#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 1.01 -0.71 3.15 0.24 -1.26 -4.99 118.33 115.77 2kdz n VAL 2 Ca 0.00 0.33 0.00 0.00 -2.04 0.00 0.00 64.34 62.63 2kdz n VAL 2 Cb 0.00 -1.23 0.00 0.00 -1.47 0.00 0.00 33.84 31.14 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 -1.98 -2.03 -0.07 7.34 4.76 -1.26 -5.01 118.16 119.91 2kdz n LYS 3 Ca 0.02 1.51 0.01 0.00 -2.87 0.00 0.00 58.31 56.98 2kdz n LYS 3 Cb 0.17 -1.70 -0.00 0.00 -1.84 0.00 0.00 35.03 31.66 2kdz n LYS 3 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2kdz n PHE 4 N -0.87 -1.91 0.00 2.13 7.35 -1.26 -5.05 117.46 117.84 2kdz n PHE 4 Ca 0.00 0.09 0.00 0.00 -0.76 0.00 0.00 57.45 56.78 2kdz n PHE 4 Cb 0.00 0.06 0.00 0.00 0.35 0.00 0.00 39.48 39.89 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 -1.76 0.00 -0.28 -2.13 5.66 -1.26 -4.98 114.28 109.53 2kdz n THR 5 Ca 0.00 0.00 -0.05 0.00 -3.05 0.00 0.00 64.05 60.95 2kdz n THR 5 Cb 0.03 0.00 0.07 0.00 -1.55 0.00 0.00 70.33 68.88 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 1.02 -0.64 1.09 5.08 -2.00 -1.69 114.58 117.45 2kdz h GLU 6 Ca 0.00 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.22 2kdz h GLU 6 Cb 0.00 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.00 2kdz h GLU 6 CO 0.00 0.69 0.15 0.93 -1.00 0.00 0.00 179.01 179.78 2kdz h GLU 7 N 1.04 1.03 -0.15 2.33 4.39 -2.01 -2.85 114.58 118.37 2kdz h GLU 7 Ca 0.28 -0.25 -0.11 0.00 0.34 0.00 0.00 59.36 59.61 2kdz h GLU 7 Cb -0.09 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.42 2kdz h GLU 7 CO -0.06 0.94 -0.39 0.93 -1.16 0.00 0.00 179.01 179.27 2kdz h GLU 8 N 0.95 0.32 -0.72 2.33 4.39 -1.87 -2.78 114.58 117.21 2kdz h GLU 8 Ca 0.20 -0.15 -0.06 0.00 0.34 0.00 0.00 59.36 59.69 2kdz h GLU 8 Cb 0.37 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.99 2kdz h GLU 8 CO 0.00 0.67 0.23 0.22 -1.16 0.00 0.00 179.01 178.98 2kdz h ASP 9 N 0.27 1.04 -0.58 1.42 1.82 -1.09 -0.01 116.42 119.29 2kdz h ASP 9 Ca 0.03 -0.19 -0.05 0.00 -0.39 0.00 0.00 57.03 56.43 2kdz h ASP 9 Cb 0.82 -0.27 -0.03 0.00 0.68 0.00 0.00 39.33 40.53 2kdz h ASP 9 CO 0.06 0.96 0.17 -0.07 -1.61 0.00 0.00 179.24 178.75 2kdz h LEU 10 N 1.07 0.88 -0.80 2.28 3.38 -1.31 -2.17 115.31 118.64 2kdz h LEU 10 Ca 0.23 -0.16 -0.12 0.00 0.09 0.00 0.00 57.88 57.92 2kdz h LEU 10 Cb 0.29 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 2kdz h LEU 10 CO -0.01 0.85 -0.58 0.11 0.09 0.00 0.00 178.44 178.89 2kdz h LYS 11 N 0.91 0.00 -0.23 1.13 1.57 -1.14 -3.23 116.57 115.58 2kdz h LYS 11 Ca 0.20 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 59.02 2kdz h LYS 11 Cb 0.30 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 2kdz h LYS 11 CO -0.00 0.58 0.01 1.25 -0.57 0.00 0.00 179.45 180.72 2kdz h LEU 12 N 0.00 -0.06 -1.80 2.94 5.85 -0.34 0.25 115.31 122.15 2kdz h LEU 12 Ca -0.01 0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.79 2kdz h LEU 12 Cb 1.06 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.15 2kdz h LEU 12 CO 0.08 -0.00 0.19 -0.61 -0.34 0.00 0.00 178.44 177.76 2kdz h GLN 13 N 0.09 0.25 -0.04 1.25 5.75 -1.56 0.42 115.11 121.26 2kdz h GLN 13 Ca 0.11 -0.02 -0.15 0.00 -0.15 0.00 0.00 58.65 58.44 2kdz h GLN 13 Cb 0.13 -0.06 0.01 0.00 1.07 0.00 0.00 27.48 28.63 2kdz h GLN 13 CO -0.17 0.17 -0.58 1.96 -2.65 0.00 0.00 178.83 177.56 2kdz h GLN 14 N 0.26 0.47 -0.38 1.69 1.08 -1.29 -2.54 115.11 114.41 2kdz h GLN 14 Ca 0.12 -0.45 -0.06 0.00 -1.45 0.00 0.00 58.65 56.81 2kdz h GLN 14 Cb 0.15 0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.68 2kdz h GLN 14 CO -0.02 1.09 -0.01 -0.07 -0.95 0.00 0.00 178.83 178.87 2kdz h LEU 15 N 0.01 0.66 -1.05 1.46 4.07 0.22 -2.90 115.31 117.78 2kdz h LEU 15 Ca -0.06 -0.31 0.04 0.00 0.08 0.00 0.00 57.88 57.62 2kdz h LEU 15 Cb 1.26 -0.18 -0.06 0.00 1.08 0.00 0.00 40.66 42.76 2kdz h LEU 15 CO 0.12 0.81 0.64 0.58 -1.08 0.00 0.00 178.44 179.51 2kdz h VAL 16 N 0.49 1.16 -0.27 1.22 2.07 -0.26 0.15 116.25 120.81 2kdz h VAL 16 Ca 0.11 -0.42 0.08 0.00 0.82 0.00 0.00 66.70 67.28 2kdz h VAL 16 Cb 0.48 -0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.07 2kdz h VAL 16 CO 0.02 0.22 0.21 -0.03 0.02 0.00 0.00 177.57 178.02 2kdz h MET 17 N 1.22 0.00 0.00 1.57 1.85 -1.24 0.50 114.93 118.83 2kdz h MET 17 Ca 0.39 0.00 -0.20 0.00 -0.61 0.00 0.00 59.70 59.28 2kdz h MET 17 Cb 0.02 0.00 -0.04 0.00 0.43 0.00 0.00 31.60 32.01 2kdz h MET 17 CO -0.12 0.00 -2.13 0.54 -0.40 0.00 0.00 176.91 174.80 2kdz n ARG 18 N -4.26 0.82 -0.06 0.39 1.74 -0.34 -4.61 116.66 110.34 2kdz n ARG 18 Ca 0.04 -0.08 -0.12 0.00 -0.77 0.00 0.00 57.85 56.91 2kdz n ARG 18 Cb 0.37 -1.48 -0.14 0.00 -1.02 0.00 0.00 32.46 30.19 2kdz n ARG 18 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2kdz n TYR 19 N -2.49 0.52 0.00 -1.55 4.01 0.38 -5.09 117.16 112.94 2kdz n TYR 19 Ca -0.19 0.16 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 2kdz n TYR 19 Cb 0.87 -1.09 0.00 0.00 -0.31 0.00 0.00 39.34 38.81 2kdz n TYR 19 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2kdz n GLY 20 N 1.79 0.90 0.49 2.72 0.00 0.17 -4.18 105.19 107.08 2kdz n GLY 20 Ca -0.29 -1.59 0.03 0.00 0.00 0.00 0.00 46.02 44.17 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 0.92 2.19 0.00 4.61 0.00 -1.26 -4.74 120.51 122.23 2kdz n ALA 21 Ca 0.00 -1.70 0.00 0.00 0.00 0.00 0.00 53.44 51.74 2kdz n ALA 21 Cb 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 19.45 18.96 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 -0.39 0.00 -1.58 0.00 4.81 -1.26 -4.90 118.16 114.83 2kdz n LYS 22 Ca 0.06 0.00 -0.41 0.00 -0.87 0.00 0.00 58.31 57.09 2kdz n LYS 22 Cb 0.73 -0.57 -0.01 0.00 0.02 0.00 0.00 35.03 35.20 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 -2.22 6.47 -0.01 3.14 -0.08 -1.26 -4.53 116.55 118.07 2kdz n ASP 23 Ca 0.00 -2.75 0.14 0.00 -1.51 0.00 0.00 54.79 50.67 2kdz n ASP 23 Cb 0.23 -1.59 0.61 0.00 2.34 0.00 0.00 41.12 42.72 2kdz n ASP 23 CO 0.00 0.00 0.00 0.79 0.12 0.00 0.00 177.20 178.11 2kdz n TRP 24 N 4.56 0.00 0.13 -0.67 7.02 -1.26 -3.31 117.44 123.90 2kdz n TRP 24 Ca 0.65 0.00 -0.01 0.00 -1.02 0.00 0.00 57.50 57.11 2kdz n TRP 24 Cb 0.31 -0.38 0.14 0.00 -2.42 0.00 0.00 31.31 28.96 2kdz n TRP 24 CO 0.00 0.00 0.00 0.82 -2.02 0.00 0.00 177.69 176.49 2kdz h ILE 25 N 0.07 1.40 0.00 -0.99 2.04 -1.91 -2.59 117.51 115.53 2kdz h ILE 25 Ca 0.00 -2.26 -0.05 0.00 1.00 0.00 0.00 64.86 63.55 2kdz h ILE 25 Cb 0.43 2.24 -0.01 0.00 -0.74 0.00 0.00 36.82 38.74 2kdz h ILE 25 CO 0.00 0.63 -0.24 -0.09 0.00 0.00 0.00 178.15 178.46 2kdz h ARG 26 N 0.00 0.00 0.07 2.37 9.65 -1.94 -2.20 114.38 122.32 2kdz h ARG 26 Ca -0.01 0.00 -0.26 0.00 -1.10 0.00 0.00 59.98 58.61 2kdz h ARG 26 Cb 1.19 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 29.78 2kdz h ARG 26 CO 0.08 0.24 -1.11 0.82 2.80 0.00 0.00 179.97 182.80 2kdz h ILE 27 N 0.00 1.38 0.00 1.20 2.04 -1.65 -3.06 117.51 117.42 2kdz h ILE 27 Ca -0.00 -2.59 0.00 0.00 1.00 0.00 0.00 64.86 63.27 2kdz h ILE 27 Cb 0.55 2.62 0.00 0.00 -0.74 0.00 0.00 36.82 39.25 2kdz h ILE 27 CO 0.03 0.77 0.04 0.28 0.00 0.00 0.00 178.15 179.27 2kdz h SER 28 N 0.21 0.00 0.37 1.72 0.02 -1.07 0.60 113.55 115.41 2kdz h SER 28 Ca -0.13 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.73 2kdz h SER 28 Cb 1.78 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.30 2kdz h SER 28 CO 0.20 0.00 -0.41 1.56 -1.14 0.00 0.00 176.83 177.04 2kdz h GLN 29 N 0.00 0.05 0.02 3.45 4.20 -1.41 -2.78 115.11 118.64 2kdz h GLN 29 Ca 0.00 -0.02 -0.24 0.00 0.06 0.00 0.00 58.65 58.45 2kdz h GLN 29 Cb 0.07 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.82 2kdz h GLN 29 CO 0.00 0.45 -1.32 -0.07 -0.67 0.00 0.00 178.83 177.22 2kdz h LEU 30 N 0.04 0.07 -7.87 1.46 3.38 -1.09 -3.43 115.31 107.87 2kdz h LEU 30 Ca 0.00 -0.60 -0.70 0.00 0.09 0.00 0.00 57.88 56.68 2kdz h LEU 30 Cb 0.74 -0.02 -0.34 0.00 0.09 0.00 0.00 40.66 41.13 2kdz h LEU 30 CO 0.05 1.53 -0.56 -0.32 0.09 0.00 0.00 178.44 179.24 2kdz s MET 31 N -2.39 2.10 0.00 1.13 1.75 -0.61 -4.90 119.30 116.37 2kdz s MET 31 Ca -0.27 -1.73 0.17 0.00 -1.25 0.00 0.00 55.69 52.61 2kdz s MET 31 Cb 0.06 -3.56 -0.01 0.00 2.84 0.00 0.00 34.83 34.16 2kdz s MET 31 CO 0.63 -1.01 0.90 1.51 -0.65 0.00 0.00 175.02 176.39 2kdz n ILE 32 N 4.62 0.00 0.47 10.11 3.06 -1.05 -4.06 119.36 132.51 2kdz n ILE 32 Ca -0.04 -0.32 0.05 0.00 -2.50 0.00 0.00 62.75 59.95 2kdz n ILE 32 Cb 0.42 1.20 0.19 0.00 0.54 0.00 0.00 39.64 41.99 2kdz n ILE 32 CO 0.00 0.00 0.00 0.35 -2.50 0.00 0.00 176.55 174.40 2kdz n THR 33 N -0.13 0.88 -4.04 9.51 -2.24 -1.26 -4.87 114.28 112.13 2kdz n THR 33 Ca 0.07 -0.61 -0.10 0.00 -2.27 0.00 0.00 64.05 61.15 2kdz n THR 33 Cb 0.36 0.02 -0.11 0.00 -2.10 0.00 0.00 70.33 68.50 2kdz n THR 33 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2kdz s ARG 34 N -1.65 0.48 0.05 -0.78 1.70 -1.26 -5.08 118.95 112.41 2kdz s ARG 34 Ca 0.27 -0.86 -0.30 0.00 -0.47 0.00 0.00 55.73 54.37 2kdz s ARG 34 Cb 0.17 0.02 -0.08 0.00 -0.57 0.00 0.00 34.95 34.48 2kdz s ARG 34 CO 0.14 -0.04 1.68 1.21 -1.08 0.00 0.00 175.30 177.21 2kdz s ASN 35 N -1.99 6.60 0.25 -2.89 3.84 -1.26 -4.91 114.94 114.58 2kdz s ASN 35 Ca -0.06 2.46 -0.04 0.00 0.21 0.00 0.00 52.86 55.43 2kdz s ASN 35 Cb -0.04 -2.56 0.48 0.00 -0.55 0.00 0.00 41.25 38.58 2kdz s ASN 35 CO -0.03 -0.90 1.72 -0.65 -2.79 0.00 0.00 177.10 174.44 2kdz h PRO 36 N 8.66 0.39 0.00 0.43 0.11 -1.92 0.54 132.00 140.21 2kdz h PRO 36 Ca -0.43 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.63 2kdz h PRO 36 Cb 1.20 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 2kdz h PRO 36 CO 0.93 0.26 -0.14 -0.09 -0.21 0.00 0.00 178.00 178.75 2kdz h ARG 37 N 0.40 0.00 0.00 1.05 2.43 -1.92 -1.76 114.38 114.58 2kdz h ARG 37 Ca 0.43 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.60 2kdz h ARG 37 Cb 0.68 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.23 2kdz h ARG 37 CO -0.44 0.14 -0.00 1.96 -1.51 0.00 0.00 179.97 180.12 2kdz h GLN 38 N 0.00 0.00 -0.06 0.20 1.08 -1.26 -0.19 115.11 114.88 2kdz h GLN 38 Ca -0.00 0.00 -0.16 0.00 -1.45 0.00 0.00 58.65 57.03 2kdz h GLN 38 Cb 0.38 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.80 2kdz h GLN 38 CO 0.02 0.00 -0.68 0.00 -0.95 0.00 0.00 178.83 177.22 2kdz h ARG 40 N 0.19 0.40 0.00 0.00 2.43 -1.21 -2.68 114.38 113.51 2kdz h ARG 40 Ca -0.02 -0.28 -0.01 0.00 -0.81 0.00 0.00 59.98 58.87 2kdz h ARG 40 Cb 1.23 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.82 2kdz h ARG 40 CO 0.11 0.89 -0.03 1.49 -1.51 0.00 0.00 179.97 180.92 2kdz h GLU 41 N -0.03 0.00 0.33 0.20 4.81 -1.01 0.13 114.58 119.00 2kdz h GLU 41 Ca -0.00 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 2kdz h GLU 41 Cb 0.90 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.29 2kdz h GLU 41 CO 0.06 0.03 -0.16 -0.09 -0.73 0.00 0.00 179.01 178.13 2kdz h ARG 42 N 0.00 -0.43 -0.55 1.92 9.65 -0.95 -2.86 114.38 121.16 2kdz h ARG 42 Ca -0.00 0.03 -0.09 0.00 -1.10 0.00 0.00 59.98 58.82 2kdz h ARG 42 Cb 0.09 0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 28.75 2kdz h ARG 42 CO 0.00 -0.28 -0.01 2.35 2.80 0.00 0.00 179.97 184.83 2kdz h TRP 43 N -0.86 1.03 0.00 2.20 2.91 -1.31 -2.16 115.95 117.76 2kdz h TRP 43 Ca -0.05 -0.17 -0.02 0.00 1.13 0.00 0.00 58.89 59.79 2kdz h TRP 43 Cb 0.34 -0.27 -0.00 0.00 -0.51 0.00 0.00 29.16 28.71 2kdz h TRP 43 CO 0.03 0.93 -0.08 -0.97 -1.03 0.00 0.00 178.44 177.32 2kdz h ASN 44 N 0.87 0.00 -0.22 2.65 -1.24 -0.88 0.65 115.58 117.41 2kdz h ASN 44 Ca 0.16 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.17 2kdz h ASN 44 Cb 0.53 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.58 2kdz h ASN 44 CO 0.03 0.08 0.00 0.59 -1.29 0.00 0.00 177.43 176.84 2kdz n ASN 45 N -3.34 2.74 0.00 1.15 3.02 -1.06 -4.18 115.26 113.59 2kdz n ASN 45 Ca -0.01 -2.19 0.00 0.00 -0.03 0.00 0.00 54.58 52.35 2kdz n ASN 45 Cb 0.26 -0.21 0.00 0.00 -0.61 0.00 0.00 39.78 39.21 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 -0.01 -0.08 0.43 3.10 9.36 -0.84 -4.87 117.16 124.25 2kdz n TYR 46 Ca 0.10 0.00 0.10 0.00 3.32 0.00 0.00 57.90 61.42 2kdz n TYR 46 Cb 0.44 0.11 -0.14 0.00 -0.63 0.00 0.00 39.34 39.13 2kdz n TYR 46 CO 0.00 0.00 0.00 -0.89 0.22 0.00 0.00 176.86 176.19 2kdz n ILE 47 N -1.73 0.00 -0.07 2.97 5.41 0.01 -4.60 119.36 121.36 2kdz n ILE 47 Ca 0.00 -0.27 -0.05 0.00 1.00 0.00 0.00 62.75 63.44 2kdz n ILE 47 Cb 0.00 0.48 -0.02 0.00 -0.71 0.00 0.00 39.64 39.39 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 0.00 -1.96 4.38 -1.24 -1.21 -3.49 115.58 112.06 2kdz h ASN 48 Ca 0.00 -0.04 -0.47 0.00 0.71 0.00 0.00 56.30 56.49 2kdz h ASN 48 Cb 0.72 0.00 0.08 0.00 0.73 0.00 0.00 38.32 39.85 2kdz h ASN 48 CO 0.00 0.74 0.10 -2.16 -1.29 0.00 0.00 177.43 174.82 2kdz s PRO 49 N -2.10 1.65 -0.40 6.67 0.04 -1.26 -5.08 135.00 134.52 2kdz s PRO 49 Ca -0.12 -1.21 0.01 0.00 0.04 0.00 0.00 61.00 59.73 2kdz s PRO 49 Cb 0.02 -2.35 0.12 0.00 0.04 0.00 0.00 34.50 32.33 2kdz s PRO 49 CO 0.20 -1.47 0.18 0.00 0.04 0.00 0.00 177.00 175.95 2kdz s ALA 50 N -3.13 2.08 -1.15 8.56 0.00 -1.26 -4.70 121.76 122.16 2kdz s ALA 50 Ca 0.67 -2.35 -0.09 0.00 0.00 0.00 0.00 51.96 50.19 2kdz s ALA 50 Cb -0.05 -1.83 0.25 0.00 0.00 0.00 0.00 23.12 21.49 2kdz s ALA 50 CO 0.44 -1.92 1.38 1.47 0.00 0.00 0.00 175.76 177.14 2kdz n LEU 51 N 3.97 5.85 0.00 0.00 -0.00 -1.26 -4.50 117.00 121.07 2kdz n LEU 51 Ca 0.05 -4.92 0.00 0.00 -0.00 0.00 0.00 56.01 51.14 2kdz n LEU 51 Cb 0.37 -1.45 0.00 0.00 -0.00 0.00 0.00 43.42 42.34 2kdz n LEU 51 CO 0.21 1.32 -0.31 -2.11 -0.00 0.00 0.00 177.39 176.50 2kdz n ARG 52 N 3.06 0.89 -0.46 1.47 1.85 -1.26 -4.83 116.66 117.39 2kdz n ARG 52 Ca 0.29 0.00 -0.05 0.00 -1.00 0.00 0.00 57.85 57.09 2kdz n ARG 52 Cb 0.38 -0.81 -0.07 0.00 -1.05 0.00 0.00 32.46 30.91 2kdz n ARG 52 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 2kdz n THR 53 N -1.87 1.43 -1.47 8.89 -1.04 -1.26 -4.90 114.28 114.05 2kdz n THR 53 Ca 0.00 -0.65 0.19 0.00 -2.04 0.00 0.00 64.05 61.55 2kdz n THR 53 Cb 0.31 -1.64 -0.06 0.00 -1.82 0.00 0.00 70.33 67.12 2kdz n THR 53 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2kdz n ASP 54 N 2.51 -8.79 -4.05 8.00 8.00 -1.26 -4.88 116.55 116.06 2kdz n ASP 54 Ca 0.17 0.82 -0.30 0.00 0.71 0.00 0.00 54.79 56.20 2kdz n ASP 54 Cb 0.42 -4.61 0.20 0.00 -0.02 0.00 0.00 41.12 37.12 2kdz n ASP 54 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 2kdz s PRO 55 N -2.78 -0.11 0.68 -0.24 0.04 -1.26 -5.00 135.00 126.32 2kdz s PRO 55 Ca 0.00 -0.20 -0.17 0.00 0.04 0.00 0.00 61.00 60.67 2kdz s PRO 55 Cb 0.00 -1.74 -0.01 0.00 0.04 0.00 0.00 34.50 32.80 2kdz s PRO 55 CO 0.00 -2.95 1.09 -2.67 0.04 0.00 0.00 177.00 172.51 2kdz n TRP 56 N -4.19 1.17 -1.92 0.56 4.27 -1.26 -5.00 117.44 111.07 2kdz n TRP 56 Ca 0.14 0.41 -0.29 0.00 -3.89 0.00 0.00 57.50 53.86 2kdz n TRP 56 Cb 0.59 -2.16 0.06 0.00 -1.36 0.00 0.00 31.31 28.45 2kdz n TRP 56 CO 0.00 0.00 0.00 -1.12 -2.29 0.00 0.00 177.69 174.28 2kdz s SER 57 N -1.50 5.06 0.63 -0.67 0.01 -1.26 -4.82 113.70 111.14 2kdz s SER 57 Ca 0.77 0.95 0.31 0.00 1.31 0.00 0.00 55.95 59.30 2kdz s SER 57 Cb -0.37 -1.63 1.70 0.00 0.21 0.00 0.00 66.02 65.93 2kdz s SER 57 CO 0.46 -1.56 2.02 -0.65 0.41 0.00 0.00 173.24 173.91 2kdz h PRO 58 N -0.80 0.00 -0.35 12.44 0.11 -1.99 0.28 132.00 141.70 2kdz h PRO 58 Ca -0.45 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.52 2kdz h PRO 58 Cb 1.29 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.39 2kdz h PRO 58 CO 0.64 0.00 -0.32 0.93 -0.21 0.00 0.00 178.00 179.05 2kdz h GLU 59 N 0.00 0.83 -0.04 1.05 5.08 -2.00 -2.12 114.58 117.39 2kdz h GLU 59 Ca 0.07 -0.43 -0.17 0.00 -1.00 0.00 0.00 59.36 57.83 2kdz h GLU 59 Cb 0.65 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 2kdz h GLU 59 CO -0.00 1.07 -0.75 0.93 -1.00 0.00 0.00 179.01 179.26 2kdz h GLU 60 N 0.62 0.23 -0.61 2.33 3.07 -1.34 -2.50 114.58 116.40 2kdz h GLU 60 Ca 0.06 -0.20 0.01 0.00 -0.50 0.00 0.00 59.36 58.72 2kdz h GLU 60 Cb 0.90 0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 28.83 2kdz h GLU 60 CO 0.08 0.88 0.40 0.22 -1.40 0.00 0.00 179.01 179.18 2kdz h ASP 61 N 0.15 0.70 -0.34 1.42 1.82 -1.13 0.59 116.42 119.63 2kdz h ASP 61 Ca -0.03 -0.02 -0.15 0.00 -0.39 0.00 0.00 57.03 56.44 2kdz h ASP 61 Cb 1.32 -0.17 -0.01 0.00 0.68 0.00 0.00 39.33 41.14 2kdz h ASP 61 CO 0.12 0.51 -0.34 0.24 -1.61 0.00 0.00 179.24 178.16 2kdz h MET 62 N 0.82 0.88 -0.19 0.28 2.86 -1.32 -1.96 114.93 116.29 2kdz h MET 62 Ca 0.22 -0.43 -0.15 0.00 -2.06 0.00 0.00 59.70 57.28 2kdz h MET 62 Cb -0.09 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.57 2kdz h MET 62 CO -0.05 1.08 -0.47 1.25 1.06 0.00 0.00 176.91 179.78 2kdz h LEU 63 N 0.73 0.75 -0.93 1.22 5.85 -1.09 -3.13 115.31 118.72 2kdz h LEU 63 Ca 0.07 -0.57 -0.01 0.00 0.84 0.00 0.00 57.88 58.21 2kdz h LEU 63 Cb 0.91 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.67 2kdz h LEU 63 CO 0.08 1.18 0.54 0.25 -0.34 0.00 0.00 178.44 180.16 2kdz h LEU 64 N 0.35 1.14 -1.03 2.25 6.46 0.21 -1.85 115.31 122.84 2kdz h LEU 64 Ca -0.00 -0.08 0.09 0.00 -0.12 0.00 0.00 57.88 57.76 2kdz h LEU 64 Cb 1.08 -0.29 -0.07 0.00 -0.73 0.00 0.00 40.66 40.65 2kdz h LEU 64 CO 0.10 0.89 0.64 -0.78 -0.62 0.00 0.00 178.44 178.67 2kdz h ASP 65 N 1.29 0.98 -0.30 1.25 3.58 -1.34 0.37 116.42 122.25 2kdz h ASP 65 Ca 0.33 0.02 -0.10 0.00 0.42 0.00 0.00 57.03 57.71 2kdz h ASP 65 Cb -0.02 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 40.84 2kdz h ASP 65 CO -0.06 0.59 -0.20 -0.61 -2.88 0.00 0.00 179.24 176.08 2kdz h GLN 66 N 1.09 0.67 0.00 0.28 4.15 -1.31 -1.90 115.11 118.09 2kdz h GLN 66 Ca 0.45 -0.32 -0.04 0.00 0.77 0.00 0.00 58.65 59.51 2kdz h GLN 66 Cb 0.30 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.98 2kdz h GLN 66 CO -0.20 0.92 -0.21 0.87 -1.93 0.00 0.00 178.83 178.27 2kdz h LYS 67 N 0.42 0.00 -0.01 1.69 1.79 -0.66 -2.49 116.57 117.31 2kdz h LYS 67 Ca 0.06 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.36 2kdz h LYS 67 Cb 0.75 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.38 2kdz h LYS 67 CO 0.06 0.21 -0.79 -0.92 -1.08 0.00 0.00 179.45 176.93 2kdz h TYR 68 N 0.00 0.17 -0.57 -1.35 3.20 -0.05 -1.72 116.97 116.65 2kdz h TYR 68 Ca -0.00 -0.09 -0.09 0.00 3.14 0.00 0.00 58.73 61.69 2kdz h TYR 68 Cb 0.71 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.94 2kdz h TYR 68 CO 0.00 0.85 -0.01 0.00 -1.64 0.00 0.00 178.16 177.37 2kdz h ALA 69 N 1.12 0.77 -3.00 1.82 0.00 -0.90 -3.24 119.26 115.84 2kdz h ALA 69 Ca -0.02 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2kdz h ALA 69 Cb 1.38 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2kdz h ALA 69 CO 0.11 0.61 0.00 0.39 0.00 0.00 0.00 179.25 180.36 2kdz n GLU 70 N -4.22 0.00 0.00 0.00 -0.58 -1.10 -4.75 120.64 109.99 2kdz n GLU 70 Ca 0.02 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.76 2kdz n GLU 70 Cb 0.34 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.21 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 0.00 0.00 0.00 -0.32 4.02 -1.06 -4.86 117.16 114.94 2kdz n TYR 71 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 2kdz n TYR 71 Cb 0.00 -0.26 0.00 0.00 -0.02 0.00 0.00 39.34 39.06 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 -0.55 -0.50 1.40 2.72 0.00 -0.67 -4.61 105.19 102.98 2kdz n GLY 72 Ca 0.00 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 43.93 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 0.86 -1.56 1.61 -0.04 -1.26 -4.51 135.00 130.10 2kdz n PRO 73 Ca 0.00 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.06 2kdz n PRO 73 Cb 0.00 -1.07 -0.02 0.00 -0.04 0.00 0.00 33.50 32.37 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 1.27 3.67 -0.35 0.54 5.02 -1.26 -4.74 118.16 122.31 2kdz n LYS 74 Ca 0.00 -2.56 0.26 0.00 -2.02 0.00 0.00 58.31 53.98 2kdz n LYS 74 Cb 0.43 -2.88 0.51 0.00 -0.02 0.00 0.00 35.03 33.07 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 5.18 0.80 0.00 2.13 -0.00 -1.94 0.60 115.95 122.72 2kdz h TRP 75 Ca 0.76 0.03 0.00 0.00 -0.00 0.00 0.00 58.89 59.68 2kdz h TRP 75 Cb 0.38 -0.22 0.00 0.00 -0.00 0.00 0.00 29.16 29.32 2kdz h TRP 75 CO 1.72 -0.11 0.00 -0.97 -0.00 0.00 0.00 178.44 179.08 2kdz h ASN 76 N 0.31 0.00 0.00 -3.49 -0.73 -1.93 -1.72 115.58 108.03 2kdz h ASN 76 Ca 0.72 0.00 -0.39 0.00 1.87 0.00 0.00 56.30 58.50 2kdz h ASN 76 Cb 1.78 0.00 -0.07 0.00 0.27 0.00 0.00 38.32 40.30 2kdz h ASN 76 CO -0.49 0.00 -2.44 0.29 -0.37 0.00 0.00 177.43 174.42 2kdz n LYS 77 N -2.63 0.62 0.25 6.67 4.01 0.18 -4.41 118.16 122.85 2kdz n LYS 77 Ca 0.01 0.16 0.11 0.00 -0.51 0.00 0.00 58.31 58.08 2kdz n LYS 77 Cb 0.23 -1.49 0.64 0.00 -0.51 0.00 0.00 35.03 33.90 2kdz n LYS 77 CO 0.00 0.00 0.00 0.82 -1.11 0.00 0.00 177.40 177.11 2kdz h ILE 78 N -0.13 0.60 0.00 -0.18 1.08 -0.74 -2.20 117.51 115.94 2kdz h ILE 78 Ca -0.58 -0.71 0.00 0.00 -0.39 0.00 0.00 64.86 63.18 2kdz h ILE 78 Cb 1.83 1.46 0.00 0.00 -3.07 0.00 0.00 36.82 37.04 2kdz h ILE 78 CO -0.13 0.16 0.00 -1.54 -0.69 0.00 0.00 178.15 175.95 2kdz n SER 79 N -3.61 0.12 0.11 1.72 3.41 -0.65 -1.92 113.62 112.80 2kdz n SER 79 Ca -0.01 0.54 -0.02 0.00 -0.26 0.00 0.00 58.87 59.11 2kdz n SER 79 Cb 0.29 -0.56 0.03 0.00 -0.26 0.00 0.00 64.21 63.71 2kdz n SER 79 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2kdz h LYS 80 N 0.00 0.00 0.00 4.33 6.56 -1.65 -3.17 116.57 122.65 2kdz h LYS 80 Ca 0.00 0.00 -0.07 0.00 -1.06 0.00 0.00 60.65 59.52 2kdz h LYS 80 Cb 0.17 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.82 2kdz h LYS 80 CO 0.00 0.73 -0.86 0.74 -2.06 0.00 0.00 179.45 178.00 2kdz h PHE 81 N 0.00 0.00 -3.40 -1.35 0.04 -1.57 -3.40 116.94 107.27 2kdz h PHE 81 Ca -0.01 0.00 -0.71 0.00 2.80 0.00 0.00 57.97 60.06 2kdz h PHE 81 Cb 1.45 0.00 -0.35 0.00 2.20 0.00 0.00 35.95 39.25 2kdz h PHE 81 CO 0.00 0.29 -0.15 -0.51 -0.60 0.00 0.00 178.31 177.34 2kdz s LEU 82 N -5.86 5.53 -0.96 1.54 2.01 -1.19 -5.01 118.68 114.73 2kdz s LEU 82 Ca 0.01 -3.48 -0.25 0.00 0.01 0.00 0.00 54.13 50.42 2kdz s LEU 82 Cb 0.08 -1.91 -0.12 0.00 0.01 0.00 0.00 46.19 44.25 2kdz s LEU 82 CO 0.77 -0.24 2.13 -0.75 1.01 0.00 0.00 176.35 179.26 2kdz s LYS 83 N -0.99 1.94 0.00 1.70 2.20 -1.26 -1.74 119.74 121.60 2kdz s LYS 83 Ca 0.25 -0.25 0.00 0.00 -0.36 0.00 0.00 55.97 55.61 2kdz s LYS 83 Cb -0.10 -4.99 0.00 0.00 -1.51 0.00 0.00 37.83 31.22 2kdz s LYS 83 CO -0.10 -4.30 0.00 -1.71 -0.36 0.00 0.00 175.35 168.88 2kdz n ASN 84 N 16.79 0.00 -4.68 1.43 2.85 -1.26 -5.13 115.26 125.26 2kdz n ASN 84 Ca 0.43 0.00 -0.42 0.00 -0.11 0.00 0.00 54.58 54.49 2kdz n ASN 84 Cb 0.46 0.00 -0.04 0.00 1.24 0.00 0.00 39.78 41.44 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 0.00 4.37 0.47 1.20 1.81 -0.71 -4.46 118.95 121.64 2kdz s ARG 85 Ca 0.00 1.14 0.08 0.00 -1.72 0.00 0.00 55.73 55.23 2kdz s ARG 85 Cb 0.00 -3.54 0.03 0.00 -0.45 0.00 0.00 34.95 30.99 2kdz s ARG 85 CO 0.00 -0.25 0.55 -1.54 -0.68 0.00 0.00 175.30 173.39 2kdz s SER 86 N 1.08 5.22 0.00 0.23 1.04 -1.26 -4.59 113.70 115.41 2kdz s SER 86 Ca 0.42 -0.73 0.00 0.00 0.48 0.00 0.00 55.95 56.13 2kdz s SER 86 Cb -0.18 -0.25 0.00 0.00 0.10 0.00 0.00 66.02 65.69 2kdz s SER 86 CO 0.16 -0.93 0.97 -0.90 0.98 0.00 0.00 173.24 173.53 2kdz n ASP 87 N -1.86 0.00 0.29 7.02 5.75 -1.26 -0.70 116.55 125.79 2kdz n ASP 87 Ca 0.08 0.97 0.15 0.00 -0.01 0.00 0.00 54.79 55.98 2kdz n ASP 87 Cb 0.61 -0.47 0.90 0.00 -1.03 0.00 0.00 41.12 41.13 2kdz n ASP 87 CO 0.00 0.00 0.00 -1.13 -0.11 0.00 0.00 177.20 175.96 2kdz h ASN 88 N 0.00 0.00 0.07 -1.12 -1.24 -1.96 0.58 115.58 111.91 2kdz h ASN 88 Ca 0.00 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.01 2kdz h ASN 88 Cb 0.00 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.05 2kdz h ASN 88 CO 0.00 0.00 -0.03 -1.13 -1.29 0.00 0.00 177.43 174.98 2kdz h ASN 89 N 0.00 -0.07 -0.23 1.15 -0.73 -1.81 -2.68 115.58 111.21 2kdz h ASN 89 Ca 0.01 -0.43 -0.13 0.00 1.87 0.00 0.00 56.30 57.62 2kdz h ASN 89 Cb 0.05 0.02 -0.01 0.00 0.27 0.00 0.00 38.32 38.65 2kdz h ASN 89 CO -0.00 0.41 -0.32 0.40 -0.37 0.00 0.00 177.43 177.55 2kdz h ILE 90 N -0.59 1.28 -0.07 2.57 2.04 -0.43 -1.59 117.51 120.72 2kdz h ILE 90 Ca -0.01 -1.46 0.04 0.00 1.00 0.00 0.00 64.86 64.42 2kdz h ILE 90 Cb 0.50 1.36 -0.04 0.00 -0.74 0.00 0.00 36.82 37.90 2kdz h ILE 90 CO 0.01 0.48 -0.18 -0.09 0.00 0.00 0.00 178.15 178.37 2kdz h ARG 91 N 0.62 -0.25 -0.36 2.37 2.43 -0.94 0.61 114.38 118.87 2kdz h ARG 91 Ca 0.07 0.02 -0.15 0.00 -0.81 0.00 0.00 59.98 59.11 2kdz h ARG 91 Cb 0.85 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.44 2kdz h ARG 91 CO 0.07 -0.16 -0.37 -0.91 -1.51 0.00 0.00 179.97 177.09 2kdz h ASN 92 N -0.26 0.90 -0.70 -3.80 4.21 -1.47 -3.12 115.58 111.35 2kdz h ASN 92 Ca 0.08 -0.40 -0.07 0.00 1.21 0.00 0.00 56.30 57.13 2kdz h ASN 92 Cb 0.37 -0.25 -0.03 0.00 -1.12 0.00 0.00 38.32 37.29 2kdz h ASN 92 CO -0.22 1.16 0.18 -0.09 -1.29 0.00 0.00 177.43 177.17 2kdz h ARG 93 N 0.70 1.12 -0.50 0.81 9.65 -0.78 -1.64 114.38 123.74 2kdz h ARG 93 Ca 0.06 -0.27 0.01 0.00 -1.10 0.00 0.00 59.98 58.69 2kdz h ARG 93 Cb 0.93 -0.15 -0.03 0.00 -1.39 0.00 0.00 29.97 29.33 2kdz h ARG 93 CO 0.09 0.99 0.31 2.35 2.80 0.00 0.00 179.97 186.50 2kdz h TRP 94 N 1.06 0.59 -0.52 2.20 2.91 0.25 0.38 115.95 122.82 2kdz h TRP 94 Ca 0.22 0.02 -0.12 0.00 1.13 0.00 0.00 58.89 60.14 2kdz h TRP 94 Cb 0.36 -0.19 -0.02 0.00 -0.51 0.00 0.00 29.16 28.80 2kdz h TRP 94 CO 0.03 0.35 -0.15 1.98 -1.03 0.00 0.00 178.44 179.62 2kdz h MET 95 N 0.63 1.01 -0.01 2.65 4.05 -1.47 -1.20 114.93 120.59 2kdz h MET 95 Ca 0.19 -0.39 -0.00 0.00 -0.28 0.00 0.00 59.70 59.22 2kdz h MET 95 Cb -0.03 -0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 30.72 2kdz h MET 95 CO -0.07 1.08 -0.00 1.98 0.23 0.00 0.00 176.91 180.13 2kdz h MET 96 N 0.89 0.02 -0.21 0.39 1.85 -0.85 -2.77 114.93 114.26 2kdz h MET 96 Ca 0.13 -0.01 -0.07 0.00 -0.61 0.00 0.00 59.70 59.14 2kdz h MET 96 Cb 0.72 -0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.73 2kdz h MET 96 CO 0.06 0.40 -0.20 0.97 -0.40 0.00 0.00 176.91 177.74 2kdz h ILE 97 N -0.36 1.23 -0.51 1.77 6.09 -0.25 -2.73 117.51 122.76 2kdz h ILE 97 Ca 0.00 -1.08 -0.08 0.00 -1.37 0.00 0.00 64.86 62.34 2kdz h ILE 97 Cb 0.39 1.30 -0.02 0.00 0.47 0.00 0.00 36.82 38.96 2kdz h ILE 97 CO 0.00 0.34 0.01 0.00 -3.07 0.00 0.00 178.15 175.43 2kdz h ALA 98 N 1.47 1.07 0.00 0.18 0.00 -1.20 -0.01 119.26 120.77 2kdz h ALA 98 Ca 0.06 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 2kdz h ALA 98 Cb 0.54 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2kdz h ALA 98 CO 0.04 0.59 -0.23 -0.09 0.00 0.00 0.00 179.25 179.56 2kdz h ARG 99 N 0.78 0.00 0.00 0.00 2.43 -1.18 0.25 114.38 116.66 2kdz h ARG 99 Ca 0.15 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.31 2kdz h ARG 99 Cb 0.46 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.00 2kdz h ARG 99 CO 0.02 0.23 -0.93 1.25 -1.51 0.00 0.00 179.97 179.03 2kdz h HIS 100 N 0.00 0.00 0.06 2.20 2.76 -1.34 -3.35 115.15 115.48 2kdz h HIS 100 Ca -0.00 0.00 -0.30 0.00 -2.20 0.00 0.00 60.37 57.87 2kdz h HIS 100 Cb 0.44 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.38 2kdz h HIS 100 CO 0.00 0.05 -1.58 -0.09 -1.30 0.00 0.00 177.93 175.01 2kdz h ARG 101 N 0.00 0.14 0.00 5.26 9.65 -0.19 -3.30 114.38 125.94 2kdz h ARG 101 Ca -0.01 -0.23 0.00 0.00 -1.10 0.00 0.00 59.98 58.64 2kdz h ARG 101 Cb 1.05 0.09 0.00 0.00 -1.39 0.00 0.00 29.97 29.72 2kdz h ARG 101 CO 0.00 0.91 0.00 0.00 2.80 0.00 0.00 179.97 183.68 2kdz n ALA 102 N -2.63 2.10 -1.00 2.80 0.00 0.79 -4.98 120.51 117.60 2kdz n ALA 102 Ca -0.16 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.17 2kdz n ALA 102 Cb 1.03 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 19.20 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 -1.09 0.00 -3.25 0.00 4.76 -1.25 -4.83 118.16 112.51 2kdz n LYS 103 Ca 0.12 0.00 -0.03 0.00 -2.87 0.00 0.00 58.31 55.53 2kdz n LYS 103 Cb 0.08 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.23 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 -1.28 0.57 2.13 -3.43 -1.26 -4.90 115.29 107.12 2kdz s HIS 104 Ca 0.00 0.94 -0.16 0.00 -0.80 0.00 0.00 55.06 55.04 2kdz s HIS 104 Cb 0.00 0.16 -0.04 0.00 -1.43 0.00 0.00 32.58 31.26 2kdz s HIS 104 CO 0.00 -0.91 1.05 -0.65 -2.00 0.00 0.00 174.74 172.23 2kdz s GLN 105 N 2.68 3.42 0.20 -0.38 -0.21 -1.26 -4.90 119.66 119.20 2kdz s GLN 105 Ca 0.13 1.21 0.00 0.00 0.02 0.00 0.00 55.36 56.72 2kdz s GLN 105 Cb -0.13 -2.05 0.00 0.00 1.00 0.00 0.00 33.01 31.83 2kdz s GLN 105 CO -0.23 -0.73 0.00 1.17 -2.12 0.00 0.00 175.29 173.37 2kdz n LYS 106 N -1.87 0.00 0.00 2.91 4.81 -1.26 -5.33 118.16 117.43 2kdz n LYS 106 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.53 2kdz n LYS 106 Cb 0.53 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.58 2kdz n LYS 106 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00