 23 CO -0.07 -1.98 0.00 0.00 -1.34 0.00 0.00 175.55 172.16 1ibk n ALA 24 N 4.34 0.00 -3.62 3.97 0.00 -1.26 -4.98 120.51 118.97 1ibk n ALA 24 Ca 0.11 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.51 1ibk n ALA 24 Cb 0.44 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.86 1ibk n ALA 24 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1ibk s GLY 25 N 0.00 -0.14 0.00 0.00 0.00 -1.26 -5.01 107.32 100.91 1ibk s GLY 25 Ca 0.00 2.13 0.00 0.00 0.00 0.00 0.00 44.72 46.85 1ibk s GLY 25 CO 0.00 0.81 0.00 0.28 0.00 0.00 0.00 173.10 174.19 1ibk n LYS 26 N 0.23 0.00 0.10 2.90 4.76 -1.26 0.94 118.16 125.83 1ibk n LYS 26 Ca -0.00 0.00 0.07 0.00 -2.87 0.00 0.00 58.31 55.51 1ibk n LYS 26 Cb 0.58 0.00 0.37 0.00 -1.84 0.00 0.00 35.03 34.14 1ibk n LYS 26 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1ibk n LYS 27 N -0.07 0.09 0.00 1.97 5.02 -1.26 -4.63 118.16 119.28 1ibk n LYS 27 Ca 0.00 0.58 0.00 0.00 -2.02 0.00 0.00 58.31 56.87 1ibk n LYS 27 Cb 0.00 -1.79 0.00 0.00 -0.02 0.00 0.00 35.03 33.22 1ibk n LYS 27 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1ibk n GLN 28 N -1.97 0.00 0.00 1.97 6.02 0.27 -4.96 117.38 118.70 1ibk n GLN 28 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 1ibk n GLN 28 Cb 0.03 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.29 1ibk n GLN 28 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 1ibk n TYR 29 N 0.00 0.00 -0.38 1.08 9.36 -1.25 -3.73 117.16 122.25 1ibk n TYR 29 Ca 0.00 0.00 0.37 0.00 3.32 0.00 0.00 57.90 61.59 1ibk n TYR 29 Cb 0.00 0.00 0.74 0.00 -0.63 0.00 0.00 39.34 39.45 1ibk n TYR 29 CO 0.00 0.00 0.00 0.07 0.22 0.00 0.00 176.86 177.15 1ibk h ARG 30 N 0.00 0.03 0.07 2.98 0.11 -1.93 1.23 114.38 116.88 1ibk h ARG 30 Ca 0.00 -0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.07 1ibk h ARG 30 Cb 0.00 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.07 1ibk h ARG 30 CO 0.00 0.02 -0.03 0.45 0.10 0.00 0.00 179.97 180.51 1ibk h HIS 31 N 0.03 -0.09 -0.30 4.08 3.86 -1.94 -0.23 115.15 120.56 1ibk h HIS 31 Ca 0.62 -0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.74 1ibk h HIS 31 Cb 2.42 0.03 -0.01 0.00 1.06 0.00 0.00 27.41 30.90 1ibk h HIS 31 CO -0.00 0.48 -0.21 -0.07 0.86 0.00 0.00 177.93 178.98 1ibk h LEU 32 N -0.77 0.57 -0.23 2.43 4.07 -1.27 0.21 115.31 120.32 1ibk h LEU 32 Ca -0.01 -0.19 0.01 0.00 0.08 0.00 0.00 57.88 57.77 1ibk h LEU 32 Cb 0.60 -0.15 -0.02 0.00 1.08 0.00 0.00 40.66 42.17 1ibk h LEU 32 CO 0.02 0.78 0.13 0.25 -1.08 0.00 0.00 178.44 178.54 1ibk h LEU 33 N 0.51 0.20 -0.96 1.67 5.85 0.14 0.43 115.31 123.14 1ibk h LEU 33 Ca 0.08 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1ibk h LEU 33 Cb 0.65 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.59 1ibk h LEU 33 CO 0.05 0.15 0.62 0.25 -0.34 0.00 0.00 178.44 179.17 1ibk h LEU 34 N 0.27 1.12 0.66 2.25 6.46 -0.58 0.18 115.31 125.67 1ibk h LEU 34 Ca 0.09 -0.04 -0.02 0.00 -0.12 0.00 0.00 57.88 57.78 1ibk h LEU 34 Cb 0.00 -0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 39.64 1ibk h LEU 34 CO -0.05 0.83 -0.49 -0.08 -0.62 0.00 0.00 178.44 178.03 1ibk h GLU 35 N 1.31 -1.06 -0.76 1.25 4.81 0.48 1.10 114.58 121.71 1ibk h GLU 35 Ca 0.35 0.07 0.11 0.00 -0.13 0.00 0.00 59.36 59.77 1ibk h GLU 35 Cb -0.12 0.24 -0.08 0.00 0.63 0.00 0.00 28.75 29.42 1ibk h GLU 35 CO -0.07 -0.71 0.37 -0.44 -0.73 0.00 0.00 179.01 177.43 1ibk h ASP 36 N -1.10 0.45 0.54 1.04 3.45 0.21 2.00 116.42 123.00 1ibk h ASP 36 Ca -0.08 0.08 -0.08 0.00 0.43 0.00 0.00 57.03 57.37 1ibk h ASP 36 Cb 0.91 0.01 -0.01 0.00 -0.56 0.00 0.00 39.33 39.68 1ibk h ASP 36 CO 0.03 0.23 -0.39 -0.61 -1.57 0.00 0.00 179.24 176.93 1ibk h GLN 37 N 0.59 0.00 -0.08 3.56 5.75 -0.30 -1.15 115.11 123.47 1ibk h GLN 37 Ca 0.39 0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 58.84 1ibk h GLN 37 Cb 0.48 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.03 1ibk h GLN 37 CO -0.32 0.39 -0.13 0.00 -2.65 0.00 0.00 178.83 176.13 1ibk h ARG 38 N 0.00 0.22 0.00 1.69 2.47 0.56 -2.77 114.38 116.55 1ibk h ARG 38 Ca -0.00 -0.14 0.00 0.00 -1.26 0.00 0.00 59.98 58.58 1ibk h ARG 38 Cb 0.77 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.10 1ibk h ARG 38 CO 0.05 0.71 0.00 -0.89 0.56 0.00 0.00 179.97 180.40 1ibk n ILE 39 N -4.63 0.00 -0.43 2.04 5.41 0.63 -0.89 119.36 121.51 1ibk n ILE 39 Ca -0.07 0.91 0.35 0.00 1.00 0.00 0.00 62.75 64.94 1ibk n ILE 39 Cb 0.36 -1.56 0.59 0.00 -0.71 0.00 0.00 39.64 38.31 1ibk n ILE 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1ibk n ARG 40 N -0.70 -0.03 -0.50 0.38 1.74 -0.50 0.69 116.66 117.74 1ibk n ARG 40 Ca 0.00 1.03 0.41 0.00 -0.77 0.00 0.00 57.85 58.52 1ibk n ARG 40 Cb 0.00 -2.08 0.70 0.00 -1.02 0.00 0.00 32.46 30.06 1ibk n ARG 40 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1ibk h GLY 41 N 0.00 0.86 0.00 -0.13 0.00 -0.71 0.18 103.07 103.27 1ibk h GLY 41 Ca 0.75 -0.08 -0.29 0.00 0.00 0.00 0.00 47.33 47.71 1ibk h GLY 41 CO -0.34 -0.26 -1.93 1.04 0.00 0.00 0.00 176.54 175.05 1ibk n LEU 42 N -4.46 1.95 0.32 3.11 4.77 0.22 -3.66 117.00 119.25 1ibk n LEU 42 Ca 0.38 0.34 0.09 0.00 -0.03 0.00 0.00 56.01 56.80 1ibk n LEU 42 Cb 1.55 -0.80 0.49 0.00 -2.33 0.00 0.00 43.42 42.33 1ibk n LEU 42 CO 0.29 0.25 1.08 -0.07 -1.33 0.00 0.00 177.39 177.61 1ibk h LEU 43 N -1.00 0.00 0.00 2.23 3.38 -1.32 0.57 115.31 119.17 1ibk h LEU 43 Ca -0.44 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.52 1ibk h LEU 43 Cb 1.37 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.12 1ibk h LEU 43 CO -0.26 0.00 -0.46 -0.33 0.09 0.00 0.00 178.44 177.48 1ibk h GLU 44 N 0.00 0.00 -0.72 1.13 5.08 -0.87 -3.23 114.58 115.97 1ibk h GLU 44 Ca 0.01 0.00 0.16 0.00 -1.00 0.00 0.00 59.36 58.53 1ibk h GLU 44 Cb 1.24 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.36 1ibk h GLU 44 CO -0.00 0.05 0.01 0.87 -1.00 0.00 0.00 179.01 178.94 1ibk h LYS 45 N -1.00 0.11 0.00 2.33 1.79 -0.86 -3.25 116.57 115.69 1ibk h LYS 45 Ca -0.01 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 1ibk h LYS 45 Cb 0.47 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.09 1ibk h LYS 45 CO -0.01 0.07 0.00 0.39 -1.08 0.00 0.00 179.45 178.82 1ibk n GLU 46 N -5.33 0.00 0.00 3.15 -0.58 0.17 -4.32 120.64 113.73 1ibk n GLU 46 Ca 0.13 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.87 1ibk n GLU 46 Cb 0.45 -0.37 0.00 0.00 -0.57 0.00 0.00 31.44 30.94 1ibk n GLU 46 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1ibk n LEU 47 N -0.19 0.00 0.29 -4.62 4.32 -1.22 -4.24 117.00 111.33 1ibk n LEU 47 Ca 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 56.01 55.85 1ibk n LEU 47 Cb 0.00 0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 41.73 1ibk n LEU 47 CO 0.00 0.00 0.40 0.22 -1.22 0.00 0.00 177.39 176.79 1ibk h TYR 48 N 1.84 -0.71 -0.99 -1.77 3.20 -1.75 -3.09 116.97 113.71 1ibk h TYR 48 Ca 0.00 -0.02 0.33 0.00 3.14 0.00 0.00 58.73 62.19 1ibk h TYR 48 Cb 0.00 0.24 -0.16 0.00 1.54 0.00 0.00 36.73 38.35 1ibk h TYR 48 CO 0.06 -0.40 0.50 0.66 -1.64 0.00 0.00 178.16 177.34 1ibk h SER 49 N -1.12 0.37 -0.86 -2.11 4.64 -1.93 1.01 113.55 113.56 1ibk h SER 49 Ca -0.08 0.21 0.14 0.00 -0.47 0.00 0.00 61.79 61.60 1ibk h SER 49 Cb 0.64 0.20 -0.06 0.00 -0.31 0.00 0.00 62.40 62.86 1ibk h SER 49 CO 0.13 -0.22 0.56 0.00 -0.87 0.00 0.00 176.83 176.43 1ibk h ALA 50 N 1.88 1.90 -3.51 5.18 0.00 -1.81 -3.47 119.26 119.43 1ibk h ALA 50 Ca 0.74 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.66 1ibk h ALA 50 Cb 1.73 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.41 1ibk h ALA 50 CO -0.66 -0.12 -0.06 0.41 0.00 0.00 0.00 179.25 178.81 1ibk n GLY 51 N -1.45 -0.69 3.67 0.00 0.00 0.35 -1.96 105.19 105.10 1ibk n GLY 51 Ca 0.16 0.09 -0.35 0.00 0.00 0.00 0.00 46.02 45.92 1ibk n GLY 51 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1ibk s LEU 52 N -1.81 4.03 0.00 0.99 2.34 -1.26 -1.16 118.68 121.81 1ibk s LEU 52 Ca 0.03 0.13 0.00 0.00 0.06 0.00 0.00 54.13 54.35 1ibk s LEU 52 Cb -0.01 -2.05 0.00 0.00 -0.56 0.00 0.00 46.19 43.57 1ibk s LEU 52 CO 0.17 0.14 0.00 0.00 -1.06 0.00 0.00 176.35 175.60 1ibk n ALA 53 N 3.79 0.00 -1.93 1.48 0.00 -1.06 -4.90 120.51 117.89 1ibk n ALA 53 Ca -0.16 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 52.99 1ibk n ALA 53 Cb 0.52 0.00 0.16 0.00 0.00 0.00 0.00 19.45 20.13 1ibk n ALA 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1ibk s ARG 54 N 0.00 1.02 -0.43 0.00 3.52 -1.26 -4.94 118.95 116.86 1ibk s ARG 54 Ca 0.00 -0.34 0.08 0.00 -0.13 0.00 0.00 55.73 55.34 1ibk s ARG 54 Cb 0.00 -1.91 0.28 0.00 -1.56 0.00 0.00 34.95 31.77 1ibk s ARG 54 CO 0.00 -2.16 0.80 0.28 -0.81 0.00 0.00 175.30 173.41 1ibk n VAL 55 N -3.60 -0.24 -0.78 7.11 0.31 -1.26 -2.52 118.33 117.36 1ibk n VAL 55 Ca 0.14 -2.91 -0.22 0.00 -0.01 0.00 0.00 64.34 61.34 1ibk n VAL 55 Cb 0.60 0.11 0.06 0.00 -0.91 0.00 0.00 33.84 33.70 1ibk n VAL 55 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1ibk n ASP 56 N 1.01 -2.61 -3.64 4.52 8.00 -1.26 -4.67 116.55 117.89 1ibk n ASP 56 Ca 0.15 -0.10 -0.06 0.00 0.71 0.00 0.00 54.79 55.49 1ibk n ASP 56 Cb 0.62 -0.61 -0.07 0.00 -0.02 0.00 0.00 41.12 41.04 1ibk n ASP 56 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1ibk s ILE 57 N -2.04 0.00 0.27 0.53 1.01 -1.26 -2.90 121.20 116.80 1ibk s ILE 57 Ca 0.27 0.00 0.03 0.00 0.00 0.00 0.00 60.65 60.95 1ibk s ILE 57 Cb 0.01 -1.00 -0.05 0.00 0.01 0.00 0.00 42.46 41.43 1ibk s ILE 57 CO 0.39 0.00 0.06 -1.61 0.00 0.00 0.00 174.94 173.77 1ibk s GLU 58 N 0.69 1.45 0.23 2.79 2.02 -1.26 -0.97 118.70 123.66 1ibk s GLU 58 Ca -0.02 -1.78 -0.22 0.00 0.02 0.00 0.00 54.97 52.97 1ibk s GLU 58 Cb -0.04 -0.54 0.04 0.00 0.10 0.00 0.00 34.13 33.69 1ibk s GLU 58 CO -0.10 -0.20 0.72 1.03 0.02 0.00 0.00 175.26 176.72 1ibk s ARG 59 N -3.94 1.59 0.00 1.61 0.52 -1.26 -1.99 118.95 115.47 1ibk s ARG 59 Ca 0.35 -0.82 0.00 0.00 -0.52 0.00 0.00 55.73 54.74 1ibk s ARG 59 Cb 0.07 0.58 0.00 0.00 0.52 0.00 0.00 34.95 36.13 1ibk s ARG 59 CO 0.13 -0.72 0.00 0.00 0.02 0.00 0.00 175.30 174.73 1ibk n ALA 60 N -0.44 0.00 -1.27 2.13 0.00 -1.26 -4.82 120.51 114.85 1ibk n ALA 60 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1ibk n ALA 60 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 1ibk n ALA 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ibk n ALA 61 N 0.00 -2.54 -1.94 0.00 0.00 -1.26 -4.70 120.51 110.08 1ibk n ALA 61 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1ibk n ALA 61 Cb 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.49 1ibk n ALA 61 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ibk n ASP 62 N 0.93 0.00 0.00 0.00 8.00 -1.26 -4.79 116.55 119.42 1ibk n ASP 62 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1ibk n ASP 62 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1ibk n ASP 62 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1ibk n ASN 63 N 0.44 0.00 -4.79 -2.24 3.02 -1.22 -4.59 115.26 105.89 1ibk n ASN 63 Ca 0.00 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.18 1ibk n ASN 63 Cb 0.00 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.11 1ibk n ASN 63 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1ibk s VAL 64 N 0.00 4.28 0.01 2.41 1.01 -1.26 -4.31 120.40 122.54 1ibk s VAL 64 Ca 0.00 1.72 -0.23 0.00 0.00 0.00 0.00 61.98 63.47 1ibk s VAL 64 Cb 0.00 -3.99 -0.18 0.00 0.00 0.00 0.00 36.38 32.21 1ibk s VAL 64 CO 0.00 0.17 1.32 0.00 0.00 0.00 0.00 175.10 176.59 1ibk h ALA 65 N 3.28 0.09 -6.25 5.51 0.00 -1.75 -1.24 119.26 118.89 1ibk h ALA 65 Ca -0.47 -0.27 -0.21 0.00 0.00 0.00 0.00 54.91 53.96 1ibk h ALA 65 Cb 1.19 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.97 1ibk h ALA 65 CO 0.65 -0.12 -1.05 0.28 0.00 0.00 0.00 179.25 179.01 1ibk n VAL 66 N -4.74 -4.89 -1.54 0.00 0.31 -1.26 -3.18 118.33 103.03 1ibk n VAL 66 Ca -0.07 0.42 -0.33 0.00 -0.01 0.00 0.00 64.34 64.35 1ibk n VAL 66 Cb 0.28 -4.11 0.06 0.00 -0.91 0.00 0.00 33.84 29.16 1ibk n VAL 66 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1ibk n THR 67 N 0.26 3.38 -0.94 2.52 -1.04 -1.14 -2.65 114.28 114.66 1ibk n THR 67 Ca -0.03 -3.35 -0.39 0.00 -2.04 0.00 0.00 64.05 58.24 1ibk n THR 67 Cb 0.56 -1.16 -0.07 0.00 -1.82 0.00 0.00 70.33 67.84 1ibk n THR 67 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1ibk n VAL 68 N -0.84 0.00 -3.53 12.58 0.31 -1.21 -4.38 118.33 121.25 1ibk n VAL 68 Ca 0.58 0.00 -0.37 0.00 -0.01 0.00 0.00 64.34 64.53 1ibk n VAL 68 Cb 0.69 -0.30 -0.06 0.00 -0.91 0.00 0.00 33.84 33.26 1ibk n VAL 68 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 1ibk s HIS 69 N 2.60 3.62 0.02 3.52 3.76 -1.05 -3.14 115.29 124.63 1ibk s HIS 69 Ca 0.68 0.83 -0.02 0.00 -0.15 0.00 0.00 55.06 56.40 1ibk s HIS 69 Cb -0.91 -2.29 -0.02 0.00 1.11 0.00 0.00 32.58 30.47 1ibk s HIS 69 CO 0.46 0.50 0.00 0.08 -0.85 0.00 0.00 174.74 174.94 1ibk s VAL 70 N -0.50 0.11 0.10 -0.90 1.01 -0.88 -2.56 120.40 116.78 1ibk s VAL 70 Ca 0.21 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.30 1ibk s VAL 70 Cb -0.15 -0.37 -0.24 0.00 0.00 0.00 0.00 36.38 35.62 1ibk s VAL 70 CO 0.10 -0.50 1.20 0.00 0.00 0.00 0.00 175.10 175.89 1ibk h ALA 71 N 4.48 0.25 -2.48 5.51 0.00 -1.14 2.30 119.26 128.18 1ibk h ALA 71 Ca -0.32 -0.91 -0.60 0.00 0.00 0.00 0.00 54.91 53.08 1ibk h ALA 71 Cb 1.20 -0.07 -0.41 0.00 0.00 0.00 0.00 17.79 18.52 1ibk h ALA 71 CO 0.42 1.14 -0.70 1.63 0.00 0.00 0.00 179.25 181.74 1ibk n LYS 72 N -3.43 1.81 -0.22 0.00 5.02 -0.83 -4.58 118.16 115.93 1ibk n LYS 72 Ca -0.04 -4.26 0.19 0.00 -2.02 0.00 0.00 58.31 52.18 1ibk n LYS 72 Cb 0.98 -2.06 0.52 0.00 -0.02 0.00 0.00 35.03 34.45 1ibk n LYS 72 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1ibk h PRO 73 N 4.70 0.37 -0.40 1.97 0.13 -1.84 -1.94 132.00 134.99 1ibk h PRO 73 Ca 0.17 -0.02 0.08 0.00 -0.87 0.00 0.00 66.00 65.36 1ibk h PRO 73 Cb 0.75 -0.08 -0.09 0.00 0.13 0.00 0.00 31.00 31.70 1ibk h PRO 73 CO 0.70 0.25 -0.33 0.78 -0.23 0.00 0.00 178.00 179.17 1ibk h GLY 74 N 0.38 -0.26 -0.39 1.56 0.00 -1.94 0.86 103.07 103.29 1ibk h GLY 74 Ca 0.44 0.42 0.34 0.00 0.00 0.00 0.00 47.33 48.53 1ibk h GLY 74 CO -0.15 -0.21 0.83 -2.08 0.00 0.00 0.00 176.54 174.93 1ibk h VAL 75 N -0.26 0.41 0.00 4.60 2.07 -1.72 -0.21 116.25 121.15 1ibk h VAL 75 Ca 0.17 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.67 1ibk h VAL 75 Cb 0.54 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1ibk h VAL 75 CO -0.54 0.01 0.00 0.52 0.02 0.00 0.00 177.57 177.59 1ibk n VAL 76 N -4.27 0.00 -0.33 2.57 0.31 0.27 -4.23 118.33 112.65 1ibk n VAL 76 Ca 0.26 0.43 0.24 0.00 -0.01 0.00 0.00 64.34 65.26 1ibk n VAL 76 Cb 1.20 -1.20 0.45 0.00 -0.91 0.00 0.00 33.84 33.39 1ibk n VAL 76 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1ibk h ILE 77 N 0.00 0.00 0.00 2.52 1.08 -0.46 -2.91 117.51 117.75 1ibk h ILE 77 Ca 0.00 -0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1ibk h ILE 77 Cb 0.00 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 33.75 1ibk h ILE 77 CO 0.00 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 178.07 1ibk n GLY 78 N -1.37 -0.46 3.59 5.37 0.00 -0.12 -1.05 105.19 111.14 1ibk n GLY 78 Ca 0.31 -1.82 -0.42 0.00 0.00 0.00 0.00 46.02 44.10 1ibk n GLY 78 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1ibk s ARG 79 N -1.01 3.20 0.00 1.61 1.70 -1.26 -3.69 118.95 119.50 1ibk s ARG 79 Ca 0.00 1.08 0.00 0.00 -0.47 0.00 0.00 55.73 56.34 1ibk s ARG 79 Cb 0.00 -4.21 0.00 0.00 -0.57 0.00 0.00 34.95 30.17 1ibk s ARG 79 CO 0.00 -2.03 0.00 0.41 -1.08 0.00 0.00 175.30 172.60 1ibk n GLY 80 N 5.42 0.88 0.00 3.88 0.00 -1.26 -2.21 105.19 111.91 1ibk n GLY 80 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1ibk n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ibk n GLY 81 N 0.00 0.00 0.18 -0.02 0.00 -1.24 -5.05 105.19 99.06 1ibk n GLY 81 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 1ibk n GLY 81 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1ibk h GLU 82 N 0.00 0.54 0.02 1.61 4.57 -1.46 -3.33 114.58 116.53 1ibk h GLU 82 Ca 0.00 -0.52 -0.32 0.00 -1.18 0.00 0.00 59.36 57.34 1ibk h GLU 82 Cb 0.00 0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 28.68 1ibk h GLU 82 CO 0.00 1.15 -1.79 -2.13 -1.18 0.00 0.00 179.01 175.06 1ibk n ARG 83 N -3.83 0.60 0.16 1.92 0.63 -1.01 -3.66 116.66 111.48 1ibk n ARG 83 Ca -0.07 0.42 0.06 0.00 -0.92 0.00 0.00 57.85 57.34 1ibk n ARG 83 Cb 0.80 -1.66 0.33 0.00 0.45 0.00 0.00 32.46 32.37 1ibk n ARG 83 CO 0.00 0.00 0.00 1.51 -2.51 0.00 0.00 177.63 176.63 1ibk n ILE 84 N -4.18 0.55 0.04 5.15 3.06 -0.21 0.16 119.36 123.92 1ibk n ILE 84 Ca -0.39 0.75 -0.17 0.00 -2.50 0.00 0.00 62.75 60.43 1ibk n ILE 84 Cb 0.81 -1.75 -0.14 0.00 0.54 0.00 0.00 39.64 39.10 1ibk n ILE 84 CO 0.00 0.00 0.00 -0.09 -2.50 0.00 0.00 176.55 173.96 1ibk h ARG 85 N 0.00 0.23 -0.22 9.51 9.65 -1.71 -2.99 114.38 128.86 1ibk h ARG 85 Ca 0.00 -0.40 -0.07 0.00 -1.10 0.00 0.00 59.98 58.41 1ibk h ARG 85 Cb 0.68 0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 29.41 1ibk h ARG 85 CO 0.00 1.07 -0.14 0.28 2.80 0.00 0.00 179.97 183.98 1ibk h VAL 86 N 0.06 1.31 0.61 0.20 2.07 0.14 0.01 116.25 120.65 1ibk h VAL 86 Ca -0.31 -1.24 -0.02 0.00 0.82 0.00 0.00 66.70 65.96 1ibk h VAL 86 Cb 2.03 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 33.42 1ibk h VAL 86 CO 0.13 0.38 -0.47 -0.07 0.02 0.00 0.00 177.57 177.57 1ibk h LEU 87 N 0.19 -1.23 -0.49 2.57 3.38 -1.32 -2.07 115.31 116.34 1ibk h LEU 87 Ca 0.05 0.08 0.07 0.00 0.09 0.00 0.00 57.88 58.17 1ibk h LEU 87 Cb 0.65 0.38 -0.09 0.00 0.09 0.00 0.00 40.66 41.69 1ibk h LEU 87 CO 0.04 -0.67 -0.48 -0.09 0.09 0.00 0.00 178.44 177.33 1ibk h ARG 88 N -1.04 -0.30 0.00 1.13 9.65 -1.54 0.77 114.38 123.06 1ibk h ARG 88 Ca -0.08 0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.82 1ibk h ARG 88 Cb 0.86 0.07 0.00 0.00 -1.39 0.00 0.00 29.97 29.51 1ibk h ARG 88 CO 0.02 -0.20 0.57 1.49 2.80 0.00 0.00 179.97 184.65 1ibk h GLU 89 N -0.31 0.00 0.00 0.20 4.57 -0.61 0.91 114.58 119.34 1ibk h GLU 89 Ca 0.13 0.00 -0.25 0.00 -1.18 0.00 0.00 59.36 58.06 1ibk h GLU 89 Cb 0.58 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.12 1ibk h GLU 89 CO -0.63 0.00 -1.93 -1.91 -1.18 0.00 0.00 179.01 173.36 1ibk n GLU 90 N -2.10 1.65 -0.10 1.92 4.07 0.26 -4.36 120.64 121.98 1ibk n GLU 90 Ca -0.01 0.01 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1ibk n GLU 90 Cb 0.58 -1.34 0.00 0.00 -0.06 0.00 0.00 31.44 30.62 1ibk n GLU 90 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 1ibk n LEU 91 N -2.56 2.05 0.00 4.31 4.77 0.31 -1.26 117.00 124.62 1ibk n LEU 91 Ca -0.23 -0.97 0.00 0.00 -0.03 0.00 0.00 56.01 54.78 1ibk n LEU 91 Cb 0.92 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 1ibk n LEU 91 CO 0.27 0.36 0.00 0.00 -1.33 0.00 0.00 177.39 176.69 1ibk n ALA 92 N 1.10 0.46 0.15 -1.18 0.00 -1.25 -4.27 120.51 115.53 1ibk n ALA 92 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 1ibk n ALA 92 Cb 0.27 0.00 0.16 0.00 0.00 0.00 0.00 19.45 19.88 1ibk n ALA 92 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1ibk h LYS 93 N 0.00 0.00 0.00 0.00 1.79 -1.38 -3.01 116.57 113.97 1ibk h LYS 93 Ca 0.00 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.38 1ibk h LYS 93 Cb 0.00 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.64 1ibk h LYS 93 CO 0.00 0.50 -0.53 1.25 -1.08 0.00 0.00 179.45 179.58 1ibk h LEU 94 N 0.00 0.00 -7.41 2.94 5.85 -1.71 -3.44 115.31 111.54 1ibk h LEU 94 Ca -0.00 -0.62 -0.60 0.00 0.84 0.00 0.00 57.88 57.49 1ibk h LEU 94 Cb 1.19 0.00 -0.40 0.00 0.37 0.00 0.00 40.66 41.82 1ibk h LEU 94 CO 0.06 1.12 -0.75 0.42 -0.34 0.00 0.00 178.44 178.95 1ibk s THR 95 N -2.21 1.36 -0.69 1.05 -4.23 -1.22 -5.02 115.64 104.68 1ibk s THR 95 Ca -0.20 -1.55 -0.05 0.00 -1.18 0.00 0.00 61.69 58.71 1ibk s THR 95 Cb 0.01 -1.92 -0.05 0.00 1.34 0.00 0.00 72.50 71.89 1ibk s THR 95 CO 0.54 -0.50 1.84 0.61 -0.54 0.00 0.00 174.62 176.57 1ibk n GLY 96 N 4.67 2.74 0.00 3.99 0.00 -1.14 -3.88 105.19 111.57 1ibk n GLY 96 Ca -0.03 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.32 1ibk n GLY 96 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ibk n LYS 97 N 4.52 2.31 -2.81 1.61 5.02 -1.26 -5.06 118.16 122.49 1ibk n LYS 97 Ca 0.34 -0.25 -0.06 0.00 -2.02 0.00 0.00 58.31 56.33 1ibk n LYS 97 Cb 0.11 -0.72 0.01 0.00 -0.02 0.00 0.00 35.03 34.41 1ibk n LYS 97 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1ibk n ASN 98 N -0.40 -7.58 -4.71 4.39 2.85 -1.25 -3.38 115.26 105.17 1ibk n ASN 98 Ca 0.00 0.39 -0.29 0.00 -0.11 0.00 0.00 54.58 54.57 1ibk n ASN 98 Cb 0.01 -5.13 -0.07 0.00 1.24 0.00 0.00 39.78 35.83 1ibk n ASN 98 CO 0.00 0.00 0.00 0.68 -2.11 0.00 0.00 177.26 175.83 1ibk s VAL 99 N -2.61 4.08 0.00 3.44 -7.23 -1.26 -4.17 120.40 112.65 1ibk s VAL 99 Ca 0.19 -1.06 0.00 0.00 -1.81 0.00 0.00 61.98 59.29 1ibk s VAL 99 Cb -0.05 -2.99 0.00 0.00 0.56 0.00 0.00 36.38 33.90 1ibk s VAL 99 CO 0.72 0.04 0.00 0.00 -0.31 0.00 0.00 175.10 175.55 1ibk n ALA 100 N 0.29 0.00 0.00 1.32 0.00 -0.47 -4.93 120.51 116.72 1ibk n ALA 100 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1ibk n ALA 100 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 1ibk n ALA 100 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1ibk n LEU 101 N 0.00 0.00 -4.62 0.00 0.00 -1.19 -4.75 117.00 106.44 1ibk n LEU 101 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 56.01 55.67 1ibk n LEU 101 Cb 0.00 0.00 0.12 0.00 0.00 0.00 0.00 43.42 43.54 1ibk n LEU 101 CO 0.00 0.00 0.53 0.59 0.00 0.00 0.00 177.39 178.51 1ibk n ASN 102 N 0.00 0.23 -3.93 1.96 5.03 -1.09 -4.87 115.26 112.60 1ibk n ASN 102 Ca 0.00 0.55 -0.26 0.00 0.87 0.00 0.00 54.58 55.74 1ibk n ASN 102 Cb 0.00 -1.42 -0.17 0.00 -1.02 0.00 0.00 39.78 37.17 1ibk n ASN 102 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1ibk s VAL 103 N -2.14 1.02 0.17 2.41 1.01 -1.26 -3.36 120.40 118.25 1ibk s VAL 103 Ca 0.70 -0.32 0.07 0.00 0.00 0.00 0.00 61.98 62.43 1ibk s VAL 103 Cb -0.29 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 1ibk s VAL 103 CO 0.54 0.36 0.03 -1.58 0.00 0.00 0.00 175.10 174.45 1ibk s GLN 104 N 1.43 2.51 0.03 2.72 0.74 -1.19 -5.04 119.66 120.86 1ibk s GLN 104 Ca -0.00 -1.05 -0.21 0.00 0.05 0.00 0.00 55.36 54.15 1ibk s GLN 104 Cb -0.13 -2.42 -0.06 0.00 1.10 0.00 0.00 33.01 31.50 1ibk s GLN 104 CO -0.05 0.46 0.60 -2.00 -0.55 0.00 0.00 175.29 173.76 1ibk s GLU 105 N -2.96 4.30 -0.49 1.67 2.12 -1.26 -2.06 118.70 120.01 1ibk s GLU 105 Ca 0.28 0.77 -0.16 0.00 0.36 0.00 0.00 54.97 56.22 1ibk s GLU 105 Cb -0.09 -3.31 0.09 0.00 0.26 0.00 0.00 34.13 31.08 1ibk s GLU 105 CO 0.20 0.46 0.43 0.08 -0.54 0.00 0.00 175.26 175.89 1ibk s VAL 106 N -0.52 5.21 -0.26 3.70 1.01 0.77 -4.80 120.40 125.52 1ibk s VAL 106 Ca 0.31 -1.16 -0.18 0.00 0.00 0.00 0.00 61.98 60.95 1ibk s VAL 106 Cb -0.19 -4.19 -0.03 0.00 0.00 0.00 0.00 36.38 31.97 1ibk s VAL 106 CO 0.18 -0.67 0.50 0.00 0.00 0.00 0.00 175.10 175.11 1ibk s GLN 107 N 1.67 4.07 -0.29 2.72 1.03 -1.26 -4.10 119.66 123.50 1ibk s GLN 107 Ca 0.04 0.29 -0.04 0.00 0.04 0.00 0.00 55.36 55.70 1ibk s GLN 107 Cb -0.26 -3.65 0.00 0.00 0.03 0.00 0.00 33.01 29.14 1ibk s GLN 107 CO 0.06 -0.34 0.32 -1.71 -2.54 0.00 0.00 175.29 171.08 1ibk n ASN 108 N 5.49 -4.84 0.14 12.60 5.15 -1.26 -4.84 115.26 127.70 1ibk n ASN 108 Ca -0.05 0.10 0.07 0.00 -0.60 0.00 0.00 54.58 54.11 1ibk n ASN 108 Cb 0.50 -3.11 0.39 0.00 -0.53 0.00 0.00 39.78 37.03 1ibk n ASN 108 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1ibk n PRO 109 N -0.92 0.09 0.22 1.20 -0.04 -1.26 -0.92 135.00 133.37 1ibk n PRO 109 Ca 0.03 0.57 0.16 0.00 -0.04 0.00 0.00 63.50 64.21 1ibk n PRO 109 Cb 0.37 -1.95 0.71 0.00 -0.04 0.00 0.00 33.50 32.59 1ibk n PRO 109 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1ibk h ASN 110 N 0.00 0.00 -0.23 3.54 2.35 -1.91 -0.22 115.58 119.11 1ibk h ASN 110 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1ibk h ASN 110 Cb 0.28 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.65 1ibk h ASN 110 CO 0.00 0.00 0.00 0.18 -1.65 0.00 0.00 177.43 175.96 1ibk n LEU 111 N -2.66 2.56 -4.16 1.61 4.77 -0.10 -4.10 117.00 114.92 1ibk n LEU 111 Ca -0.00 -1.86 -0.39 0.00 -0.03 0.00 0.00 56.01 53.73 1ibk n LEU 111 Cb 0.18 -0.15 -0.07 0.00 -2.33 0.00 0.00 43.42 41.05 1ibk n LEU 111 CO 0.20 0.63 0.23 -0.55 -1.33 0.00 0.00 177.39 176.56 1ibk s SER 112 N -0.96 5.81 0.23 -1.43 0.15 -0.10 -4.97 113.70 112.44 1ibk s SER 112 Ca 0.16 -3.06 -0.18 0.00 0.70 0.00 0.00 55.95 53.57 1ibk s SER 112 Cb 0.09 -1.96 0.23 0.00 -1.71 0.00 0.00 66.02 62.68 1ibk s SER 112 CO 0.12 -0.36 1.56 0.00 1.20 0.00 0.00 173.24 175.75 1ibk h ALA 113 N 6.92 0.15 -1.36 5.45 0.00 -1.86 0.18 119.26 128.75 1ibk h ALA 113 Ca 0.06 0.27 0.40 0.00 0.00 0.00 0.00 54.91 55.63 1ibk h ALA 113 Cb 0.93 0.98 -0.07 0.00 0.00 0.00 0.00 17.79 19.64 1ibk h ALA 113 CO 0.76 -0.62 0.96 -1.35 0.00 0.00 0.00 179.25 179.00 1ibk h PRO 114 N -0.02 0.06 0.04 0.00 0.11 -1.87 0.39 132.00 130.70 1ibk h PRO 114 Ca 0.34 -0.00 -0.18 0.00 0.11 0.00 0.00 66.00 66.27 1ibk h PRO 114 Cb 0.60 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.68 1ibk h PRO 114 CO -0.96 0.04 -0.94 -0.07 -0.21 0.00 0.00 178.00 175.85 1ibk h LEU 115 N 0.06 0.12 -1.34 2.35 3.38 -1.26 -3.26 115.31 115.36 1ibk h LEU 115 Ca 0.68 -0.76 0.31 0.00 0.09 0.00 0.00 57.88 58.20 1ibk h LEU 115 Cb 2.54 -0.04 -0.11 0.00 0.09 0.00 0.00 40.66 43.14 1ibk h LEU 115 CO -0.09 1.39 0.71 0.58 0.09 0.00 0.00 178.44 181.12 1ibk h VAL 116 N -0.78 0.40 0.24 1.22 2.07 -0.42 0.59 116.25 119.56 1ibk h VAL 116 Ca -0.23 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 1ibk h VAL 116 Cb 1.36 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 1ibk h VAL 116 CO -0.06 0.06 -0.11 0.00 0.02 0.00 0.00 177.57 177.47 1ibk h ALA 117 N 1.64 -0.32 -0.88 1.67 0.00 -1.42 -2.66 119.26 117.29 1ibk h ALA 117 Ca 0.67 -0.15 0.24 0.00 0.00 0.00 0.00 54.91 55.66 1ibk h ALA 117 Cb 1.80 0.12 -0.14 0.00 0.00 0.00 0.00 17.79 19.57 1ibk h ALA 117 CO -0.36 -0.56 0.25 1.96 0.00 0.00 0.00 179.25 180.55 1ibk h GLN 118 N -0.55 0.21 0.39 0.00 4.20 0.11 1.00 115.11 120.47 1ibk h GLN 118 Ca -0.03 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 1ibk h GLN 118 Cb 0.41 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.14 1ibk h GLN 118 CO 0.05 0.14 -0.19 -0.09 -0.67 0.00 0.00 178.83 178.08 1ibk h ARG 119 N 0.22 -0.51 -1.11 1.46 9.65 -1.27 2.26 114.38 125.07 1ibk h ARG 119 Ca 0.56 0.03 0.34 0.00 -1.10 0.00 0.00 59.98 59.81 1ibk h ARG 119 Cb 1.12 0.12 -0.12 0.00 -1.39 0.00 0.00 29.97 29.69 1ibk h ARG 119 CO -0.65 -0.34 0.69 0.28 2.80 0.00 0.00 179.97 182.76 1ibk h VAL 120 N -0.61 0.33 0.44 0.20 2.07 -0.99 1.21 116.25 118.89 1ibk h VAL 120 Ca -0.05 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 1ibk h VAL 120 Cb 0.40 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.20 1ibk h VAL 120 CO 0.09 0.05 -0.21 0.00 0.02 0.00 0.00 177.57 177.52 1ibk h ALA 121 N 1.69 -0.60 -0.45 1.67 0.00 0.13 -1.77 119.26 119.93 1ibk h ALA 121 Ca 0.71 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 55.50 1ibk h ALA 121 Cb 1.88 0.23 -0.09 0.00 0.00 0.00 0.00 17.79 19.81 1ibk h ALA 121 CO -0.44 -0.63 -0.48 1.49 0.00 0.00 0.00 179.25 179.18 1ibk h GLU 122 N -1.00 -0.32 -0.10 0.00 4.81 1.13 -1.27 114.58 117.83 1ibk h GLU 122 Ca -0.06 0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.23 1ibk h GLU 122 Cb 0.57 0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.95 1ibk h GLU 122 CO 0.10 -0.21 -0.44 1.96 -0.73 0.00 0.00 179.01 179.69 1ibk h GLN 123 N -0.33 -0.50 -0.96 1.92 4.20 0.95 -0.51 115.11 119.88 1ibk h GLN 123 Ca 0.12 0.03 0.30 0.00 0.06 0.00 0.00 58.65 59.17 1ibk h GLN 123 Cb 0.58 0.11 -0.16 0.00 0.30 0.00 0.00 27.48 28.32 1ibk h GLN 123 CO -0.61 -0.34 0.37 0.82 -0.67 0.00 0.00 178.83 178.40 1ibk h ILE 124 N -0.52 0.20 -0.20 2.54 2.04 -0.35 0.72 117.51 121.94 1ibk h ILE 124 Ca 0.06 -0.06 -0.12 0.00 1.00 0.00 0.00 64.86 65.74 1ibk h ILE 124 Cb 0.64 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 1ibk h ILE 124 CO -0.38 0.03 -0.40 -0.33 0.00 0.00 0.00 178.15 177.07 1ibk h GLU 125 N 0.18 0.45 0.00 2.37 5.08 -0.05 -2.44 114.58 120.17 1ibk h GLU 125 Ca 0.68 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.81 1ibk h GLU 125 Cb 1.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.79 1ibk h GLU 125 CO -0.70 0.78 0.00 0.54 -1.00 0.00 0.00 179.01 178.63 1ibk n ARG 126 N -4.03 0.03 -1.27 2.33 1.74 0.24 -4.91 116.66 110.80 1ibk n ARG 126 Ca -0.02 0.15 0.00 0.00 -0.77 0.00 0.00 57.85 57.21 1ibk n ARG 126 Cb 0.50 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.44 1ibk n ARG 126 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1ibk n ARG 127 N -1.48 0.00 -3.91 5.56 1.74 -0.52 -5.08 116.66 112.98 1ibk n ARG 127 Ca 0.05 0.18 -0.23 0.00 -0.77 0.00 0.00 57.85 57.09 1ibk n ARG 127 Cb 0.23 -1.27 -0.05 0.00 -1.02 0.00 0.00 32.46 30.35 1ibk n ARG 127 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1ibk s PHE 128 N -2.84 2.70 -0.55 -1.55 0.40 -1.19 -5.02 117.98 109.93 1ibk s PHE 128 Ca 0.00 -0.47 -0.27 0.00 -0.60 0.00 0.00 56.93 55.59 1ibk s PHE 128 Cb 0.00 -1.92 -0.00 0.00 0.51 0.00 0.00 43.02 41.61 1ibk s PHE 128 CO 0.00 0.13 1.61 0.00 0.70 0.00 0.00 175.22 177.66 1ibk s ALA 129 N -2.48 2.62 0.11 5.36 0.00 -1.26 -4.82 121.76 121.29 1ibk s ALA 129 Ca 0.42 -0.54 -0.27 0.00 0.00 0.00 0.00 51.96 51.57 1ibk s ALA 129 Cb -0.01 -4.16 -0.09 0.00 0.00 0.00 0.00 23.12 18.87 1ibk s ALA 129 CO 0.25 -3.19 1.63 0.28 0.00 0.00 0.00 175.76 174.73 1ibk h VAL 130 N 6.59 0.40 -1.02 0.00 2.07 -1.98 0.24 116.25 122.55 1ibk h VAL 130 Ca -0.28 0.00 0.35 0.00 0.82 0.00 0.00 66.70 67.60 1ibk h VAL 130 Cb 1.12 0.40 -0.16 0.00 -1.52 0.00 0.00 31.29 31.13 1ibk h VAL 130 CO 1.17 0.00 0.58 -0.09 0.02 0.00 0.00 177.57 179.25 1ibk h ARG 131 N -0.50 0.22 0.03 1.57 2.43 -1.99 -0.43 114.38 115.72 1ibk h ARG 131 Ca 0.03 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1ibk h ARG 131 Cb 0.52 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 1ibk h ARG 131 CO -0.15 0.15 -0.02 0.00 -1.51 0.00 0.00 179.97 178.44 1ibk h ARG 132 N 0.23 -0.04 -0.19 0.20 3.08 -1.59 -2.11 114.38 113.96 1ibk h ARG 132 Ca 0.77 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.85 1ibk h ARG 132 Cb 1.86 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 31.89 1ibk h ARG 132 CO -0.64 -0.03 -0.08 0.00 -1.07 0.00 0.00 179.97 178.16 1ibk n ALA 133 N -2.05 -0.02 0.28 0.04 0.00 0.71 0.18 120.51 119.65 1ibk n ALA 133 Ca -0.01 0.19 -0.13 0.00 0.00 0.00 0.00 53.44 53.50 1ibk n ALA 133 Cb 0.02 -0.09 -0.06 0.00 0.00 0.00 0.00 19.45 19.32 1ibk n ALA 133 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1ibk h ILE 134 N 0.00 0.12 -0.89 0.00 2.04 -1.23 -2.27 117.51 115.28 1ibk h ILE 134 Ca 0.07 -0.43 0.21 0.00 1.00 0.00 0.00 64.86 65.70 1ibk h ILE 134 Cb 0.11 0.18 -0.16 0.00 -0.74 0.00 0.00 36.82 36.21 1ibk h ILE 134 CO -0.19 0.02 -0.05 0.11 0.00 0.00 0.00 178.15 178.04 1ibk h LYS 135 N -1.15 0.04 0.33 2.37 1.57 0.26 -1.75 116.57 118.24 1ibk h LYS 135 Ca -0.08 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1ibk h LYS 135 Cb 0.62 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.92 1ibk h LYS 135 CO 0.13 0.03 -0.23 1.96 -0.57 0.00 0.00 179.45 180.77 1ibk h GLN 136 N 0.04 -0.51 -0.98 3.15 4.20 -0.31 -3.08 115.11 117.61 1ibk h GLN 136 Ca 0.49 0.03 0.15 0.00 0.06 0.00 0.00 58.65 59.38 1ibk h GLN 136 Cb 0.89 0.12 -0.15 0.00 0.30 0.00 0.00 27.48 28.63 1ibk h GLN 136 CO -0.84 -0.34 -0.40 0.00 -0.67 0.00 0.00 178.83 176.58 1ibk n ALA 137 N -2.43 -0.17 -0.23 3.87 0.00 -0.72 0.49 120.51 121.33 1ibk n ALA 137 Ca -0.06 0.96 -0.07 0.00 0.00 0.00 0.00 53.44 54.27 1ibk n ALA 137 Cb 0.23 -0.41 -0.02 0.00 0.00 0.00 0.00 19.45 19.25 1ibk n ALA 137 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ibk h VAL 138 N 0.00 0.10 -0.02 0.00 2.07 -1.41 0.79 116.25 117.79 1ibk h VAL 138 Ca 0.32 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.85 1ibk h VAL 138 Cb 0.57 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 1ibk h VAL 138 CO -0.97 0.00 -0.22 1.56 0.02 0.00 0.00 177.57 177.96 1ibk h GLN 139 N -0.18 -0.26 -0.73 1.57 1.08 0.13 0.46 115.11 117.19 1ibk h GLN 139 Ca 0.21 0.02 0.14 0.00 -1.45 0.00 0.00 58.65 57.57 1ibk h GLN 139 Cb 0.56 0.06 -0.13 0.00 -0.05 0.00 0.00 27.48 27.92 1ibk h GLN 139 CO -0.72 -0.17 -0.21 0.54 -0.95 0.00 0.00 178.83 177.31 1ibk n ARG 140 N -3.73 -0.10 0.09 1.46 1.74 -0.32 0.34 116.66 116.15 1ibk n ARG 140 Ca -0.03 1.14 -0.02 0.00 -0.77 0.00 0.00 57.85 58.17 1ibk n ARG 140 Cb 0.16 -1.69 0.22 0.00 -1.02 0.00 0.00 32.46 30.13 1ibk n ARG 140 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1ibk h VAL 141 N 0.00 1.31 0.12 1.55 2.07 0.33 0.43 116.25 122.06 1ibk h VAL 141 Ca 0.32 -1.50 -0.30 0.00 0.82 0.00 0.00 66.70 66.04 1ibk h VAL 141 Cb 0.50 1.66 0.03 0.00 -1.52 0.00 0.00 31.29 31.97 1ibk h VAL 141 CO -0.75 0.45 -1.25 0.24 0.02 0.00 0.00 177.57 176.29 1ibk h MET 142 N 0.22 0.63 -0.28 1.57 2.86 0.97 -1.59 114.93 119.31 1ibk h MET 142 Ca 0.02 -0.84 0.02 0.00 -2.06 0.00 0.00 59.70 56.84 1ibk h MET 142 Cb 0.81 0.28 -0.03 0.00 0.06 0.00 0.00 31.60 32.72 1ibk h MET 142 CO 0.06 1.39 0.12 0.93 1.06 0.00 0.00 176.91 180.46 1ibk h GLU 143 N 0.28 0.25 -0.83 1.72 5.08 0.61 -1.88 114.58 119.80 1ibk h GLU 143 Ca -0.19 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 1ibk h GLU 143 Cb 1.92 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 31.11 1ibk h GLU 143 CO 0.24 0.16 0.00 -1.13 -1.00 0.00 0.00 179.01 177.28 1ibk n SER 144 N -5.00 0.98 0.00 1.42 3.41 0.15 -4.83 113.62 109.75 1ibk n SER 144 Ca -0.01 -1.28 0.00 0.00 -0.26 0.00 0.00 58.87 57.32 1ibk n SER 144 Cb 0.08 -0.32 0.00 0.00 -0.26 0.00 0.00 64.21 63.71 1ibk n SER 144 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ibk n GLY 145 N 0.31 0.78 3.68 5.00 0.00 -0.70 -4.84 105.19 109.42 1ibk n GLY 145 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1ibk n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ibk s ALA 146 N -2.92 1.52 -2.49 4.61 0.00 -0.60 -4.91 121.76 116.97 1ibk s ALA 146 Ca 0.00 0.44 0.26 0.00 0.00 0.00 0.00 51.96 52.66 1ibk s ALA 146 Cb 0.00 -3.39 0.56 0.00 0.00 0.00 0.00 23.12 20.29 1ibk s ALA 146 CO 0.00 -2.60 1.46 1.17 0.00 0.00 0.00 175.76 175.79 1ibk n LYS 147 N -4.11 1.70 0.00 0.00 4.81 -0.16 -4.82 118.16 115.59 1ibk n LYS 147 Ca 0.10 -1.23 0.00 0.00 -0.87 0.00 0.00 58.31 56.32 1ibk n LYS 147 Cb 0.53 -1.47 0.00 0.00 0.02 0.00 0.00 35.03 34.10 1ibk n LYS 147 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ibk n GLY 148 N 1.30 2.09 3.49 3.14 0.00 -1.21 -2.04 105.19 111.96 1ibk n GLY 148 Ca 0.15 -0.78 -0.11 0.00 0.00 0.00 0.00 46.02 45.28 1ibk n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ibk s ALA 149 N -2.00 -1.78 -0.08 4.61 0.00 0.93 0.07 121.76 123.51 1ibk s ALA 149 Ca 0.00 0.99 -0.11 0.00 0.00 0.00 0.00 51.96 52.84 1ibk s ALA 149 Cb 0.00 0.34 0.02 0.00 0.00 0.00 0.00 23.12 23.49 1ibk s ALA 149 CO 0.00 -0.62 0.28 0.21 0.00 0.00 0.00 175.76 175.62 1ibk s LYS 150 N -2.81 0.42 -0.01 0.00 2.20 0.80 -1.18 119.74 119.17 1ibk s LYS 150 Ca 0.01 0.19 0.03 0.00 -0.36 0.00 0.00 55.97 55.85 1ibk s LYS 150 Cb -0.01 0.20 -0.01 0.00 -1.51 0.00 0.00 37.83 36.50 1ibk s LYS 150 CO -0.07 -0.08 -0.11 0.08 -0.36 0.00 0.00 175.35 174.81 1ibk s VAL 151 N -0.32 0.90 -0.06 4.02 1.01 -0.86 0.13 120.40 125.22 1ibk s VAL 151 Ca -0.04 -0.48 -0.01 0.00 0.00 0.00 0.00 61.98 61.45 1ibk s VAL 151 Cb -0.03 -0.75 0.03 0.00 0.00 0.00 0.00 36.38 35.62 1ibk s VAL 151 CO 0.01 0.26 0.01 -0.63 0.00 0.00 0.00 175.10 174.75 1ibk s ILE 152 N -0.20 0.26 -0.04 2.22 1.01 0.30 -4.11 121.20 120.63 1ibk s ILE 152 Ca 0.03 0.16 0.01 0.00 0.00 0.00 0.00 60.65 60.85 1ibk s ILE 152 Cb -0.05 -0.41 -0.03 0.00 0.01 0.00 0.00 42.46 41.97 1ibk s ILE 152 CO -0.00 0.22 -0.03 -0.69 0.00 0.00 0.00 174.94 174.44 1ibk s VAL 153 N 1.75 3.98 0.00 2.92 1.01 -0.27 0.89 120.40 130.68 1ibk s VAL 153 Ca 0.01 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 61.48 1ibk s VAL 153 Cb -0.13 -2.70 0.00 0.00 0.00 0.00 0.00 36.38 33.55 1ibk s VAL 153 CO -0.04 0.50 0.00 -1.54 0.00 0.00 0.00 175.10 174.02 1ibk n SER 154 N 1.84 0.00 -4.70 3.32 3.41 -0.60 -1.17 113.62 115.72 1ibk n SER 154 Ca -0.17 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.13 1ibk n SER 154 Cb 0.53 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.39 1ibk n SER 154 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1ibk s GLY 155 N 0.00 2.86 0.00 5.00 0.00 -1.13 -2.20 107.32 111.86 1ibk s GLY 155 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 44.72 43.73 1ibk s GLY 155 CO 0.00 -2.16 0.00 0.54 0.00 0.00 0.00 173.10 171.48 1ibk n ARG 156 N -1.16 0.00 -1.66 2.90 5.12 -1.26 -4.64 116.66 115.96 1ibk n ARG 156 Ca -0.15 0.20 -0.56 0.00 -1.93 0.00 0.00 57.85 55.41 1ibk n ARG 156 Cb 0.67 -2.75 -0.07 0.00 -1.16 0.00 0.00 32.46 29.15 1ibk n ARG 156 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 1ibk n ILE 157 N -2.79 0.32 -0.90 0.55 5.41 -1.26 0.16 119.36 120.85 1ibk n ILE 157 Ca 0.00 -0.09 0.00 0.00 1.00 0.00 0.00 62.75 63.66 1ibk n ILE 157 Cb 0.00 -1.35 0.00 0.00 -0.71 0.00 0.00 39.64 37.58 1ibk n ILE 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1ibk n GLY 158 N 4.65 0.69 1.68 7.39 0.00 -1.26 -2.95 105.19 115.38 1ibk n GLY 158 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.31 1ibk n GLY 158 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ibk n GLY 159 N -2.59 0.57 3.69 -0.02 0.00 0.43 -5.00 105.19 102.27 1ibk n GLY 159 Ca 0.00 -0.10 -0.44 0.00 0.00 0.00 0.00 46.02 45.48 1ibk n GLY 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ibk n ALA 160 N 0.52 1.37 -0.22 4.61 0.00 -1.15 -4.89 120.51 120.74 1ibk n ALA 160 Ca 0.00 0.39 -0.06 0.00 0.00 0.00 0.00 53.44 53.77 1ibk n ALA 160 Cb 0.00 -2.30 0.04 0.00 0.00 0.00 0.00 19.45 17.19 1ibk n ALA 160 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1ibk h GLU 161 N 3.87 0.81 -5.80 0.00 4.81 -1.92 -3.39 114.58 112.96 1ibk h GLU 161 Ca -0.46 -0.05 -0.62 0.00 -0.13 0.00 0.00 59.36 58.11 1ibk h GLU 161 Cb 1.27 -0.18 -0.12 0.00 0.63 0.00 0.00 28.75 30.35 1ibk h GLU 161 CO 0.73 0.54 0.37 -0.65 -0.73 0.00 0.00 179.01 179.27 1ibk s GLN 162 N -6.15 3.58 0.52 1.92 -1.52 -1.26 -4.92 119.66 111.84 1ibk s GLN 162 Ca -0.13 0.11 -0.20 0.00 -1.95 0.00 0.00 55.36 53.19 1ibk s GLN 162 Cb 0.13 -3.88 -0.09 0.00 -0.22 0.00 0.00 33.01 28.96 1ibk s GLN 162 CO 0.76 -0.99 0.70 0.00 -0.25 0.00 0.00 175.29 175.50 1ibk n ALA 163 N 6.60 -0.72 -3.00 6.09 0.00 -1.26 -4.42 120.51 123.79 1ibk n ALA 163 Ca 0.03 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1ibk n ALA 163 Cb 0.48 -1.92 0.00 0.00 0.00 0.00 0.00 19.45 18.02 1ibk n ALA 163 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ibk n ARG 164 N -0.07 1.45 -3.09 0.00 1.74 -1.26 -4.69 116.66 110.73 1ibk n ARG 164 Ca 0.12 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 57.24 1ibk n ARG 164 Cb 0.44 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.88 1ibk n ARG 164 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1ibk s THR 165 N 2.13 -0.39 0.04 0.55 2.01 -0.93 -2.81 115.64 116.23 1ibk s THR 165 Ca 0.00 0.00 -0.30 0.00 0.31 0.00 0.00 61.69 61.70 1ibk s THR 165 Cb 0.00 -0.31 -0.04 0.00 0.01 0.00 0.00 72.50 72.16 1ibk s THR 165 CO 0.00 0.00 0.98 -0.70 -0.69 0.00 0.00 174.62 174.21 1ibk s GLU 166 N 2.73 4.60 0.00 4.92 2.56 -0.31 -4.91 118.70 128.29 1ibk s GLU 166 Ca 0.23 1.44 0.00 0.00 0.00 0.00 0.00 54.97 56.64 1ibk s GLU 166 Cb -0.02 -3.43 0.00 0.00 2.00 0.00 0.00 34.13 32.68 1ibk s GLU 166 CO -0.21 0.02 0.00 1.87 -0.56 0.00 0.00 175.26 176.38 1ibk n TRP 167 N 3.56 0.00 -0.14 5.30 -0.00 -1.26 -1.11 117.44 123.79 1ibk n TRP 167 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.55 1ibk n TRP 167 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.81 1ibk n TRP 167 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1ibk n ALA 168 N -3.00 -1.81 -3.58 5.87 0.00 -1.26 -4.40 120.51 112.33 1ibk n ALA 168 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 1ibk n ALA 168 Cb 0.00 -0.30 -0.04 0.00 0.00 0.00 0.00 19.45 19.11 1ibk n ALA 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ibk s ALA 169 N -0.33 -1.98 0.05 0.00 0.00 -1.26 -2.04 121.76 116.19 1ibk s ALA 169 Ca 0.00 1.58 -0.06 0.00 0.00 0.00 0.00 51.96 53.48 1ibk s ALA 169 Cb 0.00 -0.63 -0.01 0.00 0.00 0.00 0.00 23.12 22.48 1ibk s ALA 169 CO 0.00 -0.40 0.10 -1.14 0.00 0.00 0.00 175.76 174.32 1ibk s GLN 170 N -1.60 0.63 0.42 0.00 0.74 -0.32 -5.01 119.66 114.51 1ibk s GLN 170 Ca 0.03 -0.81 0.00 0.00 0.05 0.00 0.00 55.36 54.63 1ibk s GLN 170 Cb -0.01 0.25 0.00 0.00 1.10 0.00 0.00 33.01 34.35 1ibk s GLN 170 CO -0.03 -0.16 0.00 0.41 -0.55 0.00 0.00 175.29 174.96 1ibk n GLY 171 N 0.60 -2.56 3.69 2.59 0.00 -1.26 -0.05 105.19 108.20 1ibk n GLY 171 Ca -0.18 -1.16 -0.45 0.00 0.00 0.00 0.00 46.02 44.23 1ibk n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ibk n ARG 172 N -4.04 2.44 -2.65 1.61 5.12 -0.86 -4.38 116.66 113.89 1ibk n ARG 172 Ca -0.03 0.88 -0.11 0.00 -1.93 0.00 0.00 57.85 56.66 1ibk n ARG 172 Cb 0.57 -2.71 0.03 0.00 -1.16 0.00 0.00 32.46 29.19 1ibk n ARG 172 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1ibk n VAL 173 N 4.09 1.10 -1.63 1.55 0.31 -1.26 -3.70 118.33 118.79 1ibk n VAL 173 Ca 0.18 -3.23 -0.40 0.00 -0.01 0.00 0.00 64.34 60.87 1ibk n VAL 173 Cb 0.32 0.49 -0.03 0.00 -0.91 0.00 0.00 33.84 33.71 1ibk n VAL 173 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1ibk s PRO 174 N -3.15 2.71 0.12 5.55 0.04 -1.26 -4.85 135.00 134.16 1ibk s PRO 174 Ca 0.29 1.68 0.15 0.00 0.04 0.00 0.00 61.00 63.16 1ibk s PRO 174 Cb 0.45 -4.45 -0.09 0.00 0.04 0.00 0.00 34.50 30.46 1ibk s PRO 174 CO 0.02 -2.59 1.03 -0.07 0.04 0.00 0.00 177.00 175.43 1ibk h LEU 175 N 16.86 0.00 -0.43 -3.56 3.38 -2.03 -3.33 115.31 126.20 1ibk h LEU 175 Ca -0.33 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.46 1ibk h LEU 175 Cb 1.24 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 1ibk h LEU 175 CO 1.06 0.62 -0.71 0.45 0.09 0.00 0.00 178.44 179.94 1ibk h HIS 176 N 0.00 0.52 -1.33 1.13 3.86 -2.04 -3.40 115.15 113.88 1ibk h HIS 176 Ca -0.11 -0.23 -0.44 0.00 -1.16 0.00 0.00 60.37 58.44 1ibk h HIS 176 Cb 1.57 -0.08 -0.06 0.00 1.06 0.00 0.00 27.41 29.90 1ibk h HIS 176 CO 0.00 0.97 1.08 -0.08 0.86 0.00 0.00 177.93 180.77 1ibk s THR 177 N -3.63 3.54 -0.81 2.45 -1.32 -1.25 -4.89 115.64 109.73 1ibk s THR 177 Ca -0.05 -0.19 -0.25 0.00 -1.21 0.00 0.00 61.69 59.98 1ibk s THR 177 Cb 0.11 -4.29 -0.05 0.00 -1.51 0.00 0.00 72.50 66.75 1ibk s THR 177 CO 0.83 -1.23 1.98 -0.22 -2.21 0.00 0.00 174.62 173.77 1ibk s LEU 178 N 8.34 3.18 0.00 9.08 2.96 -1.26 -2.61 118.68 138.37 1ibk s LEU 178 Ca 0.61 -0.30 0.00 0.00 -0.22 0.00 0.00 54.13 54.21 1ibk s LEU 178 Cb -0.07 -2.55 0.00 0.00 0.50 0.00 0.00 46.19 44.07 1ibk s LEU 178 CO 0.05 -2.75 0.00 -1.14 -1.32 0.00 0.00 176.35 171.19 1ibk n ARG 179 N 8.94 0.00 -0.25 1.98 0.00 -1.26 -5.00 116.66 121.08 1ibk n ARG 179 Ca 0.36 0.00 0.22 0.00 -0.00 0.00 0.00 57.85 58.42 1ibk n ARG 179 Cb 0.48 0.00 0.40 0.00 0.00 0.00 0.00 32.46 33.34 1ibk n ARG 179 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ibk n ALA 180 N 0.00 0.70 -1.05 5.13 0.00 -1.07 -4.59 120.51 119.62 1ibk n ALA 180 Ca 0.00 0.79 0.00 0.00 0.00 0.00 0.00 53.44 54.23 1ibk n ALA 180 Cb 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 19.45 18.71 1ibk n ALA 180 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1ibk n ASN 181 N -4.80 -1.40 -4.14 0.00 2.85 -1.26 -3.33 115.26 103.17 1ibk n ASN 181 Ca 0.27 0.00 -0.27 0.00 -0.11 0.00 0.00 54.58 54.46 1ibk n ASN 181 Cb 0.90 -0.70 -0.16 0.00 1.24 0.00 0.00 39.78 41.05 1ibk n ASN 181 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1ibk s ILE 182 N 0.00 1.53 -0.09 -1.44 1.01 -1.26 -2.61 121.20 118.34 1ibk s ILE 182 Ca 0.00 -0.76 -0.15 0.00 0.00 0.00 0.00 60.65 59.74 1ibk s ILE 182 Cb 0.00 -1.32 -0.05 0.00 0.01 0.00 0.00 42.46 41.10 1ibk s ILE 182 CO 0.00 0.44 0.38 -0.62 0.00 0.00 0.00 174.94 175.14 1ibk s ASP 183 N 0.12 6.63 0.05 3.58 3.68 -0.23 -4.78 116.67 125.73 1ibk s ASP 183 Ca -0.07 0.75 0.04 0.00 2.13 0.00 0.00 52.55 55.40 1ibk s ASP 183 Cb -0.13 -2.23 -0.04 0.00 -1.45 0.00 0.00 42.92 39.07 1ibk s ASP 183 CO 0.03 0.17 -0.01 -0.47 0.13 0.00 0.00 175.17 175.02 1ibk s TYR 184 N -0.11 2.99 -0.21 -5.34 5.04 -1.26 -0.85 117.35 117.62 1ibk s TYR 184 Ca 0.22 -0.00 -0.09 0.00 -2.44 0.00 0.00 57.07 54.75 1ibk s TYR 184 Cb -0.15 -1.58 0.08 0.00 0.35 0.00 0.00 41.96 40.66 1ibk s TYR 184 CO 0.09 0.46 0.47 0.20 -1.34 0.00 0.00 175.55 175.42 1ibk s GLY 185 N -1.95 -0.41 0.26 8.97 0.00 -0.19 -4.08 107.32 109.92 1ibk s GLY 185 Ca 0.22 1.69 0.08 0.00 0.00 0.00 0.00 44.72 46.71 1ibk s GLY 185 CO 0.14 2.22 0.09 -0.12 0.00 0.00 0.00 173.10 175.43 1ibk s PHE 186 N 2.12 2.89 -0.29 1.90 5.36 -1.26 -0.01 117.98 128.69 1ibk s PHE 186 Ca -0.06 -0.17 -0.13 0.00 -0.96 0.00 0.00 56.93 55.61 1ibk s PHE 186 Cb -0.10 -1.30 0.11 0.00 -0.34 0.00 0.00 43.02 41.39 1ibk s PHE 186 CO -0.14 0.57 0.69 0.00 -1.46 0.00 0.00 175.22 174.88 1ibk s ALA 187 N -2.24 -2.01 1.00 11.12 0.00 -0.34 -4.76 121.76 124.53 1ibk s ALA 187 Ca 0.32 2.37 0.00 0.00 0.00 0.00 0.00 51.96 54.65 1ibk s ALA 187 Cb -0.07 -1.63 0.00 0.00 0.00 0.00 0.00 23.12 21.42 1ibk s ALA 187 CO 0.22 -0.66 0.00 -0.11 0.00 0.00 0.00 175.76 175.21 1ibk n LEU 188 N 4.86 0.00 0.00 0.00 -0.00 -1.26 0.45 117.00 121.05 1ibk n LEU 188 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.85 1ibk n LEU 188 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.96 1ibk n LEU 188 CO -0.03 -0.59 0.00 0.00 -0.00 0.00 0.00 177.39 176.77 1ibk n ALA 189 N -3.00 0.00 -1.20 1.96 0.00 -1.13 -4.52 120.51 112.61 1ibk n ALA 189 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 1ibk n ALA 189 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.49 1ibk n ALA 189 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ibk n ARG 190 N 0.00 0.12 0.00 0.00 1.74 -1.26 -3.49 116.66 113.77 1ibk n ARG 190 Ca 0.00 0.05 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 1ibk n ARG 190 Cb 0.00 -1.30 0.00 0.00 -1.02 0.00 0.00 32.46 30.14 1ibk n ARG 190 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1ibk n THR 191 N -2.03 0.00 0.00 0.55 -1.04 -1.24 -4.77 114.28 105.75 1ibk n THR 191 Ca 0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.08 1ibk n THR 191 Cb 0.50 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.01 1ibk n THR 191 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1ibk n THR 192 N 0.00 0.00 -1.82 12.58 -1.04 -1.26 -4.64 114.28 118.10 1ibk n THR 192 Ca 0.00 -0.32 0.05 0.00 -2.04 0.00 0.00 64.05 61.74 1ibk n THR 192 Cb 0.00 0.94 0.10 0.00 -1.82 0.00 0.00 70.33 69.54 1ibk n THR 192 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ibk n TYR 193 N -0.75 0.00 0.00 -1.42 0.18 -1.26 -5.12 117.16 108.79 1ibk n TYR 193 Ca 0.00 -0.78 0.00 0.00 1.88 0.00 0.00 57.90 59.00 1ibk n TYR 193 Cb 0.00 -0.16 0.00 0.00 -0.38 0.00 0.00 39.34 38.80 1ibk n TYR 193 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1ibk n GLY 194 N -0.49 2.48 3.78 -7.48 0.00 -1.26 -5.01 105.19 97.20 1ibk n GLY 194 Ca 0.11 -1.90 -0.37 0.00 0.00 0.00 0.00 46.02 43.86 1ibk n GLY 194 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ibk s VAL 195 N -2.87 3.34 -0.04 1.61 1.01 -1.26 -3.73 120.40 118.46 1ibk s VAL 195 Ca 0.00 1.00 0.00 0.00 0.00 0.00 0.00 61.98 62.98 1ibk s VAL 195 Cb 0.00 -3.51 0.03 0.00 0.00 0.00 0.00 36.38 32.90 1ibk s VAL 195 CO 0.00 -0.02 -0.01 -0.76 0.00 0.00 0.00 175.10 174.31 1ibk s LEU 196 N -2.93 1.01 0.08 3.92 1.43 -1.23 -4.81 118.68 116.16 1ibk s LEU 196 Ca 0.62 -0.06 -0.08 0.00 -1.03 0.00 0.00 54.13 53.57 1ibk s LEU 196 Cb -0.26 -0.33 -0.06 0.00 0.03 0.00 0.00 46.19 45.58 1ibk s LEU 196 CO 0.32 -0.12 0.38 -0.83 0.23 0.00 0.00 176.35 176.33 1ibk s GLY 197 N 1.29 2.31 -0.12 -3.19 0.00 -1.26 -2.86 107.32 103.49 1ibk s GLY 197 Ca -0.06 -0.43 0.03 0.00 0.00 0.00 0.00 44.72 44.25 1ibk s GLY 197 CO -0.02 -0.24 -0.20 0.14 0.00 0.00 0.00 173.10 172.78 1ibk s VAL 198 N -1.44 1.84 -0.08 1.40 1.01 0.17 -1.56 120.40 121.74 1ibk s VAL 198 Ca 0.34 -0.86 -0.00 0.00 0.00 0.00 0.00 61.98 61.46 1ibk s VAL 198 Cb -0.13 -1.63 -0.03 0.00 0.00 0.00 0.00 36.38 34.58 1ibk s VAL 198 CO 0.19 0.51 -0.04 -0.54 0.00 0.00 0.00 175.10 175.22 1ibk s LYS 199 N 0.76 2.85 -0.05 2.72 1.02 0.26 -1.20 119.74 126.11 1ibk s LYS 199 Ca -0.10 -0.49 0.01 0.00 0.02 0.00 0.00 55.97 55.42 1ibk s LYS 199 Cb -0.16 -2.68 0.02 0.00 -0.52 0.00 0.00 37.83 34.49 1ibk s LYS 199 CO 0.01 0.68 -0.07 0.00 -0.92 0.00 0.00 175.35 175.05 1ibk s ALA 200 N -0.83 0.82 -0.10 5.17 0.00 0.99 0.11 121.76 127.91 1ibk s ALA 200 Ca 0.13 -0.16 0.03 0.00 0.00 0.00 0.00 51.96 51.96 1ibk s ALA 200 Cb -0.11 -0.43 0.01 0.00 0.00 0.00 0.00 23.12 22.58 1ibk s ALA 200 CO 0.02 0.04 -0.18 0.71 0.00 0.00 0.00 175.76 176.35 1ibk s TYR 201 N 0.76 2.11 -0.19 0.00 1.51 0.12 -1.03 117.35 120.64 1ibk s TYR 201 Ca -0.12 -0.91 0.01 0.00 -1.01 0.00 0.00 57.07 55.04 1ibk s TYR 201 Cb -0.14 -1.47 0.04 0.00 -0.11 0.00 0.00 41.96 40.28 1ibk s TYR 201 CO 0.01 -0.42 -0.10 0.42 -1.11 0.00 0.00 175.55 174.35 1ibk s ILE 202 N 0.67 1.58 -0.09 2.71 1.01 -0.03 -0.14 121.20 126.91 1ibk s ILE 202 Ca -0.13 -0.93 -0.24 0.00 0.00 0.00 0.00 60.65 59.35 1ibk s ILE 202 Cb -0.16 -1.65 -0.03 0.00 0.01 0.00 0.00 42.46 40.63 1ibk s ILE 202 CO 0.03 0.20 0.76 0.12 0.00 0.00 0.00 174.94 176.05 1ibk s PHE 203 N 1.43 3.53 -0.08 3.97 5.36 0.11 -1.07 117.98 131.24 1ibk s PHE 203 Ca -0.00 1.28 -0.01 0.00 -0.96 0.00 0.00 56.93 57.24 1ibk s PHE 203 Cb -0.16 -2.89 0.03 0.00 -0.34 0.00 0.00 43.02 39.66 1ibk s PHE 203 CO -0.08 -0.02 -0.03 -0.51 -1.46 0.00 0.00 175.22 173.11 1ibk s LEU 204 N 1.24 0.87 0.00 6.12 1.43 -1.07 -0.99 118.68 126.28 1ibk s LEU 204 Ca 0.39 -0.15 0.00 0.00 -1.03 0.00 0.00 54.13 53.34 1ibk s LEU 204 Cb -0.18 -0.55 0.00 0.00 0.03 0.00 0.00 46.19 45.49 1ibk s LEU 204 CO 0.17 -0.15 0.00 0.61 0.23 0.00 0.00 176.35 177.21 1ibk n GLY 205 N 4.91 0.37 0.00 -3.19 0.00 -1.26 -4.54 105.19 101.49 1ibk n GLY 205 Ca -0.11 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.24 1ibk n GLY 205 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ibk n GLU 206 N 0.00 0.00 0.00 1.61 2.13 -1.21 -4.46 120.64 118.71 1ibk n GLU 206 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1ibk n GLU 206 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1ibk n GLU 206 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00