#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kdz n VAL 2 N 0.00 0.18 -2.73 3.15 0.24 -1.26 -5.02 118.33 112.89 2kdz n VAL 2 Ca 0.00 -0.17 0.12 0.00 -2.04 0.00 0.00 64.34 62.26 2kdz n VAL 2 Cb 0.00 0.06 -0.03 0.00 -1.47 0.00 0.00 33.84 32.40 2kdz n VAL 2 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2kdz n LYS 3 N -0.13 -1.84 -1.27 7.34 5.02 -1.26 -5.02 118.16 121.00 2kdz n LYS 3 Ca 0.04 1.21 0.16 0.00 -2.02 0.00 0.00 58.31 57.71 2kdz n LYS 3 Cb 0.12 -2.25 -0.06 0.00 -0.02 0.00 0.00 35.03 32.81 2kdz n LYS 3 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2kdz n PHE 4 N -3.41 -3.32 0.00 2.13 7.35 -1.26 -5.09 117.46 113.86 2kdz n PHE 4 Ca 0.01 1.76 0.00 0.00 -0.76 0.00 0.00 57.45 58.46 2kdz n PHE 4 Cb 0.42 -3.02 0.00 0.00 0.35 0.00 0.00 39.48 37.23 2kdz n PHE 4 CO 0.00 0.00 0.00 -2.37 -0.76 0.00 0.00 176.76 173.63 2kdz n THR 5 N -4.09 0.00 -0.32 -2.13 5.66 -1.26 -4.97 114.28 107.16 2kdz n THR 5 Ca -0.04 0.00 0.02 0.00 -3.05 0.00 0.00 64.05 60.97 2kdz n THR 5 Cb 0.59 0.00 0.20 0.00 -1.55 0.00 0.00 70.33 69.57 2kdz n THR 5 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 175.07 171.69 2kdz h GLU 6 N 0.00 1.11 -0.02 1.09 5.08 -2.00 -0.12 114.58 119.72 2kdz h GLU 6 Ca 0.00 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2kdz h GLU 6 Cb 0.00 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.00 2kdz h GLU 6 CO 0.00 0.73 0.04 0.93 -1.00 0.00 0.00 179.01 179.71 2kdz h GLU 7 N 1.14 0.00 0.06 2.33 5.08 -2.01 -1.80 114.58 119.38 2kdz h GLU 7 Ca 0.37 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.43 2kdz h GLU 7 Cb 0.05 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 2kdz h GLU 7 CO -0.12 0.00 -1.65 0.93 -1.00 0.00 0.00 179.01 177.17 2kdz h GLU 8 N 0.00 0.13 -0.54 2.33 4.39 -1.40 -3.26 114.58 116.23 2kdz h GLU 8 Ca 0.01 -0.22 0.05 0.00 0.34 0.00 0.00 59.36 59.53 2kdz h GLU 8 Cb 0.08 0.08 -0.05 0.00 -0.10 0.00 0.00 28.75 28.77 2kdz h GLU 8 CO -0.00 0.87 0.28 -0.44 -1.16 0.00 0.00 179.01 178.56 2kdz h ASP 9 N 0.04 0.41 -0.70 1.42 3.32 -1.00 0.37 116.42 120.27 2kdz h ASP 9 Ca -0.28 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 56.78 2kdz h ASP 9 Cb 2.00 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 41.47 2kdz h ASP 9 CO 0.11 0.28 0.37 -0.07 -1.72 0.00 0.00 179.24 178.21 2kdz h LEU 10 N 0.54 0.90 -0.69 1.55 3.38 -1.65 -2.46 115.31 116.87 2kdz h LEU 10 Ca 0.24 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 2kdz h LEU 10 Cb 0.14 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 2kdz h LEU 10 CO -0.16 0.75 0.27 0.11 0.09 0.00 0.00 178.44 179.50 2kdz h LYS 11 N 0.97 1.04 0.05 1.13 1.57 -1.36 -2.96 116.57 117.01 2kdz h LYS 11 Ca 0.25 -0.19 0.02 0.00 -1.87 0.00 0.00 60.65 58.85 2kdz h LYS 11 Cb 0.07 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.19 2kdz h LYS 11 CO -0.04 0.86 -0.16 -0.07 -0.57 0.00 0.00 179.45 179.48 2kdz h LEU 12 N 0.99 -0.46 -1.14 2.94 4.07 -0.56 0.31 115.31 121.46 2kdz h LEU 12 Ca 0.23 0.06 0.17 0.00 0.08 0.00 0.00 57.88 58.42 2kdz h LEU 12 Cb 0.22 0.18 -0.09 0.00 1.08 0.00 0.00 40.66 42.05 2kdz h LEU 12 CO -0.02 -0.23 0.61 -0.61 -1.08 0.00 0.00 178.44 177.11 2kdz h GLN 13 N -0.29 0.73 0.01 1.13 5.75 -1.37 0.31 115.11 121.38 2kdz h GLN 13 Ca 0.04 -0.04 -0.10 0.00 -0.15 0.00 0.00 58.65 58.40 2kdz h GLN 13 Cb 0.33 -0.16 0.01 0.00 1.07 0.00 0.00 27.48 28.73 2kdz h GLN 13 CO -0.12 0.48 -0.39 1.96 -2.65 0.00 0.00 178.83 178.11 2kdz h GLN 14 N 0.75 0.24 -0.11 1.69 1.08 -1.24 -3.01 115.11 114.52 2kdz h GLN 14 Ca 0.52 -0.28 -0.01 0.00 -1.45 0.00 0.00 58.65 57.43 2kdz h GLN 14 Cb 0.80 0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 28.31 2kdz h GLN 14 CO -0.28 1.01 0.03 -0.07 -0.95 0.00 0.00 178.83 178.56 2kdz h LEU 15 N -0.40 0.16 -1.53 1.46 4.07 0.22 -2.27 115.31 117.02 2kdz h LEU 15 Ca -0.05 -0.21 -0.02 0.00 0.08 0.00 0.00 57.88 57.68 2kdz h LEU 15 Cb 1.15 -0.04 -0.02 0.00 1.08 0.00 0.00 40.66 42.84 2kdz h LEU 15 CO 0.08 0.33 0.12 0.58 -1.08 0.00 0.00 178.44 178.47 2kdz h VAL 16 N -0.02 1.13 -0.10 1.22 2.07 -0.55 0.29 116.25 120.28 2kdz h VAL 16 Ca 0.03 -0.39 -0.12 0.00 0.82 0.00 0.00 66.70 67.05 2kdz h VAL 16 Cb 0.23 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 2kdz h VAL 16 CO -0.00 0.15 -0.45 -0.03 0.02 0.00 0.00 177.57 177.25 2kdz h MET 17 N 0.44 0.24 0.13 1.57 1.85 -1.36 0.15 114.93 117.94 2kdz h MET 17 Ca 0.11 -0.13 -0.34 0.00 -0.61 0.00 0.00 59.70 58.73 2kdz h MET 17 Cb 0.10 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.12 2kdz h MET 17 CO -0.01 0.65 -1.80 0.00 -0.40 0.00 0.00 176.91 175.36 2kdz h ARG 18 N 0.20 0.28 0.07 0.39 3.08 -0.70 -3.40 114.38 114.29 2kdz h ARG 18 Ca 0.01 -0.47 -0.30 0.00 0.07 0.00 0.00 59.98 59.29 2kdz h ARG 18 Cb 0.88 0.18 -0.02 0.00 0.08 0.00 0.00 29.97 31.09 2kdz h ARG 18 CO 0.07 1.15 -1.64 1.88 -1.07 0.00 0.00 179.97 180.37 2kdz h TYR 19 N 0.08 0.25 0.00 3.04 0.05 -0.50 -3.52 116.97 116.37 2kdz h TYR 19 Ca -0.35 -0.19 0.00 0.00 0.05 0.00 0.00 58.73 58.25 2kdz h TYR 19 Cb 2.05 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 39.78 2kdz h TYR 19 CO 0.07 1.64 0.00 0.41 -1.05 0.00 0.00 178.16 179.24 2kdz n GLY 20 N 1.71 0.44 1.72 3.88 0.00 0.51 -4.55 105.19 108.91 2kdz n GLY 20 Ca -0.32 -2.26 -0.07 0.00 0.00 0.00 0.00 46.02 43.37 2kdz n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kdz n ALA 21 N -1.00 4.51 0.00 4.61 0.00 -1.26 -4.41 120.51 122.95 2kdz n ALA 21 Ca 0.00 -2.61 0.00 0.00 0.00 0.00 0.00 53.44 50.83 2kdz n ALA 21 Cb 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.34 2kdz n ALA 21 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2kdz n LYS 22 N -0.59 0.00 -0.98 0.00 4.81 -1.26 -4.90 118.16 115.24 2kdz n LYS 22 Ca 0.40 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.73 2kdz n LYS 22 Cb 1.31 -0.47 -0.15 0.00 0.02 0.00 0.00 35.03 35.74 2kdz n LYS 22 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2kdz n ASP 23 N -0.64 5.29 0.28 3.14 2.03 -1.26 -4.37 116.55 121.01 2kdz n ASP 23 Ca 0.00 -2.50 0.17 0.00 0.52 0.00 0.00 54.79 52.98 2kdz n ASP 23 Cb 0.00 -1.39 0.70 0.00 -0.72 0.00 0.00 41.12 39.71 2kdz n ASP 23 CO 0.00 0.00 0.00 -0.50 -1.92 0.00 0.00 177.20 174.78 2kdz h TRP 24 N 2.85 0.00 -0.06 -0.67 4.06 -1.90 -2.41 115.95 117.82 2kdz h TRP 24 Ca 0.18 0.00 -0.08 0.00 2.06 0.00 0.00 58.89 61.06 2kdz h TRP 24 Cb 1.45 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.60 2kdz h TRP 24 CO 1.66 0.00 -0.32 -0.84 -3.56 0.00 0.00 178.44 175.38 2kdz h ILE 25 N 0.00 1.25 -0.11 1.49 3.07 -1.91 -1.65 117.51 119.66 2kdz h ILE 25 Ca 0.00 -1.20 -0.06 0.00 1.55 0.00 0.00 64.86 65.15 2kdz h ILE 25 Cb 0.49 1.57 -0.01 0.00 -0.27 0.00 0.00 36.82 38.60 2kdz h ILE 25 CO 0.00 0.35 -0.19 -0.09 -1.05 0.00 0.00 178.15 177.18 2kdz h ARG 26 N 0.10 0.17 0.00 0.16 9.65 -1.80 -1.66 114.38 121.01 2kdz h ARG 26 Ca 0.01 -0.04 -0.13 0.00 -1.10 0.00 0.00 59.98 58.72 2kdz h ARG 26 Cb 0.62 -0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 29.16 2kdz h ARG 26 CO 0.05 0.36 -0.62 0.82 2.80 0.00 0.00 179.97 183.38 2kdz h ILE 27 N 0.16 1.18 0.00 1.20 2.04 -1.42 -3.07 117.51 117.61 2kdz h ILE 27 Ca 0.03 -2.33 0.00 0.00 1.00 0.00 0.00 64.86 63.56 2kdz h ILE 27 Cb 0.43 2.36 0.00 0.00 -0.74 0.00 0.00 36.82 38.87 2kdz h ILE 27 CO 0.03 0.60 0.00 -1.20 0.00 0.00 0.00 178.15 177.58 2kdz n SER 28 N -3.43 0.54 -0.05 1.72 7.64 -0.63 -1.17 113.62 118.25 2kdz n SER 28 Ca 0.00 0.67 -0.06 0.00 1.01 0.00 0.00 58.87 60.49 2kdz n SER 28 Cb 0.71 -0.77 0.14 0.00 -1.01 0.00 0.00 64.21 63.28 2kdz n SER 28 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 2kdz h GLN 29 N 0.00 0.67 0.00 1.43 4.20 -1.49 -3.12 115.11 116.81 2kdz h GLN 29 Ca 0.00 -0.25 -0.28 0.00 0.06 0.00 0.00 58.65 58.18 2kdz h GLN 29 Cb 0.24 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 27.94 2kdz h GLN 29 CO 0.00 0.83 -1.57 1.28 -0.67 0.00 0.00 178.83 178.70 2kdz n LEU 30 N -4.13 1.89 -4.35 1.46 4.77 -0.86 -4.69 117.00 111.09 2kdz n LEU 30 Ca 0.00 0.41 -0.46 0.00 -0.03 0.00 0.00 56.01 55.93 2kdz n LEU 30 Cb 0.41 -0.91 -0.03 0.00 -2.33 0.00 0.00 43.42 40.56 2kdz n LEU 30 CO 0.43 0.29 0.44 -0.04 -1.33 0.00 0.00 177.39 177.18 2kdz s MET 31 N -2.41 3.41 0.00 3.23 -1.94 -0.32 -4.79 119.30 116.48 2kdz s MET 31 Ca -0.31 -2.09 0.17 0.00 -1.71 0.00 0.00 55.69 51.75 2kdz s MET 31 Cb 0.08 -4.44 -0.18 0.00 2.01 0.00 0.00 34.83 32.30 2kdz s MET 31 CO 0.53 -1.39 0.71 1.51 -0.01 0.00 0.00 175.02 176.37 2kdz n ILE 32 N 4.61 0.00 0.37 2.53 0.13 -1.18 -4.04 119.36 121.78 2kdz n ILE 32 Ca 0.07 -0.11 0.03 0.00 -1.10 0.00 0.00 62.75 61.64 2kdz n ILE 32 Cb 0.45 1.00 0.15 0.00 -0.84 0.00 0.00 39.64 40.40 2kdz n ILE 32 CO 0.00 0.00 0.00 0.41 2.80 0.00 0.00 176.55 179.76 2kdz n THR 33 N -1.39 0.98 -3.84 9.51 -1.04 -1.26 -4.83 114.28 112.41 2kdz n THR 33 Ca 0.03 -0.51 -0.12 0.00 -2.04 0.00 0.00 64.05 61.41 2kdz n THR 33 Cb 0.26 -0.35 -0.10 0.00 -1.82 0.00 0.00 70.33 68.32 2kdz n THR 33 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 2kdz s ARG 34 N -1.66 0.46 0.29 -2.82 3.52 -1.26 -5.07 118.95 112.41 2kdz s ARG 34 Ca 0.20 -0.22 -0.30 0.00 -0.13 0.00 0.00 55.73 55.29 2kdz s ARG 34 Cb 0.15 0.20 -0.11 0.00 -1.56 0.00 0.00 34.95 33.63 2kdz s ARG 34 CO 0.07 -0.11 1.49 -0.80 -0.81 0.00 0.00 175.30 175.14 2kdz s ASN 35 N -1.06 6.52 0.33 -2.12 0.01 -1.26 -4.89 114.94 112.46 2kdz s ASN 35 Ca -0.11 2.83 0.07 0.00 -0.71 0.00 0.00 52.86 54.93 2kdz s ASN 35 Cb -0.06 -2.64 0.75 0.00 0.41 0.00 0.00 41.25 39.71 2kdz s ASN 35 CO 0.02 -0.79 1.84 -0.65 -1.51 0.00 0.00 177.10 176.01 2kdz h PRO 36 N 4.47 0.75 0.00 -0.60 0.11 -1.92 0.15 132.00 134.96 2kdz h PRO 36 Ca -0.47 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.57 2kdz h PRO 36 Cb 1.22 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 2kdz h PRO 36 CO 0.75 0.50 -0.12 0.00 -0.21 0.00 0.00 178.00 178.91 2kdz h ARG 37 N 0.77 0.00 -0.16 1.05 3.08 -1.94 -2.77 114.38 114.42 2kdz h ARG 37 Ca 0.50 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.42 2kdz h ARG 37 Cb 0.74 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.78 2kdz h ARG 37 CO -0.26 0.12 -0.46 1.96 -1.07 0.00 0.00 179.97 180.26 2kdz h GLN 38 N 0.00 0.40 -0.23 0.04 1.08 -1.05 0.35 115.11 115.69 2kdz h GLN 38 Ca -0.00 -0.21 -0.09 0.00 -1.45 0.00 0.00 58.65 56.89 2kdz h GLN 38 Cb 0.60 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.03 2kdz h GLN 38 CO 0.02 0.78 -0.26 0.00 -0.95 0.00 0.00 178.83 178.42 2kdz h ARG 40 N 0.39 0.72 0.00 0.00 2.43 -1.30 -2.40 114.38 114.23 2kdz h ARG 40 Ca 0.06 -0.42 -0.04 0.00 -0.81 0.00 0.00 59.98 58.77 2kdz h ARG 40 Cb 0.66 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.24 2kdz h ARG 40 CO 0.05 1.04 -0.21 1.49 -1.51 0.00 0.00 179.97 180.83 2kdz h GLU 41 N 0.57 0.00 0.34 0.20 4.81 0.30 -0.46 114.58 120.33 2kdz h GLU 41 Ca 0.03 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 2kdz h GLU 41 Cb 1.04 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.42 2kdz h GLU 41 CO 0.10 0.21 -0.16 0.00 -0.73 0.00 0.00 179.01 178.43 2kdz h ARG 42 N 0.00 -0.44 -0.18 1.92 2.47 -0.66 -1.92 114.38 115.56 2kdz h ARG 42 Ca -0.00 0.03 0.04 0.00 -1.26 0.00 0.00 59.98 58.79 2kdz h ARG 42 Cb 0.42 0.10 -0.04 0.00 -1.65 0.00 0.00 29.97 28.80 2kdz h ARG 42 CO 0.03 -0.22 -0.06 2.35 0.56 0.00 0.00 179.97 182.63 2kdz h TRP 43 N -1.08 -0.12 0.00 3.04 2.91 -1.38 0.69 115.95 120.01 2kdz h TRP 43 Ca -0.05 0.02 -0.02 0.00 1.13 0.00 0.00 58.89 59.97 2kdz h TRP 43 Cb 0.42 0.08 -0.00 0.00 -0.51 0.00 0.00 29.16 29.15 2kdz h TRP 43 CO 0.02 -0.09 -0.10 -0.91 -1.03 0.00 0.00 178.44 176.32 2kdz h ASN 44 N -0.02 0.00 -0.19 2.65 4.21 -1.19 0.27 115.58 121.32 2kdz h ASN 44 Ca 0.09 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.60 2kdz h ASN 44 Cb 0.15 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.35 2kdz h ASN 44 CO -0.20 0.10 0.00 0.59 -1.29 0.00 0.00 177.43 176.64 2kdz n ASN 45 N -3.87 2.96 0.03 5.81 3.02 -0.72 -4.14 115.26 118.35 2kdz n ASN 45 Ca -0.02 -2.53 0.00 0.00 -0.03 0.00 0.00 54.58 52.00 2kdz n ASN 45 Cb 0.20 -0.33 0.00 0.00 -0.61 0.00 0.00 39.78 39.04 2kdz n ASN 45 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kdz n TYR 46 N -0.37 -0.63 0.25 3.10 4.19 0.18 -4.93 117.16 118.95 2kdz n TYR 46 Ca 0.13 0.11 0.09 0.00 3.31 0.00 0.00 57.90 61.55 2kdz n TYR 46 Cb 0.58 0.54 -0.14 0.00 0.49 0.00 0.00 39.34 40.82 2kdz n TYR 46 CO 0.00 0.00 0.00 -0.89 0.91 0.00 0.00 176.86 176.88 2kdz n ILE 47 N -2.72 0.00 0.00 2.97 5.41 -0.71 -4.60 119.36 119.71 2kdz n ILE 47 Ca 0.00 -0.33 -0.05 0.00 1.00 0.00 0.00 62.75 63.37 2kdz n ILE 47 Cb 0.00 0.34 -0.04 0.00 -0.71 0.00 0.00 39.64 39.23 2kdz n ILE 47 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 176.55 175.42 2kdz h ASN 48 N 0.00 -0.11 -4.16 4.38 -0.73 -0.71 -3.48 115.58 110.77 2kdz h ASN 48 Ca 0.00 -0.22 -0.08 0.00 1.87 0.00 0.00 56.30 57.87 2kdz h ASN 48 Cb 0.74 0.03 0.01 0.00 0.27 0.00 0.00 38.32 39.37 2kdz h ASN 48 CO 0.00 0.47 -0.00 -0.81 -0.37 0.00 0.00 177.43 176.72 2kdz n PRO 49 N -4.84 0.77 -3.32 6.67 -0.04 -1.26 -5.08 135.00 127.91 2kdz n PRO 49 Ca -0.04 -0.52 -0.26 0.00 -0.04 0.00 0.00 63.50 62.65 2kdz n PRO 49 Cb 0.16 -0.07 -0.08 0.00 -0.04 0.00 0.00 33.50 33.47 2kdz n PRO 49 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kdz n ALA 50 N -2.92 3.31 -1.70 0.55 0.00 -1.26 -4.81 120.51 113.69 2kdz n ALA 50 Ca -0.03 -4.14 -0.41 0.00 0.00 0.00 0.00 53.44 48.87 2kdz n ALA 50 Cb 0.10 -0.86 -0.03 0.00 0.00 0.00 0.00 19.45 18.66 2kdz n ALA 50 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2kdz n LEU 51 N 1.13 4.95 0.00 0.00 -0.00 -1.26 -4.77 117.00 117.05 2kdz n LEU 51 Ca 0.26 -3.50 0.00 0.00 -0.00 0.00 0.00 56.01 52.77 2kdz n LEU 51 Cb 0.46 -1.48 0.00 0.00 -0.00 0.00 0.00 43.42 42.40 2kdz n LEU 51 CO 0.30 -0.04 0.00 0.54 -0.00 0.00 0.00 177.39 178.19 2kdz n ARG 52 N 7.13 0.00 -3.76 1.47 1.74 -1.26 -4.97 116.66 117.01 2kdz n ARG 52 Ca 0.50 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 57.34 2kdz n ARG 52 Cb 0.42 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.81 2kdz n ARG 52 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2kdz n THR 53 N 0.00 -0.93 -0.56 0.55 -2.24 -1.26 -4.49 114.28 105.35 2kdz n THR 53 Ca 0.00 -0.34 0.02 0.00 -2.27 0.00 0.00 64.05 61.46 2kdz n THR 53 Cb 0.00 -0.86 -0.01 0.00 -2.10 0.00 0.00 70.33 67.36 2kdz n THR 53 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2kdz n ASP 54 N -1.59 -3.05 -1.45 3.42 8.00 -1.26 -5.02 116.55 115.61 2kdz n ASP 54 Ca -0.18 0.64 0.00 0.00 0.71 0.00 0.00 54.79 55.97 2kdz n ASP 54 Cb 0.43 -1.45 0.00 0.00 -0.02 0.00 0.00 41.12 40.08 2kdz n ASP 54 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2kdz n PRO 55 N -2.24 3.29 -3.20 -0.24 -0.04 -1.26 -5.04 135.00 126.27 2kdz n PRO 55 Ca -0.01 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.19 2kdz n PRO 55 Cb 0.20 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.65 2kdz n PRO 55 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 2kdz s TRP 56 N 0.00 3.51 0.58 0.54 1.48 -1.26 -5.10 118.94 118.69 2kdz s TRP 56 Ca 0.00 0.55 -0.01 0.00 -1.06 0.00 0.00 56.10 55.57 2kdz s TRP 56 Cb 0.00 -2.05 0.04 0.00 -1.16 0.00 0.00 33.47 30.29 2kdz s TRP 56 CO 0.00 0.05 0.83 -1.54 -4.06 0.00 0.00 176.95 172.23 2kdz s SER 57 N -3.78 5.21 0.44 -2.66 1.04 -1.26 -4.91 113.70 107.79 2kdz s SER 57 Ca 0.43 0.17 0.26 0.00 0.48 0.00 0.00 55.95 57.29 2kdz s SER 57 Cb -0.10 -1.02 1.42 0.00 0.10 0.00 0.00 66.02 66.41 2kdz s SER 57 CO 0.36 -1.22 1.78 -0.65 0.98 0.00 0.00 173.24 174.49 2kdz h PRO 58 N -0.09 0.00 -0.20 4.02 0.11 -1.99 -1.01 132.00 132.84 2kdz h PRO 58 Ca -0.43 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.58 2kdz h PRO 58 Cb 1.30 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.40 2kdz h PRO 58 CO 0.55 0.00 -0.26 0.93 -0.21 0.00 0.00 178.00 179.01 2kdz h GLU 59 N 0.00 0.54 -0.04 1.05 5.08 -1.99 -1.03 114.58 118.18 2kdz h GLU 59 Ca 0.00 -0.31 -0.18 0.00 -1.00 0.00 0.00 59.36 57.87 2kdz h GLU 59 Cb 0.20 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 2kdz h GLU 59 CO 0.00 0.90 -0.76 0.93 -1.00 0.00 0.00 179.01 179.08 2kdz h GLU 60 N 0.21 0.29 -0.60 2.33 3.07 -1.60 -2.54 114.58 115.74 2kdz h GLU 60 Ca 0.02 -0.25 -0.00 0.00 -0.50 0.00 0.00 59.36 58.63 2kdz h GLU 60 Cb 0.83 0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 28.77 2kdz h GLU 60 CO 0.06 0.92 0.36 0.22 -1.40 0.00 0.00 179.01 179.17 2kdz h ASP 61 N 0.19 0.71 0.07 1.42 3.58 -1.20 0.63 116.42 121.82 2kdz h ASP 61 Ca -0.03 -0.06 -0.17 0.00 0.42 0.00 0.00 57.03 57.19 2kdz h ASP 61 Cb 1.34 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 42.21 2kdz h ASP 61 CO 0.12 0.56 -0.59 0.24 -2.88 0.00 0.00 179.24 176.70 2kdz h MET 62 N 0.81 0.52 -0.12 0.28 2.86 -1.16 -1.61 114.93 116.51 2kdz h MET 62 Ca 0.21 -0.35 -0.16 0.00 -2.06 0.00 0.00 59.70 57.35 2kdz h MET 62 Cb -0.02 0.05 0.01 0.00 0.06 0.00 0.00 31.60 31.69 2kdz h MET 62 CO -0.04 0.96 -0.54 1.25 1.06 0.00 0.00 176.91 179.60 2kdz h LEU 63 N 0.39 0.69 -0.91 1.22 5.85 -1.12 -3.16 115.31 118.27 2kdz h LEU 63 Ca -0.00 -0.63 -0.02 0.00 0.84 0.00 0.00 57.88 58.07 2kdz h LEU 63 Cb 1.14 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.92 2kdz h LEU 63 CO 0.11 1.20 0.48 0.25 -0.34 0.00 0.00 178.44 180.14 2kdz h LEU 64 N 0.21 1.12 -1.02 2.25 6.46 0.27 -1.78 115.31 122.82 2kdz h LEU 64 Ca -0.03 -0.10 0.12 0.00 -0.12 0.00 0.00 57.88 57.74 2kdz h LEU 64 Cb 1.18 -0.29 -0.08 0.00 -0.73 0.00 0.00 40.66 40.74 2kdz h LEU 64 CO 0.11 0.91 0.63 -0.78 -0.62 0.00 0.00 178.44 178.69 2kdz h ASP 65 N 1.25 0.92 0.04 1.25 1.82 -1.28 0.41 116.42 120.83 2kdz h ASP 65 Ca 0.31 0.05 -0.00 0.00 -0.39 0.00 0.00 57.03 57.00 2kdz h ASP 65 Cb 0.04 -0.14 0.00 0.00 0.68 0.00 0.00 39.33 39.91 2kdz h ASP 65 CO -0.05 0.49 -0.02 -0.61 -1.61 0.00 0.00 179.24 177.45 2kdz h GLN 66 N 0.99 -0.05 0.00 0.28 4.15 -1.36 -3.14 115.11 115.98 2kdz h GLN 66 Ca 0.49 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.90 2kdz h GLN 66 Cb 0.49 0.01 -0.00 0.00 0.21 0.00 0.00 27.48 28.19 2kdz h GLN 66 CO -0.26 0.48 -0.07 0.87 -1.93 0.00 0.00 178.83 177.92 2kdz h LYS 67 N -0.60 0.00 0.00 1.69 1.79 -0.82 -1.31 116.57 117.32 2kdz h LYS 67 Ca -0.01 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.40 2kdz h LYS 67 Cb 0.55 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.19 2kdz h LYS 67 CO 0.01 0.07 -0.32 -0.92 -1.08 0.00 0.00 179.45 177.21 2kdz h TYR 68 N 0.00 0.00 -0.19 -1.35 3.20 -0.17 0.25 116.97 118.71 2kdz h TYR 68 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2kdz h TYR 68 Cb 0.32 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.59 2kdz h TYR 68 CO 0.00 0.32 0.00 0.00 -1.64 0.00 0.00 178.16 176.84 2kdz n ALA 69 N -2.24 2.45 -0.03 1.82 0.00 -0.53 -2.74 120.51 119.23 2kdz n ALA 69 Ca 0.00 -0.82 -0.08 0.00 0.00 0.00 0.00 53.44 52.54 2kdz n ALA 69 Cb 0.51 -0.85 -0.03 0.00 0.00 0.00 0.00 19.45 19.08 2kdz n ALA 69 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2kdz n GLU 70 N 1.38 0.22 -0.05 0.00 -0.58 -0.97 -4.79 120.64 115.86 2kdz n GLU 70 Ca 0.16 0.09 -0.12 0.00 -0.42 0.00 0.00 57.16 56.88 2kdz n GLU 70 Cb 0.60 -0.88 -0.14 0.00 -0.57 0.00 0.00 31.44 30.45 2kdz n GLU 70 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 2kdz n TYR 71 N -3.64 0.68 0.00 -0.32 4.02 0.85 -5.09 117.16 113.67 2kdz n TYR 71 Ca -0.15 0.21 0.00 0.00 -0.01 0.00 0.00 57.90 57.95 2kdz n TYR 71 Cb 0.47 -1.11 0.00 0.00 -0.02 0.00 0.00 39.34 38.68 2kdz n TYR 71 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2kdz n GLY 72 N 1.76 -1.59 1.44 2.72 0.00 -1.10 -4.49 105.19 103.93 2kdz n GLY 72 Ca -0.27 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 43.70 2kdz n GLY 72 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2kdz n PRO 73 N 0.00 0.87 -2.02 1.61 -0.04 -1.26 -4.50 135.00 129.66 2kdz n PRO 73 Ca 0.00 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.05 2kdz n PRO 73 Cb 0.00 -1.06 -0.00 0.00 -0.04 0.00 0.00 33.50 32.39 2kdz n PRO 73 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2kdz n LYS 74 N 1.35 4.32 -0.18 0.54 5.02 -1.26 -4.75 118.16 123.20 2kdz n LYS 74 Ca 0.00 -3.39 0.29 0.00 -2.02 0.00 0.00 58.31 53.20 2kdz n LYS 74 Cb 0.44 -2.71 0.71 0.00 -0.02 0.00 0.00 35.03 33.45 2kdz n LYS 74 CO 0.00 0.00 0.00 -1.49 -0.52 0.00 0.00 177.40 175.39 2kdz h TRP 75 N 4.88 0.00 -0.97 2.13 4.06 -1.95 0.15 115.95 124.25 2kdz h TRP 75 Ca 0.65 0.00 0.12 0.00 2.06 0.00 0.00 58.89 61.72 2kdz h TRP 75 Cb 0.37 0.00 -0.09 0.00 -1.00 0.00 0.00 29.16 28.45 2kdz h TRP 75 CO 1.55 0.00 0.60 -0.97 -3.56 0.00 0.00 178.44 176.05 2kdz h ASN 76 N 0.00 0.86 0.43 -3.49 -0.73 -1.95 0.63 115.58 111.32 2kdz h ASN 76 Ca 0.43 0.05 -0.31 0.00 1.87 0.00 0.00 56.30 58.35 2kdz h ASN 76 Cb 1.94 -0.12 0.00 0.00 0.27 0.00 0.00 38.32 40.42 2kdz h ASN 76 CO -0.00 0.45 -1.51 0.11 -0.37 0.00 0.00 177.43 176.10 2kdz h LYS 77 N 0.93 0.30 -0.72 6.67 6.56 -1.13 -3.31 116.57 125.87 2kdz h LYS 77 Ca 0.49 -0.51 0.05 0.00 -1.06 0.00 0.00 60.65 59.61 2kdz h LYS 77 Cb 0.51 0.19 -0.05 0.00 -0.57 0.00 0.00 32.23 32.31 2kdz h LYS 77 CO -0.28 1.19 0.43 0.82 -2.06 0.00 0.00 179.45 179.56 2kdz h ILE 78 N 0.08 1.04 0.00 1.86 1.08 -0.87 -0.41 117.51 120.30 2kdz h ILE 78 Ca -0.24 -0.28 -0.01 0.00 -0.39 0.00 0.00 64.86 63.93 2kdz h ILE 78 Cb 2.04 0.15 -0.00 0.00 -3.07 0.00 0.00 36.82 35.93 2kdz h ILE 78 CO 0.18 0.15 -0.07 0.77 -0.69 0.00 0.00 178.15 178.49 2kdz h SER 79 N 0.82 0.00 0.95 1.72 4.64 -1.03 -0.03 113.55 120.62 2kdz h SER 79 Ca 0.31 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.41 2kdz h SER 79 Cb 0.10 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.16 2kdz h SER 79 CO -0.15 0.07 -1.08 0.11 -0.87 0.00 0.00 176.83 174.91 2kdz h LYS 80 N 0.00 0.00 0.06 4.77 1.57 -1.19 -3.29 116.57 118.50 2kdz h LYS 80 Ca -0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2kdz h LYS 80 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.68 2kdz h LYS 80 CO 0.01 0.91 -0.03 0.74 -0.57 0.00 0.00 179.45 180.51 2kdz h PHE 81 N 0.00 -0.08 -3.06 -1.35 0.04 -0.65 -3.40 116.94 108.44 2kdz h PHE 81 Ca -0.05 -0.00 -0.73 0.00 2.80 0.00 0.00 57.97 59.99 2kdz h PHE 81 Cb 1.79 0.03 -0.21 0.00 2.20 0.00 0.00 35.95 39.75 2kdz h PHE 81 CO 0.00 0.13 0.39 -0.51 -0.60 0.00 0.00 178.31 177.72 2kdz s LEU 82 N -8.60 5.78 -0.77 1.54 2.01 -0.09 -4.98 118.68 113.57 2kdz s LEU 82 Ca -0.05 -2.15 -0.26 0.00 0.01 0.00 0.00 54.13 51.68 2kdz s LEU 82 Cb -0.00 -2.30 -0.08 0.00 0.01 0.00 0.00 46.19 43.81 2kdz s LEU 82 CO 0.17 -0.89 2.19 -0.75 1.01 0.00 0.00 176.35 178.09 2kdz s LYS 83 N 1.72 2.10 0.00 1.70 2.20 -1.24 -4.23 119.74 121.99 2kdz s LYS 83 Ca 0.22 0.37 0.00 0.00 -0.36 0.00 0.00 55.97 56.20 2kdz s LYS 83 Cb -0.11 -4.80 0.00 0.00 -1.51 0.00 0.00 37.83 31.40 2kdz s LYS 83 CO -0.06 -3.74 0.00 -1.71 -0.36 0.00 0.00 175.35 169.48 2kdz n ASN 84 N 16.07 0.00 -4.93 1.43 2.85 -1.26 -5.13 115.26 124.29 2kdz n ASN 84 Ca 0.40 0.00 -0.20 0.00 -0.11 0.00 0.00 54.58 54.68 2kdz n ASN 84 Cb 0.47 0.34 -0.02 0.00 1.24 0.00 0.00 39.78 41.81 2kdz n ASN 84 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 2kdz s ARG 85 N -0.74 2.77 0.51 1.20 1.81 -1.26 -4.58 118.95 118.66 2kdz s ARG 85 Ca 0.00 -1.30 0.06 0.00 -1.72 0.00 0.00 55.73 52.77 2kdz s ARG 85 Cb 0.00 -2.59 0.06 0.00 -0.45 0.00 0.00 34.95 31.97 2kdz s ARG 85 CO 0.00 -0.09 0.48 -1.13 -0.68 0.00 0.00 175.30 173.87 2kdz n SER 86 N -1.60 2.41 0.00 0.23 3.41 -1.26 -4.60 113.62 112.21 2kdz n SER 86 Ca 0.03 -2.63 0.00 0.00 -0.26 0.00 0.00 58.87 56.00 2kdz n SER 86 Cb 0.60 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 2kdz n SER 86 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2kdz n ASP 87 N -2.00 0.00 -0.04 4.04 5.68 -1.26 -0.32 116.55 122.65 2kdz n ASP 87 Ca 0.03 0.29 0.23 0.00 -0.50 0.00 0.00 54.79 54.84 2kdz n ASP 87 Cb 0.56 0.00 0.72 0.00 -1.14 0.00 0.00 41.12 41.26 2kdz n ASP 87 CO 0.00 0.00 0.00 0.78 -1.33 0.00 0.00 177.20 176.65 2kdz h ASN 88 N 0.00 0.00 -0.13 -1.12 4.21 -1.98 0.41 115.58 116.98 2kdz h ASN 88 Ca 0.00 0.00 -0.05 0.00 1.21 0.00 0.00 56.30 57.46 2kdz h ASN 88 Cb 0.00 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.20 2kdz h ASN 88 CO 0.00 0.00 -0.11 -1.13 -1.29 0.00 0.00 177.43 174.90 2kdz h ASN 89 N 0.00 0.32 -0.37 5.81 -0.73 -1.91 -0.97 115.58 117.73 2kdz h ASN 89 Ca 0.30 -0.47 -0.09 0.00 1.87 0.00 0.00 56.30 57.90 2kdz h ASN 89 Cb 1.26 -0.09 -0.01 0.00 0.27 0.00 0.00 38.32 39.75 2kdz h ASN 89 CO -0.00 0.72 -0.13 0.40 -0.37 0.00 0.00 177.43 178.05 2kdz h ILE 90 N -0.08 1.28 -0.27 2.57 2.04 0.59 -1.44 117.51 122.20 2kdz h ILE 90 Ca 0.02 -1.23 0.04 0.00 1.00 0.00 0.00 64.86 64.69 2kdz h ILE 90 Cb 0.63 1.30 -0.04 0.00 -0.74 0.00 0.00 36.82 37.98 2kdz h ILE 90 CO 0.03 0.41 0.06 -0.09 0.00 0.00 0.00 178.15 178.55 2kdz h ARG 91 N 0.54 0.16 -0.27 2.37 9.65 -0.98 0.59 114.38 126.44 2kdz h ARG 91 Ca 0.09 -0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 58.95 2kdz h ARG 91 Cb 0.66 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.19 2kdz h ARG 91 CO 0.04 0.10 0.15 -0.91 2.80 0.00 0.00 179.97 182.16 2kdz h ASN 92 N 0.16 0.33 -0.71 -3.80 4.21 -1.11 -2.36 115.58 112.30 2kdz h ASN 92 Ca 0.13 -0.08 -0.07 0.00 1.21 0.00 0.00 56.30 57.48 2kdz h ASN 92 Cb 0.13 -0.09 -0.03 0.00 -1.12 0.00 0.00 38.32 37.21 2kdz h ASN 92 CO -0.16 0.32 0.18 -0.09 -1.29 0.00 0.00 177.43 176.39 2kdz h ARG 93 N 0.32 1.14 -0.24 0.81 9.65 -0.76 -1.60 114.38 123.70 2kdz h ARG 93 Ca 0.09 -0.27 -0.00 0.00 -1.10 0.00 0.00 59.98 58.70 2kdz h ARG 93 Cb 0.06 -0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 28.48 2kdz h ARG 93 CO -0.02 1.00 0.14 2.35 2.80 0.00 0.00 179.97 186.25 2kdz h TRP 94 N 1.08 0.33 -0.11 2.20 2.91 0.32 0.45 115.95 123.14 2kdz h TRP 94 Ca 0.23 -0.00 -0.06 0.00 1.13 0.00 0.00 58.89 60.18 2kdz h TRP 94 Cb 0.37 -0.11 -0.01 0.00 -0.51 0.00 0.00 29.16 28.90 2kdz h TRP 94 CO 0.03 0.26 -0.22 1.98 -1.03 0.00 0.00 178.44 179.46 2kdz h MET 95 N 0.29 0.19 0.00 2.65 4.05 -1.32 0.89 114.93 121.69 2kdz h MET 95 Ca 0.09 -0.05 -0.00 0.00 -0.28 0.00 0.00 59.70 59.45 2kdz h MET 95 Cb 0.04 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 30.82 2kdz h MET 95 CO -0.02 0.41 -0.00 1.98 0.23 0.00 0.00 176.91 179.51 2kdz h MET 96 N 0.17 -0.00 -0.03 0.39 1.85 -0.74 -3.19 114.93 113.38 2kdz h MET 96 Ca 0.03 0.00 -0.11 0.00 -0.61 0.00 0.00 59.70 59.01 2kdz h MET 96 Cb 0.49 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.51 2kdz h MET 96 CO 0.03 0.70 -0.49 0.97 -0.40 0.00 0.00 176.91 177.73 2kdz h ILE 97 N -0.72 1.35 -0.80 1.77 6.09 0.00 -2.98 117.51 122.23 2kdz h ILE 97 Ca -0.00 -1.68 -0.03 0.00 -1.37 0.00 0.00 64.86 61.78 2kdz h ILE 97 Cb 0.71 1.88 -0.04 0.00 0.47 0.00 0.00 36.82 39.84 2kdz h ILE 97 CO 0.00 0.49 0.40 0.00 -3.07 0.00 0.00 178.15 175.96 2kdz h ALA 98 N 1.46 1.19 0.00 0.18 0.00 -0.91 0.19 119.26 121.37 2kdz h ALA 98 Ca -0.00 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 2kdz h ALA 98 Cb 0.88 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2kdz h ALA 98 CO 0.07 0.62 -0.17 -0.09 0.00 0.00 0.00 179.25 179.68 2kdz h ARG 99 N 1.13 0.00 0.05 0.00 2.43 -1.51 0.11 114.38 116.59 2kdz h ARG 99 Ca 0.28 0.00 -0.28 0.00 -0.81 0.00 0.00 59.98 59.16 2kdz h ARG 99 Cb 0.09 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.61 2kdz h ARG 99 CO -0.04 0.17 -1.50 1.25 -1.51 0.00 0.00 179.97 178.34 2kdz h HIS 100 N 0.00 0.20 -0.14 2.20 2.76 -1.24 -3.28 115.15 115.65 2kdz h HIS 100 Ca -0.00 -0.14 -0.19 0.00 -2.20 0.00 0.00 60.37 57.84 2kdz h HIS 100 Cb 0.39 -0.01 -0.00 0.00 1.55 0.00 0.00 27.41 29.34 2kdz h HIS 100 CO 0.00 1.19 -0.68 -0.09 -1.30 0.00 0.00 177.93 177.05 2kdz h ARG 101 N 0.03 0.56 0.00 5.26 9.65 -0.01 -2.91 114.38 126.95 2kdz h ARG 101 Ca -0.22 -0.42 0.00 0.00 -1.10 0.00 0.00 59.98 58.24 2kdz h ARG 101 Cb 1.96 0.08 0.00 0.00 -1.39 0.00 0.00 29.97 30.62 2kdz h ARG 101 CO 0.12 1.04 0.00 0.00 2.80 0.00 0.00 179.97 183.94 2kdz n ALA 102 N -2.54 2.58 -0.66 2.80 0.00 0.31 -4.99 120.51 118.02 2kdz n ALA 102 Ca -0.05 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.23 2kdz n ALA 102 Cb 0.68 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.71 2kdz n ALA 102 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2kdz n LYS 103 N -0.93 0.00 -3.59 0.00 4.76 -1.10 -4.80 118.16 112.49 2kdz n LYS 103 Ca 0.19 0.00 -0.02 0.00 -2.87 0.00 0.00 58.31 55.61 2kdz n LYS 103 Cb 0.09 0.00 -0.05 0.00 -1.84 0.00 0.00 35.03 33.22 2kdz n LYS 103 CO 0.00 0.00 0.00 -3.38 -1.37 0.00 0.00 177.40 172.65 2kdz s HIS 104 N 0.00 -0.94 0.36 2.13 -3.43 -1.26 -4.79 115.29 107.36 2kdz s HIS 104 Ca 0.00 1.74 -0.22 0.00 -0.80 0.00 0.00 55.06 55.77 2kdz s HIS 104 Cb 0.00 0.56 -0.10 0.00 -1.43 0.00 0.00 32.58 31.61 2kdz s HIS 104 CO 0.00 -0.47 0.91 -0.65 -2.00 0.00 0.00 174.74 172.54 2kdz s GLN 105 N 2.09 4.36 0.00 -0.38 -0.21 -1.26 -4.87 119.66 119.39 2kdz s GLN 105 Ca -0.07 1.15 0.00 0.00 0.02 0.00 0.00 55.36 56.46 2kdz s GLN 105 Cb -0.07 -2.51 0.00 0.00 1.00 0.00 0.00 33.01 31.43 2kdz s GLN 105 CO -0.18 0.15 0.00 1.17 -2.12 0.00 0.00 175.29 174.31 2kdz n LYS 106 N -0.02 0.00 0.00 2.91 4.81 -1.26 -5.33 118.16 119.27 2kdz n LYS 106 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.48 2kdz n LYS 106 Cb 0.52 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.57 2kdz n LYS 106 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00