#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k7r s GLU 2 N 0.00 2.10 -0.19 2.12 1.03 -1.26 -5.07 118.70 117.43 2k7r s GLU 2 Ca 0.00 -2.76 -0.28 0.00 0.03 0.00 0.00 54.97 51.95 2k7r s GLU 2 Cb 0.00 -3.36 -0.05 0.00 -0.80 0.00 0.00 34.13 29.92 2k7r s GLU 2 CO 0.00 -1.15 2.13 -2.14 -1.33 0.00 0.00 175.26 172.78 2k7r s PRO 3 N -0.51 3.30 0.15 -4.83 0.02 -1.26 -4.85 135.00 127.01 2k7r s PRO 3 Ca 0.19 2.04 -0.04 0.00 0.02 0.00 0.00 61.00 63.21 2k7r s PRO 3 Cb -0.22 -4.32 -0.02 0.00 0.02 0.00 0.00 34.50 29.97 2k7r s PRO 3 CO -0.03 -1.91 1.38 0.82 -0.33 0.00 0.00 177.00 176.92 2k7r h ILE 4 N 6.89 1.37 -2.23 2.83 2.04 -2.09 -3.27 117.51 123.05 2k7r h ILE 4 Ca -0.41 -2.19 -0.79 0.00 1.00 0.00 0.00 64.86 62.47 2k7r h ILE 4 Cb 1.23 2.17 -0.28 0.00 -0.74 0.00 0.00 36.82 39.19 2k7r h ILE 4 CO 0.97 0.66 0.90 0.61 0.00 0.00 0.00 178.15 181.29 2k7r n GLY 5 N 0.68 6.06 3.68 5.37 0.00 -1.26 -5.01 105.19 114.70 2k7r n GLY 5 Ca -0.05 -2.59 -0.44 0.00 0.00 0.00 0.00 46.02 42.94 2k7r n GLY 5 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k7r n ARG 6 N -0.12 2.64 0.00 1.61 1.74 -1.24 -4.86 116.66 116.43 2k7r n ARG 6 Ca 0.46 0.96 0.13 0.00 -0.77 0.00 0.00 57.85 58.64 2k7r n ARG 6 Cb 0.27 -2.84 0.50 0.00 -1.02 0.00 0.00 32.46 29.38 2k7r n ARG 6 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2k7r n SER 7 N 5.70 0.38 -3.63 0.55 7.64 -1.26 -4.33 113.62 118.66 2k7r n SER 7 Ca 0.19 -0.22 -0.41 0.00 1.01 0.00 0.00 58.87 59.44 2k7r n SER 7 Cb 0.35 -0.09 -0.01 0.00 -1.01 0.00 0.00 64.21 63.45 2k7r n SER 7 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2k7r n LEU 8 N -1.23 6.61 -3.66 -3.43 0.00 -1.26 -4.78 117.00 109.25 2k7r n LEU 8 Ca 0.10 -3.92 -0.26 0.00 0.00 0.00 0.00 56.01 51.93 2k7r n LEU 8 Cb 0.31 -1.53 -0.17 0.00 0.00 0.00 0.00 43.42 42.03 2k7r n LEU 8 CO 0.28 0.99 -0.35 0.00 0.00 0.00 0.00 177.39 178.31 2k7r s GLN 9 N 3.36 0.28 0.09 1.96 -2.07 -1.26 -5.13 119.66 116.89 2k7r s GLN 9 Ca 0.52 -0.16 -0.30 0.00 -1.82 0.00 0.00 55.36 53.59 2k7r s GLN 9 Cb 0.14 -1.81 -0.06 0.00 -1.09 0.00 0.00 33.01 30.19 2k7r s GLN 9 CO -0.05 -0.62 1.18 0.20 -1.32 0.00 0.00 175.29 174.67 2k7r s GLY 10 N 2.04 2.52 0.34 2.60 0.00 -1.26 -5.00 107.32 108.56 2k7r s GLY 10 Ca 0.01 0.84 -0.29 0.00 0.00 0.00 0.00 44.72 45.29 2k7r s GLY 10 CO -0.08 1.95 1.32 -1.34 0.00 0.00 0.00 173.10 174.95 2k7r s VAL 11 N 0.75 2.65 -0.17 1.40 -7.23 -1.26 -4.90 120.40 111.65 2k7r s VAL 11 Ca 0.56 0.66 0.28 0.00 -1.81 0.00 0.00 61.98 61.67 2k7r s VAL 11 Cb -0.29 -3.42 0.30 0.00 0.56 0.00 0.00 36.38 33.53 2k7r s VAL 11 CO 0.31 0.16 1.84 0.71 -0.31 0.00 0.00 175.10 177.80 2k7r h THR 12 N 3.02 0.00 -1.66 5.32 1.35 -2.08 -3.37 112.91 115.49 2k7r h THR 12 Ca -0.49 -0.24 -0.61 0.00 -0.55 0.00 0.00 66.41 64.52 2k7r h THR 12 Cb 1.23 1.03 -0.11 0.00 -1.73 0.00 0.00 68.15 68.56 2k7r h THR 12 CO 0.65 0.00 1.24 -0.83 -0.25 0.00 0.00 175.52 176.33 2k7r s GLY 13 N -3.77 1.34 -0.43 5.82 0.00 -1.26 -4.86 107.32 104.16 2k7r s GLY 13 Ca 0.01 -2.20 0.05 0.00 0.00 0.00 0.00 44.72 42.58 2k7r s GLY 13 CO 0.40 2.51 0.41 -0.96 0.00 0.00 0.00 173.10 175.46 2k7r n ARG 14 N 8.43 0.26 -1.44 2.90 0.00 -1.26 -5.03 116.66 120.52 2k7r n ARG 14 Ca 0.24 -2.97 -0.30 0.00 -0.00 0.00 0.00 57.85 54.82 2k7r n ARG 14 Cb 0.50 -1.62 0.22 0.00 -0.00 0.00 0.00 32.46 31.55 2k7r n ARG 14 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 2k7r s PRO 15 N 0.16 -0.42 0.61 2.89 0.04 -1.26 -4.89 135.00 132.13 2k7r s PRO 15 Ca 0.33 -0.20 0.35 0.00 0.04 0.00 0.00 61.00 61.51 2k7r s PRO 15 Cb 0.04 -1.70 1.99 0.00 0.04 0.00 0.00 34.50 34.86 2k7r s PRO 15 CO -0.17 -3.15 2.27 0.22 0.04 0.00 0.00 177.00 176.21 2k7r h ASP 16 N -2.18 0.00 -0.92 6.66 3.58 -2.00 -1.25 116.42 120.31 2k7r h ASP 16 Ca -0.45 0.00 0.15 0.00 0.42 0.00 0.00 57.03 57.15 2k7r h ASP 16 Cb 1.27 0.00 -0.09 0.00 1.72 0.00 0.00 39.33 42.23 2k7r h ASP 16 CO 0.36 0.01 0.53 0.15 -2.88 0.00 0.00 179.24 177.41 2k7r h PHE 17 N 0.00 0.94 0.00 0.28 3.57 -2.00 -0.35 116.94 119.38 2k7r h PHE 17 Ca -0.00 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.43 2k7r h PHE 17 Cb 0.04 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.49 2k7r h PHE 17 CO 0.00 0.27 -0.49 -0.56 -2.23 0.00 0.00 178.31 175.30 2k7r h GLN 18 N 0.76 0.00 -0.69 1.11 -0.00 -1.56 0.10 115.11 114.83 2k7r h GLN 18 Ca 0.49 0.00 -0.08 0.00 -0.00 0.00 0.00 58.65 59.07 2k7r h GLN 18 Cb 0.65 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 28.10 2k7r h GLN 18 CO -0.33 0.49 0.13 0.87 -0.00 0.00 0.00 178.83 179.99 2k7r h LYS 19 N 0.00 1.12 -0.12 0.06 1.57 -1.15 0.23 116.57 118.27 2k7r h LYS 19 Ca -0.00 -0.28 -0.02 0.00 -1.87 0.00 0.00 60.65 58.47 2k7r h LYS 19 Cb 0.89 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 33.06 2k7r h LYS 19 CO 0.06 1.00 0.00 0.00 -0.57 0.00 0.00 179.45 179.95 2k7r h ARG 20 N 1.05 0.22 -0.27 3.15 3.08 -0.87 -2.22 114.38 118.52 2k7r h ARG 20 Ca 0.21 -0.07 0.06 0.00 0.07 0.00 0.00 59.98 60.25 2k7r h ARG 20 Cb 0.41 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.39 2k7r h ARG 20 CO 0.01 0.46 -0.08 1.25 -1.07 0.00 0.00 179.97 180.54 2k7r h LEU 21 N -0.05 -0.28 -0.85 3.04 5.85 -0.33 0.24 115.31 122.93 2k7r h LEU 21 Ca 0.03 0.09 -0.11 0.00 0.84 0.00 0.00 57.88 58.73 2k7r h LEU 21 Cb 0.36 0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 2k7r h LEU 21 CO 0.01 -0.10 -0.53 1.05 -0.34 0.00 0.00 178.44 178.52 2k7r h GLU 22 N -0.02 0.00 0.01 1.25 4.11 -0.61 -0.28 114.58 119.05 2k7r h GLU 22 Ca 0.13 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.56 2k7r h GLU 22 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 2k7r h GLU 22 CO -0.29 0.53 -0.01 0.37 0.07 0.00 0.00 179.01 179.68 2k7r h GLN 23 N 0.00 -0.02 -0.36 1.06 5.75 -0.67 -2.14 115.11 118.72 2k7r h GLN 23 Ca -0.01 0.00 -0.10 0.00 -0.15 0.00 0.00 58.65 58.39 2k7r h GLN 23 Cb 1.01 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.55 2k7r h GLN 23 CO 0.07 0.50 -0.20 0.00 -2.65 0.00 0.00 178.83 176.56 2k7r h MET 24 N -0.55 0.69 -0.25 1.69 -0.00 -0.55 0.15 114.93 116.12 2k7r h MET 24 Ca -0.00 -0.26 0.05 0.00 -0.00 0.00 0.00 59.70 59.49 2k7r h MET 24 Cb 0.53 -0.04 -0.05 0.00 -0.00 0.00 0.00 31.60 32.04 2k7r h MET 24 CO 0.00 0.84 -0.10 -0.22 -0.00 0.00 0.00 176.91 177.43 2k7r h LYS 25 N 0.61 -0.05 -0.17 -0.10 1.63 -1.05 0.14 116.57 117.58 2k7r h LYS 25 Ca 0.09 0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 59.85 2k7r h LYS 25 Cb 0.67 0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 32.31 2k7r h LYS 25 CO 0.05 -0.04 -0.09 1.49 -3.45 0.00 0.00 179.45 177.41 2k7r h GLU 26 N -0.06 0.37 -0.69 1.90 4.81 -1.15 -2.68 114.58 117.08 2k7r h GLU 26 Ca 0.13 -0.16 0.11 0.00 -0.13 0.00 0.00 59.36 59.31 2k7r h GLU 26 Cb 0.25 -0.01 -0.08 0.00 0.63 0.00 0.00 28.75 29.54 2k7r h GLU 26 CO -0.29 0.68 0.29 0.87 -0.73 0.00 0.00 179.01 179.82 2k7r h LYS 27 N 0.04 0.46 -0.59 1.92 1.79 -0.35 -0.08 116.57 119.76 2k7r h LYS 27 Ca 0.04 -0.03 -0.04 0.00 -2.18 0.00 0.00 60.65 58.44 2k7r h LYS 27 Cb 0.57 -0.10 -0.03 0.00 -1.58 0.00 0.00 32.23 31.09 2k7r h LYS 27 CO 0.03 0.30 0.21 0.28 -1.08 0.00 0.00 179.45 179.19 2k7r h VAL 28 N 0.47 1.23 -0.06 0.50 2.07 -0.73 -1.78 116.25 117.96 2k7r h VAL 28 Ca 0.36 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 67.11 2k7r h VAL 28 Cb 0.47 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 2k7r h VAL 28 CO -0.33 0.29 0.00 0.23 0.02 0.00 0.00 177.57 177.78 2k7r n MET 29 N -4.44 1.31 -0.00 1.57 2.81 -0.33 -2.90 117.12 115.13 2k7r n MET 29 Ca 0.03 -0.28 0.01 0.00 -1.81 0.00 0.00 57.70 55.65 2k7r n MET 29 Cb 0.18 -1.45 -0.01 0.00 -0.71 0.00 0.00 33.22 31.23 2k7r n MET 29 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2k7r n LYS 30 N -0.03 5.35 -3.09 0.03 4.01 -0.19 -5.01 118.16 119.23 2k7r n LYS 30 Ca 0.02 -0.00 -0.35 0.00 -0.51 0.00 0.00 58.31 57.47 2k7r n LYS 30 Cb 0.27 -0.66 -0.06 0.00 -0.51 0.00 0.00 35.03 34.07 2k7r n LYS 30 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 2k7r s ASP 31 N -1.34 7.00 0.14 4.39 -1.08 -1.14 -4.98 116.67 119.66 2k7r s ASP 31 Ca 0.00 1.41 -0.03 0.00 -0.52 0.00 0.00 52.55 53.41 2k7r s ASP 31 Cb 0.01 -2.42 -0.06 0.00 -1.46 0.00 0.00 42.92 38.99 2k7r s ASP 31 CO 0.07 -0.03 1.33 1.56 0.52 0.00 0.00 175.17 178.62 2k7r h GLN 32 N 3.14 0.40 -0.42 4.34 1.08 -1.95 -2.71 115.11 118.99 2k7r h GLN 32 Ca -0.48 -0.41 -0.14 0.00 -1.45 0.00 0.00 58.65 56.17 2k7r h GLN 32 Cb 1.19 0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 28.72 2k7r h GLN 32 CO 0.65 1.07 -0.29 0.22 -0.95 0.00 0.00 178.83 179.54 2k7r h ASP 33 N 0.23 0.98 -0.65 1.46 1.82 -1.96 -2.69 116.42 115.61 2k7r h ASP 33 Ca -0.07 -0.43 0.04 0.00 -0.39 0.00 0.00 57.03 56.18 2k7r h ASP 33 Cb 1.52 -0.27 -0.05 0.00 0.68 0.00 0.00 39.33 41.21 2k7r h ASP 33 CO 0.15 1.20 0.39 0.58 -1.61 0.00 0.00 179.24 179.95 2k7r h VAL 34 N 0.77 1.03 -0.20 2.25 2.07 -1.86 -0.01 116.25 120.31 2k7r h VAL 34 Ca 0.08 -0.25 0.04 0.00 0.82 0.00 0.00 66.70 67.39 2k7r h VAL 34 Cb 0.87 0.23 -0.04 0.00 -1.52 0.00 0.00 31.29 30.83 2k7r h VAL 34 CO 0.08 0.14 -0.04 1.56 0.02 0.00 0.00 177.57 179.32 2k7r h GLN 35 N 0.74 0.01 -0.09 1.57 1.08 -1.26 0.26 115.11 117.42 2k7r h GLN 35 Ca 0.28 -0.00 0.01 0.00 -1.45 0.00 0.00 58.65 57.48 2k7r h GLN 35 Cb 0.09 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.51 2k7r h GLN 35 CO -0.14 0.01 0.04 0.00 -0.95 0.00 0.00 178.83 177.79 2k7r h ALA 36 N 1.19 0.10 -0.61 3.87 0.00 -1.09 -2.32 119.26 120.39 2k7r h ALA 36 Ca 0.09 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 2k7r h ALA 36 Cb 0.14 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 2k7r h ALA 36 CO -0.19 -0.42 0.20 0.35 0.00 0.00 0.00 179.25 179.18 2k7r h PHE 37 N 0.09 0.98 -0.11 0.00 3.57 -0.74 -1.35 116.94 119.37 2k7r h PHE 37 Ca 0.04 -0.10 0.04 0.00 3.53 0.00 0.00 57.97 61.48 2k7r h PHE 37 Cb 0.01 -0.29 -0.04 0.00 2.79 0.00 0.00 35.95 38.43 2k7r h PHE 37 CO -0.09 0.80 -0.12 -0.07 -2.23 0.00 0.00 178.31 176.60 2k7r h LEU 38 N 0.87 -0.38 -0.68 0.59 -0.00 -0.26 -1.01 115.31 114.44 2k7r h LEU 38 Ca 0.20 0.07 -0.07 0.00 -0.00 0.00 0.00 57.88 58.08 2k7r h LEU 38 Cb 0.28 0.18 -0.01 0.00 -0.00 0.00 0.00 40.66 41.11 2k7r h LEU 38 CO -0.01 -0.16 -0.32 0.07 -0.00 0.00 0.00 178.44 178.02 2k7r h LYS 39 N -0.15 0.00 -0.29 1.13 2.10 -1.36 0.21 116.57 118.20 2k7r h LYS 39 Ca 0.08 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.71 2k7r h LYS 39 Cb 0.27 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.59 2k7r h LYS 39 CO -0.20 0.32 0.10 1.49 -2.00 0.00 0.00 179.45 179.16 2k7r h GLU 40 N 0.00 0.45 -0.22 0.07 4.57 -0.48 -3.24 114.58 115.74 2k7r h GLU 40 Ca -0.00 -0.09 -0.09 0.00 -1.18 0.00 0.00 59.36 58.00 2k7r h GLU 40 Cb 0.98 -0.07 -0.05 0.00 -0.16 0.00 0.00 28.75 29.45 2k7r h GLU 40 CO 0.04 0.49 -0.13 0.09 -1.18 0.00 0.00 179.01 178.32 2k7r n ASN 41 N -4.72 2.59 0.24 1.04 3.02 -0.46 -4.70 115.26 112.27 2k7r n ASN 41 Ca -0.02 -3.56 0.16 0.00 -0.03 0.00 0.00 54.58 51.13 2k7r n ASN 41 Cb 0.15 -0.57 0.71 0.00 -0.61 0.00 0.00 39.78 39.46 2k7r n ASN 41 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 2k7r h GLU 42 N 1.01 0.00 0.00 3.52 4.11 -0.61 0.34 114.58 122.95 2k7r h GLU 42 Ca 0.11 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.44 2k7r h GLU 42 Cb 1.40 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.64 2k7r h GLU 42 CO 0.23 0.00 -0.43 1.49 0.07 0.00 0.00 179.01 180.36 2k7r h GLU 43 N 0.00 0.00 0.01 1.06 4.22 -1.84 -3.34 114.58 114.69 2k7r h GLU 43 Ca 0.00 0.00 -0.40 0.00 0.08 0.00 0.00 59.36 59.04 2k7r h GLU 43 Cb 0.36 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.54 2k7r h GLU 43 CO 0.00 0.43 -2.45 0.28 -2.18 0.00 0.00 179.01 175.10 2k7r n VAL 44 N -3.51 1.52 -2.79 0.32 0.31 0.14 -4.97 118.33 109.35 2k7r n VAL 44 Ca -0.00 -0.52 -0.37 0.00 -0.01 0.00 0.00 64.34 63.44 2k7r n VAL 44 Cb 0.56 -1.56 -0.06 0.00 -0.91 0.00 0.00 33.84 31.87 2k7r n VAL 44 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2k7r s ILE 45 N -2.52 4.21 0.32 2.52 1.01 0.98 -5.07 121.20 122.65 2k7r s ILE 45 Ca -0.35 1.82 0.09 0.00 0.00 0.00 0.00 60.65 62.21 2k7r s ILE 45 Cb 0.10 -4.02 -0.05 0.00 0.01 0.00 0.00 42.46 38.50 2k7r s ILE 45 CO 0.58 0.16 0.03 -0.62 0.00 0.00 0.00 174.94 175.09 2k7r s ASP 46 N -1.60 4.37 0.23 3.58 2.15 -1.26 -4.77 116.67 119.37 2k7r s ASP 46 Ca 0.50 -0.84 -0.06 0.00 0.43 0.00 0.00 52.55 52.57 2k7r s ASP 46 Cb -0.19 -0.65 0.36 0.00 -0.30 0.00 0.00 42.92 42.13 2k7r s ASP 46 CO 0.24 -0.17 1.80 1.56 -0.17 0.00 0.00 175.17 178.43 2k7r h GLN 47 N 1.79 0.69 -0.25 4.34 4.20 -1.97 -1.99 115.11 121.91 2k7r h GLN 47 Ca -0.43 -0.04 -0.14 0.00 0.06 0.00 0.00 58.65 58.10 2k7r h GLN 47 Cb 1.25 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.87 2k7r h GLN 47 CO 0.64 0.46 -0.40 0.87 -0.67 0.00 0.00 178.83 179.72 2k7r h LYS 48 N 0.71 0.60 -0.92 1.46 1.57 -1.99 -2.42 116.57 115.58 2k7r h LYS 48 Ca 0.37 -0.31 0.09 0.00 -1.87 0.00 0.00 60.65 58.93 2k7r h LYS 48 Cb 0.34 0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.59 2k7r h LYS 48 CO -0.25 0.90 0.59 1.98 -0.57 0.00 0.00 179.45 182.11 2k7r h MET 49 N 0.50 0.92 -0.25 3.15 4.05 -1.70 0.14 114.93 121.74 2k7r h MET 49 Ca 0.04 -0.06 -0.01 0.00 -0.28 0.00 0.00 59.70 59.40 2k7r h MET 49 Cb 0.92 -0.21 -0.01 0.00 -0.80 0.00 0.00 31.60 31.50 2k7r h MET 49 CO 0.08 0.61 0.13 0.82 0.23 0.00 0.00 176.91 178.78 2k7r h ILE 50 N 0.95 1.12 -0.02 1.77 1.08 -0.91 0.84 117.51 122.34 2k7r h ILE 50 Ca 0.42 -0.33 -0.12 0.00 -0.39 0.00 0.00 64.86 64.44 2k7r h ILE 50 Cb 0.37 0.89 -0.02 0.00 -3.07 0.00 0.00 36.82 35.00 2k7r h ILE 50 CO -0.18 0.12 -0.54 -0.33 -0.69 0.00 0.00 178.15 176.52 2k7r h GLU 51 N 0.28 0.06 -0.21 2.37 5.08 -1.12 0.14 114.58 121.18 2k7r h GLU 51 Ca 0.09 -0.03 -0.11 0.00 -1.00 0.00 0.00 59.36 58.30 2k7r h GLU 51 Cb 0.08 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 2k7r h GLU 51 CO -0.01 0.59 -0.31 0.87 -1.00 0.00 0.00 179.01 179.14 2k7r h LYS 52 N 0.04 0.59 -0.72 2.33 1.79 -0.55 -3.09 116.57 116.96 2k7r h LYS 52 Ca -0.00 -0.35 0.00 0.00 -2.18 0.00 0.00 60.65 58.12 2k7r h LYS 52 Cb 0.98 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.66 2k7r h LYS 52 CO 0.07 0.95 0.00 0.43 -1.08 0.00 0.00 179.45 179.82 2k7r n SER 53 N -4.32 4.04 -0.08 0.86 7.64 0.27 -4.45 113.62 117.58 2k7r n SER 53 Ca -0.05 -2.58 -0.07 0.00 1.01 0.00 0.00 58.87 57.18 2k7r n SER 53 Cb 0.48 -0.61 -0.00 0.00 -1.01 0.00 0.00 64.21 63.07 2k7r n SER 53 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2k7r h LEU 54 N 2.61 -0.59 -0.67 -3.43 6.46 -0.88 -0.06 115.31 118.74 2k7r h LEU 54 Ca 0.00 0.13 0.11 0.00 -0.12 0.00 0.00 57.88 58.00 2k7r h LEU 54 Cb 1.44 0.31 -0.08 0.00 -0.73 0.00 0.00 40.66 41.60 2k7r h LEU 54 CO 0.31 -0.21 0.26 0.78 -0.62 0.00 0.00 178.44 178.96 2k7r h ASN 55 N -0.14 0.26 0.31 1.25 2.35 -1.84 0.24 115.58 118.01 2k7r h ASN 55 Ca 0.16 0.09 -0.02 0.00 -0.55 0.00 0.00 56.30 55.99 2k7r h ASN 55 Cb 0.38 0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.82 2k7r h ASN 55 CO -0.40 0.13 -0.15 0.11 -1.65 0.00 0.00 177.43 175.48 2k7r h LYS 56 N 0.44 -0.40 -0.29 0.81 1.79 -1.59 -0.20 116.57 117.14 2k7r h LYS 56 Ca 0.35 0.03 -0.04 0.00 -2.18 0.00 0.00 60.65 58.81 2k7r h LYS 56 Cb 0.47 0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 31.20 2k7r h LYS 56 CO -0.34 -0.15 0.00 -0.07 -1.08 0.00 0.00 179.45 177.81 2k7r h LEU 57 N -0.60 0.40 -0.13 2.94 4.07 -0.57 0.26 115.31 121.68 2k7r h LEU 57 Ca -0.04 -0.06 -0.21 0.00 0.08 0.00 0.00 57.88 57.65 2k7r h LEU 57 Cb 0.43 -0.10 0.01 0.00 1.08 0.00 0.00 40.66 42.08 2k7r h LEU 57 CO 0.07 0.46 -0.72 0.22 -1.08 0.00 0.00 178.44 177.39 2k7r h TYR 58 N 0.42 0.98 -0.19 1.13 3.20 -0.47 -2.59 116.97 119.44 2k7r h TYR 58 Ca 0.09 -0.44 -0.07 0.00 3.14 0.00 0.00 58.73 61.45 2k7r h TYR 58 Cb 0.27 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 2k7r h TYR 58 CO 0.01 1.26 -0.19 1.49 -1.64 0.00 0.00 178.16 179.08 2k7r h GLU 59 N 0.41 0.33 0.09 1.82 4.81 -0.52 -1.76 114.58 119.77 2k7r h GLU 59 Ca -0.05 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 2k7r h GLU 59 Cb 1.36 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.70 2k7r h GLU 59 CO 0.15 0.52 -0.09 -0.92 -0.73 0.00 0.00 179.01 177.94 2k7r h TYR 60 N 0.31 -0.24 0.00 0.92 3.20 -0.38 -2.37 116.97 118.41 2k7r h TYR 60 Ca 0.05 0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.79 2k7r h TYR 60 Cb 0.52 0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.87 2k7r h TYR 60 CO 0.01 -0.15 -0.63 -0.84 -1.64 0.00 0.00 178.16 174.92 2k7r h ILE 61 N -0.21 1.28 -0.04 1.81 3.07 -1.32 -3.24 117.51 118.86 2k7r h ILE 61 Ca 0.01 -2.28 -0.17 0.00 1.55 0.00 0.00 64.86 63.96 2k7r h ILE 61 Cb 0.20 2.29 -0.01 0.00 -0.27 0.00 0.00 36.82 39.03 2k7r h ILE 61 CO -0.03 0.61 -0.73 -0.08 -1.05 0.00 0.00 178.15 176.87 2k7r h GLU 62 N 0.00 0.24 -7.81 0.16 4.57 -1.20 -3.46 114.58 107.09 2k7r h GLU 62 Ca -0.01 -0.21 -0.44 0.00 -1.18 0.00 0.00 59.36 57.52 2k7r h GLU 62 Cb 1.24 0.05 0.17 0.00 -0.16 0.00 0.00 28.75 30.04 2k7r h GLU 62 CO 0.08 0.87 0.40 -0.65 -1.18 0.00 0.00 179.01 178.53 2k7r s GLN 63 N -3.51 0.49 -0.13 1.92 -0.21 -0.90 -4.96 119.66 112.36 2k7r s GLN 63 Ca -0.04 -0.57 -0.29 0.00 0.02 0.00 0.00 55.36 54.48 2k7r s GLN 63 Cb 0.11 -1.87 -0.05 0.00 1.00 0.00 0.00 33.01 32.20 2k7r s GLN 63 CO 0.82 -2.48 1.73 0.45 -2.12 0.00 0.00 175.29 173.68 2k7r s SER 64 N -4.94 6.42 0.30 5.90 0.15 -1.26 -4.86 113.70 115.41 2k7r s SER 64 Ca 0.76 2.01 0.15 0.00 0.70 0.00 0.00 55.95 59.56 2k7r s SER 64 Cb -0.03 -2.53 0.35 0.00 -1.71 0.00 0.00 66.02 62.11 2k7r s SER 64 CO 0.53 -1.17 1.58 0.50 1.20 0.00 0.00 173.24 175.88 2k7r h LYS 65 N 10.64 0.00 0.00 5.44 3.11 -1.89 -3.42 116.57 130.45 2k7r h LYS 65 Ca -0.38 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.46 2k7r h LYS 65 Cb 1.18 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.41 2k7r h LYS 65 CO 0.97 0.53 0.00 -1.71 -2.81 0.00 0.00 179.45 176.44 2k7r n ASN 66 N -3.47 0.26 -3.61 4.20 2.85 -1.26 -4.52 115.26 109.69 2k7r n ASN 66 Ca 0.00 -0.09 -0.12 0.00 -0.11 0.00 0.00 54.58 54.27 2k7r n ASN 66 Cb 0.64 0.00 -0.05 0.00 1.24 0.00 0.00 39.78 41.61 2k7r n ASN 66 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2k7r n SER 68 N 0.05 0.00 0.04 0.00 2.88 -1.26 -0.79 113.62 114.55 2k7r n SER 68 Ca -0.17 0.47 0.08 0.00 -1.33 0.00 0.00 58.87 57.93 2k7r n SER 68 Cb 0.62 -0.49 0.37 0.00 -0.75 0.00 0.00 64.21 63.96 2k7r n SER 68 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2k7r n TYR 69 N -1.49 0.27 0.00 0.66 9.36 -1.26 -3.85 117.16 120.85 2k7r n TYR 69 Ca 0.07 0.11 0.00 0.00 3.32 0.00 0.00 57.90 61.40 2k7r n TYR 69 Cb 0.32 -0.67 0.00 0.00 -0.63 0.00 0.00 39.34 38.36 2k7r n TYR 69 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2k7r s SER 71 N -3.72 6.36 -0.06 0.00 0.01 0.03 -4.98 113.70 111.34 2k7r s SER 71 Ca 0.00 0.27 0.07 0.00 1.31 0.00 0.00 55.95 57.60 2k7r s SER 71 Cb 0.00 -1.96 0.32 0.00 0.21 0.00 0.00 66.02 64.60 2k7r s SER 71 CO 0.00 0.06 1.11 -1.84 0.41 0.00 0.00 173.24 172.98 2k7r n GLU 72 N -0.35 2.30 -1.98 12.44 -0.00 -1.26 -4.17 120.64 127.63 2k7r n GLU 72 Ca -0.06 -1.26 -0.25 0.00 -0.00 0.00 0.00 57.16 55.59 2k7r n GLU 72 Cb 0.53 -1.60 -0.06 0.00 -0.00 0.00 0.00 31.44 30.31 2k7r n GLU 72 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 2k7r s ASP 73 N -0.59 4.86 0.05 -1.84 1.01 -1.26 -4.70 116.67 114.20 2k7r s ASP 73 Ca 0.22 -0.94 0.28 0.00 0.71 0.00 0.00 52.55 52.82 2k7r s ASP 73 Cb 0.15 -2.57 1.10 0.00 1.01 0.00 0.00 42.92 42.61 2k7r s ASP 73 CO 0.10 -3.11 1.87 1.21 0.21 0.00 0.00 175.17 175.44 2k7r n GLU 74 N 8.62 0.07 0.07 8.23 2.13 -1.26 -3.33 120.64 135.17 2k7r n GLU 74 Ca 0.42 0.06 0.13 0.00 0.66 0.00 0.00 57.16 58.43 2k7r n GLU 74 Cb 0.46 -1.58 0.43 0.00 0.27 0.00 0.00 31.44 31.03 2k7r n GLU 74 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 2k7r n ASN 75 N -1.70 0.59 -4.59 4.31 2.85 -1.26 -4.68 115.26 110.77 2k7r n ASN 75 Ca 0.07 0.49 -0.42 0.00 -0.11 0.00 0.00 54.58 54.60 2k7r n ASN 75 Cb 0.36 -0.60 -0.05 0.00 1.24 0.00 0.00 39.78 40.73 2k7r n ASN 75 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2k7r s ASN 77 N 1.75 6.41 -0.05 0.00 2.47 -1.26 -4.95 114.94 119.30 2k7r s ASN 77 Ca 0.30 0.43 0.06 0.00 0.42 0.00 0.00 52.86 54.07 2k7r s ASN 77 Cb -0.14 -2.55 -0.01 0.00 -1.45 0.00 0.00 41.25 37.10 2k7r s ASN 77 CO 0.15 -1.45 -0.25 0.20 -3.72 0.00 0.00 177.10 172.03 2k7r s ASN 78 N 3.33 3.05 -0.19 -4.21 0.01 -1.26 -4.88 114.94 110.80 2k7r s ASN 78 Ca 0.51 -0.51 0.07 0.00 -0.71 0.00 0.00 52.86 52.22 2k7r s ASN 78 Cb -0.09 -0.80 -0.16 0.00 0.41 0.00 0.00 41.25 40.60 2k7r s ASN 78 CO 0.29 0.25 -0.08 0.00 -1.51 0.00 0.00 177.10 176.05 2k7r n LEU 79 N 2.92 1.77 -2.28 0.60 -0.00 -1.26 -4.37 117.00 114.37 2k7r n LEU 79 Ca -0.17 -0.07 -0.21 0.00 -0.00 0.00 0.00 56.01 55.56 2k7r n LEU 79 Cb 0.52 -0.26 -0.09 0.00 -0.00 0.00 0.00 43.42 43.59 2k7r n LEU 79 CO 0.25 0.66 1.56 0.18 -0.00 0.00 0.00 177.39 180.04 2k7r n LEU 80 N -2.89 6.07 -4.76 1.47 7.99 -1.26 -4.97 117.00 118.64 2k7r n LEU 80 Ca -0.32 -3.71 -0.37 0.00 -0.01 0.00 0.00 56.01 51.60 2k7r n LEU 80 Cb 0.94 -1.28 0.01 0.00 -0.11 0.00 0.00 43.42 42.98 2k7r n LEU 80 CO 0.26 1.68 0.85 -0.70 -1.51 0.00 0.00 177.39 177.97 2k7r s GLU 81 N -0.85 3.46 0.00 3.23 2.56 -1.26 -2.50 118.70 123.33 2k7r s GLU 81 Ca 0.59 1.84 0.00 0.00 0.00 0.00 0.00 54.97 57.40 2k7r s GLU 81 Cb 0.35 -2.24 0.00 0.00 2.00 0.00 0.00 34.13 34.23 2k7r s GLU 81 CO -0.14 -0.81 0.00 0.41 -0.56 0.00 0.00 175.26 174.16 2k7r n GLY 82 N 0.46 0.88 3.54 -1.50 0.00 -1.26 -5.04 105.19 102.27 2k7r n GLY 82 Ca 0.09 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.86 2k7r n GLY 82 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k7r s TYR 83 N -2.33 2.10 0.05 1.61 2.02 -1.04 -0.08 117.35 119.68 2k7r s TYR 83 Ca 0.00 -0.91 0.05 0.00 -0.37 0.00 0.00 57.07 55.84 2k7r s TYR 83 Cb 0.00 -1.46 -0.02 0.00 -0.40 0.00 0.00 41.96 40.08 2k7r s TYR 83 CO 0.00 0.13 -0.14 -1.01 -1.57 0.00 0.00 175.55 172.96 2k7r s HIS 84 N -3.06 1.20 0.16 2.71 3.76 0.59 -4.57 115.29 116.07 2k7r s HIS 84 Ca 0.31 -0.40 -0.30 0.00 -0.15 0.00 0.00 55.06 54.53 2k7r s HIS 84 Cb 0.08 -0.70 -0.07 0.00 1.11 0.00 0.00 32.58 33.00 2k7r s HIS 84 CO 0.15 0.04 1.06 -1.25 -0.85 0.00 0.00 174.74 173.89 2k7r s PRO 85 N -1.38 4.63 0.02 8.40 0.04 -1.26 -0.99 135.00 144.46 2k7r s PRO 85 Ca -0.00 1.63 0.02 0.00 0.04 0.00 0.00 61.00 62.69 2k7r s PRO 85 Cb -0.09 -3.31 -0.02 0.00 0.04 0.00 0.00 34.50 31.13 2k7r s PRO 85 CO 0.02 0.12 -0.06 -1.59 0.04 0.00 0.00 177.00 175.53 2k7r s LYS 86 N -0.26 0.42 0.28 4.56 -2.85 0.10 -4.94 119.74 117.05 2k7r s LYS 86 Ca 0.49 -0.51 -0.27 0.00 -1.00 0.00 0.00 55.97 54.68 2k7r s LYS 86 Cb -0.27 -0.24 -0.09 0.00 -2.06 0.00 0.00 37.83 35.16 2k7r s LYS 86 CO 0.33 0.05 0.91 -0.51 0.10 0.00 0.00 175.35 176.23 2k7r s LEU 87 N -1.02 4.44 0.00 2.77 1.43 -1.26 -0.85 118.68 124.19 2k7r s LEU 87 Ca -0.07 1.82 0.00 0.00 -1.03 0.00 0.00 54.13 54.85 2k7r s LEU 87 Cb -0.07 -3.83 -0.00 0.00 0.03 0.00 0.00 46.19 42.32 2k7r s LEU 87 CO -0.00 0.02 -0.00 0.68 0.23 0.00 0.00 176.35 177.27 2k7r s VAL 88 N -1.46 0.02 -0.35 -1.59 -7.23 -0.38 -4.90 120.40 104.50 2k7r s VAL 88 Ca 0.46 -0.13 -0.18 0.00 -1.81 0.00 0.00 61.98 60.32 2k7r s VAL 88 Cb -0.21 -0.05 -0.00 0.00 0.56 0.00 0.00 36.38 36.68 2k7r s VAL 88 CO 0.26 -0.07 0.53 0.54 -0.31 0.00 0.00 175.10 176.05 2k7r s VAL 89 N -0.20 5.00 -0.45 1.32 0.11 -1.26 0.02 120.40 124.94 2k7r s VAL 89 Ca -0.02 0.35 0.00 0.00 -2.93 0.00 0.00 61.98 59.38 2k7r s VAL 89 Cb -0.01 -3.98 0.12 0.00 -1.53 0.00 0.00 36.38 30.97 2k7r s VAL 89 CO -0.00 -0.24 0.21 0.20 -3.33 0.00 0.00 175.10 171.94 2k7r s ASN 90 N 1.77 4.97 1.50 3.54 0.01 0.68 -4.98 114.94 122.43 2k7r s ASN 90 Ca 0.19 -2.38 0.00 0.00 -0.71 0.00 0.00 52.86 49.97 2k7r s ASN 90 Cb -0.15 -1.75 0.00 0.00 0.41 0.00 0.00 41.25 39.76 2k7r s ASN 90 CO 0.14 -0.42 0.00 0.61 -1.51 0.00 0.00 177.10 175.92 2k7r n GLY 91 N 4.06 2.04 0.66 0.66 0.00 -1.26 -2.16 105.19 109.19 2k7r n GLY 91 Ca 0.03 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.13 2k7r n GLY 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k7r n ARG 92 N 3.88 1.34 -4.56 1.61 3.00 -1.26 -4.97 116.66 115.69 2k7r n ARG 92 Ca 0.00 -1.52 -0.28 0.00 -0.01 0.00 0.00 57.85 56.04 2k7r n ARG 92 Cb 0.00 -1.31 -0.14 0.00 0.00 0.00 0.00 32.46 31.01 2k7r n ARG 92 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 2k7r s SER 93 N -1.29 3.02 -0.23 0.55 1.04 -0.92 -4.81 113.70 111.07 2k7r s SER 93 Ca 0.20 -0.66 -0.08 0.00 0.48 0.00 0.00 55.95 55.89 2k7r s SER 93 Cb 0.14 -0.22 -0.04 0.00 0.10 0.00 0.00 66.02 65.99 2k7r s SER 93 CO 0.20 0.18 0.09 -0.63 0.98 0.00 0.00 173.24 174.06 2k7r s ILE 94 N -0.96 4.75 0.53 -1.02 1.01 -1.26 -0.23 121.20 124.02 2k7r s ILE 94 Ca 0.11 -0.03 0.06 0.00 0.00 0.00 0.00 60.65 60.79 2k7r s ILE 94 Cb -0.10 -3.20 0.03 0.00 0.01 0.00 0.00 42.46 39.21 2k7r s ILE 94 CO 0.04 0.38 0.39 -1.81 0.00 0.00 0.00 174.94 173.94 2k7r s ASP 95 N 1.07 4.65 -0.27 3.58 1.01 0.10 -4.83 116.67 121.98 2k7r s ASP 95 Ca 0.05 -1.21 0.01 0.00 0.71 0.00 0.00 52.55 52.11 2k7r s ASP 95 Cb -0.14 0.31 0.08 0.00 1.01 0.00 0.00 42.92 44.18 2k7r s ASP 95 CO 0.04 -1.05 0.01 -0.63 0.21 0.00 0.00 175.17 173.74 2k7r s ILE 96 N -2.74 1.46 0.09 0.77 1.01 -1.26 -1.25 121.20 119.28 2k7r s ILE 96 Ca 0.35 -1.43 0.03 0.00 0.00 0.00 0.00 60.65 59.60 2k7r s ILE 96 Cb -0.02 -1.89 -0.04 0.00 0.01 0.00 0.00 42.46 40.52 2k7r s ILE 96 CO 0.22 -0.33 0.09 -1.61 0.00 0.00 0.00 174.94 173.31 2k7r s GLU 97 N 1.38 2.89 -0.22 2.79 0.41 -0.03 -4.87 118.70 121.04 2k7r s GLU 97 Ca 0.01 -0.71 -0.10 0.00 -0.41 0.00 0.00 54.97 53.75 2k7r s GLU 97 Cb -0.18 -2.72 -0.05 0.00 -1.78 0.00 0.00 34.13 29.40 2k7r s GLU 97 CO -0.11 0.55 0.15 0.71 -0.49 0.00 0.00 175.26 176.07 2k7r s TYR 98 N -1.44 3.34 -0.02 1.61 1.51 -1.26 0.00 117.35 121.10 2k7r s TYR 98 Ca 0.30 0.25 -0.00 0.00 -1.01 0.00 0.00 57.07 56.60 2k7r s TYR 98 Cb -0.12 -2.22 -0.04 0.00 -0.11 0.00 0.00 41.96 39.47 2k7r s TYR 98 CO 0.22 0.14 0.05 1.52 -1.11 0.00 0.00 175.55 176.38 2k7r s TYR 99 N 0.80 3.22 0.33 2.71 1.13 -0.16 -4.86 117.35 120.53 2k7r s TYR 99 Ca 0.08 0.18 -0.29 0.00 -1.41 0.00 0.00 57.07 55.63 2k7r s TYR 99 Cb -0.13 -1.73 -0.11 0.00 -1.10 0.00 0.00 41.96 38.89 2k7r s TYR 99 CO 0.02 0.52 1.44 -1.83 -2.51 0.00 0.00 175.55 173.19 2k7r s GLU 100 N -1.55 4.21 0.03 -3.49 -1.05 -1.26 -0.30 118.70 115.28 2k7r s GLU 100 Ca 0.20 2.42 -0.33 0.00 -0.15 0.00 0.00 54.97 57.12 2k7r s GLU 100 Cb -0.12 -3.03 -0.12 0.00 -0.44 0.00 0.00 34.13 30.43 2k7r s GLU 100 CO 0.11 -0.42 1.82 0.00 0.95 0.00 0.00 175.26 177.72 2k7r h PRO 102 N 8.50 0.00 0.00 0.00 0.13 -1.90 -1.03 132.00 137.70 2k7r h PRO 102 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2k7r h PRO 102 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2k7r h PRO 102 CO 0.93 0.00 0.00 0.28 -0.23 0.00 0.00 178.00 178.98 2k7r h VAL 103 N 0.00 0.00 0.00 1.56 2.07 -1.93 -0.49 116.25 117.47 2k7r h VAL 103 Ca 0.00 -0.28 -0.02 0.00 0.82 0.00 0.00 66.70 67.22 2k7r h VAL 103 Cb 0.13 1.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.96 2k7r h VAL 103 CO 0.00 0.00 -0.11 0.50 0.02 0.00 0.00 177.57 177.98 2k7r h LYS 104 N 0.00 0.00 -5.41 1.57 3.64 -1.51 -3.40 116.57 111.45 2k7r h LYS 104 Ca 0.00 0.00 -0.60 0.00 -1.27 0.00 0.00 60.65 58.78 2k7r h LYS 104 Cb 0.38 0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 32.09 2k7r h LYS 104 CO 0.00 0.11 -0.27 1.03 -2.27 0.00 0.00 179.45 178.05 2k7r s ARG 105 N -3.89 4.19 0.00 1.90 1.81 -0.19 -5.16 118.95 117.61 2k7r s ARG 105 Ca -0.01 0.12 0.00 0.00 -1.72 0.00 0.00 55.73 54.12 2k7r s ARG 105 Cb 0.11 -3.50 0.00 0.00 -0.45 0.00 0.00 34.95 31.11 2k7r s ARG 105 CO 0.57 0.06 0.34 1.63 -0.68 0.00 0.00 175.30 177.22