#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 2.50 -0.37 3.17 2.12 -1.26 -5.07 118.70 119.79 2k7r s GLU 2 Ca 0.00 -2.83 -0.29 0.00 0.36 0.00 0.00 54.97 52.21 2k7r s GLU 2 Cb 0.00 -3.60 -0.00 0.00 0.26 0.00 0.00 34.13 30.79 2k7r s GLU 2 CO 0.00 -1.19 1.58 -2.14 -0.54 0.00 0.00 175.26 172.97 2k7r s PRO 3 N -0.60 3.48 -0.02 4.30 0.02 -1.26 -4.84 135.00 136.08 2k7r s PRO 3 Ca 0.20 1.15 0.07 0.00 0.02 0.00 0.00 61.00 62.45 2k7r s PRO 3 Cb -0.17 -4.10 -0.24 0.00 0.02 0.00 0.00 34.50 30.01 2k7r s PRO 3 CO -0.06 -1.68 0.75 0.82 -0.33 0.00 0.00 177.00 176.50 2k7r h ILE 4 N 6.61 1.00 -0.30 2.83 1.08 -2.07 -3.39 117.51 123.26 2k7r h ILE 4 Ca -0.30 -2.79 -0.70 0.00 -0.39 0.00 0.00 64.86 60.68 2k7r h ILE 4 Cb 1.13 2.54 -0.03 0.00 -3.07 0.00 0.00 36.82 37.39 2k7r h ILE 4 CO 1.06 0.65 3.27 0.61 -0.69 0.00 0.00 178.15 183.05 2k7r n GLY 5 N 1.59 4.49 0.96 5.37 0.00 -1.26 -4.45 105.19 111.88 2k7r n GLY 5 Ca -0.16 -1.67 0.12 0.00 0.00 0.00 0.00 46.02 44.32 2k7r n GLY 5 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2k7r n ARG 6 N 4.06 2.28 -1.79 1.61 1.85 -1.26 -4.65 116.66 118.75 2k7r n ARG 6 Ca 0.65 -1.90 -0.42 0.00 -1.00 0.00 0.00 57.85 55.18 2k7r n ARG 6 Cb 0.29 -1.48 -0.00 0.00 -1.05 0.00 0.00 32.46 30.22 2k7r n ARG 6 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 2k7r n SER 7 N 1.19 4.79 0.00 2.89 7.64 -1.26 -4.67 113.62 124.21 2k7r n SER 7 Ca 0.17 -2.86 0.07 0.00 1.01 0.00 0.00 58.87 57.26 2k7r n SER 7 Cb 0.55 -1.61 0.42 0.00 -1.01 0.00 0.00 64.21 62.56 2k7r n SER 7 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2k7r n LEU 8 N 5.28 0.00 0.09 -3.43 7.99 -1.26 -2.60 117.00 123.06 2k7r n LEU 8 Ca 0.53 0.00 -0.14 0.00 -0.01 0.00 0.00 56.01 56.40 2k7r n LEU 8 Cb 0.36 0.00 -0.09 0.00 -0.11 0.00 0.00 43.42 43.58 2k7r n LEU 8 CO 0.88 0.00 0.07 1.56 -1.51 0.00 0.00 177.39 178.39 2k7r h GLN 9 N 0.00 0.30 0.00 3.23 4.20 -2.00 -3.49 115.11 117.35 2k7r h GLN 9 Ca 0.00 -0.41 0.00 0.00 0.06 0.00 0.00 58.65 58.30 2k7r h GLN 9 Cb 0.00 0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.92 2k7r h GLN 9 CO 0.00 1.14 0.00 0.41 -0.67 0.00 0.00 178.83 179.71 2k7r n GLY 10 N 1.25 0.14 2.79 3.46 0.00 -1.07 -4.81 105.19 106.95 2k7r n GLY 10 Ca -0.07 -0.93 -0.21 0.00 0.00 0.00 0.00 46.02 44.82 2k7r n GLY 10 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2k7r s VAL 11 N 0.00 0.29 0.09 1.61 -7.23 -1.26 -5.01 120.40 108.88 2k7r s VAL 11 Ca 0.00 0.11 0.16 0.00 -1.81 0.00 0.00 61.98 60.44 2k7r s VAL 11 Cb 0.00 -0.42 0.07 0.00 0.56 0.00 0.00 36.38 36.59 2k7r s VAL 11 CO 0.00 0.21 1.60 0.00 -0.31 0.00 0.00 175.10 176.61 2k7r h THR 12 N 6.29 1.01 -3.33 5.32 1.03 -2.05 -3.42 112.91 117.76 2k7r h THR 12 Ca -0.28 -1.94 -0.60 0.00 -0.01 0.00 0.00 66.41 63.58 2k7r h THR 12 Cb 1.13 2.16 -0.13 0.00 -1.07 0.00 0.00 68.15 70.25 2k7r h THR 12 CO 0.34 0.48 -0.49 -0.83 -0.01 0.00 0.00 175.52 175.00 2k7r s GLY 13 N -4.43 2.03 -0.40 2.99 0.00 -1.26 -5.04 107.32 101.21 2k7r s GLY 13 Ca 0.01 -0.73 0.03 0.00 0.00 0.00 0.00 44.72 44.04 2k7r s GLY 13 CO 0.72 0.18 0.36 0.50 0.00 0.00 0.00 173.10 174.86 2k7r s ARG 14 N 0.49 0.79 0.20 2.90 0.52 -1.26 -5.12 118.95 117.46 2k7r s ARG 14 Ca 0.08 -1.57 -0.30 0.00 -0.52 0.00 0.00 55.73 53.42 2k7r s ARG 14 Cb -0.11 -1.10 -0.09 0.00 0.52 0.00 0.00 34.95 34.17 2k7r s ARG 14 CO -0.01 -1.30 1.28 -1.25 0.02 0.00 0.00 175.30 174.03 2k7r s PRO 15 N 0.65 4.42 0.46 3.54 0.04 -1.26 -4.93 135.00 137.92 2k7r s PRO 15 Ca 0.26 2.01 0.26 0.00 0.04 0.00 0.00 61.00 63.57 2k7r s PRO 15 Cb -0.07 -3.20 0.92 0.00 0.04 0.00 0.00 34.50 32.20 2k7r s PRO 15 CO -0.10 -0.20 1.82 0.38 0.04 0.00 0.00 177.00 178.94 2k7r h ASP 16 N 5.20 0.00 0.02 6.66 2.03 -2.00 -3.24 116.42 125.08 2k7r h ASP 16 Ca -0.45 0.00 0.03 0.00 -0.73 0.00 0.00 57.03 55.88 2k7r h ASP 16 Cb 1.21 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 39.68 2k7r h ASP 16 CO 0.76 0.16 -0.20 0.15 -1.03 0.00 0.00 179.24 179.08 2k7r h PHE 17 N 0.00 -0.51 -0.10 4.15 3.57 -2.01 -2.15 116.94 119.90 2k7r h PHE 17 Ca -0.00 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.47 2k7r h PHE 17 Cb 0.75 0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.71 2k7r h PHE 17 CO 0.00 -0.28 -0.13 -0.56 -2.23 0.00 0.00 178.31 175.11 2k7r h GLN 18 N -0.32 0.15 -0.49 1.11 3.07 -1.98 -1.32 115.11 115.32 2k7r h GLN 18 Ca 0.05 -0.03 -0.06 0.00 0.09 0.00 0.00 58.65 58.70 2k7r h GLN 18 Cb 0.39 -0.02 -0.02 0.00 0.08 0.00 0.00 27.48 27.91 2k7r h GLN 18 CO -0.17 0.28 0.06 0.87 0.09 0.00 0.00 178.83 179.96 2k7r h LYS 19 N 0.14 0.77 0.03 0.06 1.57 -1.49 0.19 116.57 117.85 2k7r h LYS 19 Ca 0.03 -0.18 -0.00 0.00 -1.87 0.00 0.00 60.65 58.63 2k7r h LYS 19 Cb 0.32 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.52 2k7r h LYS 19 CO 0.02 0.74 -0.01 0.00 -0.57 0.00 0.00 179.45 179.63 2k7r h ARG 20 N 0.74 -0.04 -0.32 3.15 3.08 -0.97 -2.48 114.38 117.55 2k7r h ARG 20 Ca 0.15 0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.27 2k7r h ARG 20 Cb 0.36 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.36 2k7r h ARG 20 CO 0.01 0.53 -0.05 1.25 -1.07 0.00 0.00 179.97 180.64 2k7r h LEU 21 N -0.63 -0.23 -0.32 3.04 5.85 -0.89 0.90 115.31 123.02 2k7r h LEU 21 Ca -0.00 0.09 -0.20 0.00 0.84 0.00 0.00 57.88 58.61 2k7r h LEU 21 Cb 0.58 0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.77 2k7r h LEU 21 CO 0.01 -0.08 -0.82 -0.33 -0.34 0.00 0.00 178.44 176.88 2k7r h GLU 22 N 0.03 0.35 0.52 1.25 5.08 -0.75 -2.29 114.58 118.78 2k7r h GLU 22 Ca 0.15 -0.33 -0.03 0.00 -1.00 0.00 0.00 59.36 58.16 2k7r h GLU 22 Cb 0.22 0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.56 2k7r h GLU 22 CO -0.30 0.99 -0.25 0.37 -1.00 0.00 0.00 179.01 178.82 2k7r h GLN 23 N 0.22 -0.68 -0.69 2.33 4.15 -0.91 0.25 115.11 119.78 2k7r h GLN 23 Ca -0.05 0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.40 2k7r h GLN 23 Cb 1.42 0.15 -0.03 0.00 0.21 0.00 0.00 27.48 29.23 2k7r h GLN 23 CO 0.14 -0.39 0.35 0.00 -1.93 0.00 0.00 178.83 177.00 2k7r h MET 24 N -0.87 0.96 -0.31 1.69 -0.00 -0.92 0.20 114.93 115.69 2k7r h MET 24 Ca -0.07 -0.12 -0.06 0.00 -0.00 0.00 0.00 59.70 59.45 2k7r h MET 24 Cb 0.60 -0.19 -0.01 0.00 -0.00 0.00 0.00 31.60 32.01 2k7r h MET 24 CO 0.12 0.73 -0.04 -0.22 -0.00 0.00 0.00 176.91 177.49 2k7r h LYS 25 N 0.97 0.58 -0.50 -0.10 1.63 -1.32 -1.85 116.57 115.97 2k7r h LYS 25 Ca 0.24 -0.21 -0.07 0.00 -0.85 0.00 0.00 60.65 59.76 2k7r h LYS 25 Cb 0.07 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 31.63 2k7r h LYS 25 CO -0.04 0.74 0.02 1.49 -3.45 0.00 0.00 179.45 178.22 2k7r h GLU 26 N 0.36 0.82 -0.63 1.90 4.81 0.08 -0.97 114.58 120.95 2k7r h GLU 26 Ca 0.08 -0.21 0.04 0.00 -0.13 0.00 0.00 59.36 59.14 2k7r h GLU 26 Cb 0.51 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.75 2k7r h GLU 26 CO 0.02 0.81 0.37 0.87 -0.73 0.00 0.00 179.01 180.36 2k7r h LYS 27 N 0.77 0.70 -0.44 1.92 1.57 -0.45 0.22 116.57 120.86 2k7r h LYS 27 Ca 0.15 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.83 2k7r h LYS 27 Cb 0.43 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 2k7r h LYS 27 CO 0.02 0.46 0.01 0.28 -0.57 0.00 0.00 179.45 179.65 2k7r h VAL 28 N 0.72 1.23 -0.01 0.50 2.07 -0.78 -1.78 116.25 118.20 2k7r h VAL 28 Ca 0.26 -0.91 0.00 0.00 0.82 0.00 0.00 66.70 66.87 2k7r h VAL 28 Cb 0.07 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 2k7r h VAL 28 CO -0.13 0.32 0.00 0.23 0.02 0.00 0.00 177.57 178.01 2k7r n MET 29 N -4.24 1.33 -0.02 1.57 2.81 -0.42 -3.19 117.12 114.96 2k7r n MET 29 Ca 0.02 -0.48 -0.16 0.00 -1.81 0.00 0.00 57.70 55.27 2k7r n MET 29 Cb 0.27 -1.49 -0.14 0.00 -0.71 0.00 0.00 33.22 31.16 2k7r n MET 29 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 2k7r n LYS 30 N -0.41 0.70 -1.81 0.03 3.00 0.68 -4.96 118.16 115.40 2k7r n LYS 30 Ca 0.21 0.24 -0.42 0.00 -0.00 0.00 0.00 58.31 58.35 2k7r n LYS 30 Cb 0.23 -1.71 -0.03 0.00 0.00 0.00 0.00 35.03 33.53 2k7r n LYS 30 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 2k7r s ASP 31 N -6.57 6.52 0.22 3.14 2.15 -0.97 -4.89 116.67 116.27 2k7r s ASP 31 Ca -0.17 2.59 -0.08 0.00 0.43 0.00 0.00 52.55 55.32 2k7r s ASP 31 Cb 0.07 -2.55 0.19 0.00 -0.30 0.00 0.00 42.92 40.33 2k7r s ASP 31 CO 0.78 -0.97 1.88 1.56 -0.17 0.00 0.00 175.17 178.24 2k7r h GLN 32 N 9.03 1.14 -0.26 4.34 7.50 -1.92 -1.94 115.11 133.00 2k7r h GLN 32 Ca -0.45 -0.09 -0.01 0.00 0.50 0.00 0.00 58.65 58.59 2k7r h GLN 32 Cb 1.21 -0.24 -0.01 0.00 0.05 0.00 0.00 27.48 28.49 2k7r h GLN 32 CO 0.94 0.79 0.10 0.22 -1.50 0.00 0.00 178.83 179.39 2k7r h ASP 33 N 1.16 0.35 -0.47 1.46 3.58 -1.96 -1.80 116.42 118.73 2k7r h ASP 33 Ca 0.31 -0.16 0.07 0.00 0.42 0.00 0.00 57.03 57.66 2k7r h ASP 33 Cb -0.07 -0.09 -0.06 0.00 1.72 0.00 0.00 39.33 40.83 2k7r h ASP 33 CO -0.06 0.41 0.14 0.58 -2.88 0.00 0.00 179.24 177.43 2k7r h VAL 34 N 0.26 0.80 -0.81 2.25 2.07 -1.79 -2.50 116.25 116.54 2k7r h VAL 34 Ca 0.09 -0.10 -0.03 0.00 0.82 0.00 0.00 66.70 67.48 2k7r h VAL 34 Cb 0.17 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 30.38 2k7r h VAL 34 CO -0.01 0.05 0.39 1.56 0.02 0.00 0.00 177.57 179.59 2k7r h GLN 35 N 0.30 1.16 -0.99 1.57 4.20 -1.01 0.81 115.11 121.16 2k7r h GLN 35 Ca 0.23 -0.17 0.04 0.00 0.06 0.00 0.00 58.65 58.81 2k7r h GLN 35 Cb 0.26 -0.21 -0.06 0.00 0.30 0.00 0.00 27.48 27.77 2k7r h GLN 35 CO -0.26 0.89 0.64 0.00 -0.67 0.00 0.00 178.83 179.44 2k7r h ALA 36 N 1.21 1.31 -0.39 3.87 0.00 -1.03 0.13 119.26 124.36 2k7r h ALA 36 Ca 0.28 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.99 2k7r h ALA 36 Cb 0.11 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2k7r h ALA 36 CO -0.04 0.52 -0.36 0.35 0.00 0.00 0.00 179.25 179.72 2k7r h PHE 37 N 1.24 1.12 -0.41 0.00 3.57 -0.88 -2.71 116.94 118.86 2k7r h PHE 37 Ca 0.40 -0.33 -0.02 0.00 3.53 0.00 0.00 57.97 61.55 2k7r h PHE 37 Cb 0.02 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.50 2k7r h PHE 37 CO -0.00 1.15 0.17 -0.07 -2.23 0.00 0.00 178.31 177.33 2k7r h LEU 38 N 0.77 0.57 -1.20 0.59 -0.00 0.04 -0.17 115.31 115.91 2k7r h LEU 38 Ca 0.07 -0.16 -0.08 0.00 -0.00 0.00 0.00 57.88 57.71 2k7r h LEU 38 Cb 0.96 -0.15 -0.01 0.00 -0.00 0.00 0.00 40.66 41.46 2k7r h LEU 38 CO 0.09 0.57 -0.39 0.07 -0.00 0.00 0.00 178.44 178.79 2k7r h LYS 39 N 0.53 0.00 0.01 1.13 2.10 -0.79 0.20 116.57 119.75 2k7r h LYS 39 Ca 0.14 0.00 -0.22 0.00 -2.00 0.00 0.00 60.65 58.57 2k7r h LYS 39 Cb 0.18 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.48 2k7r h LYS 39 CO -0.01 0.39 -1.05 0.93 -2.00 0.00 0.00 179.45 177.70 2k7r h GLU 40 N 0.00 0.02 -0.04 0.07 3.07 -1.20 -3.35 114.58 113.16 2k7r h GLU 40 Ca -0.00 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 58.80 2k7r h GLU 40 Cb 0.72 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.64 2k7r h GLU 40 CO 0.05 1.00 -0.29 0.09 -1.40 0.00 0.00 179.01 178.45 2k7r n ASN 41 N -3.35 2.04 0.23 1.42 3.02 -0.10 -4.64 115.26 113.89 2k7r n ASN 41 Ca -0.01 -3.62 0.16 0.00 -0.03 0.00 0.00 54.58 51.08 2k7r n ASN 41 Cb 0.95 -0.51 0.76 0.00 -0.61 0.00 0.00 39.78 40.37 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 0.72 0.00 -0.07 3.52 4.11 -0.74 0.25 114.58 122.37 2k7r h GLU 42 Ca 0.02 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.33 2k7r h GLU 42 Cb 1.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 2k7r h GLU 42 CO 0.04 0.00 -0.47 1.49 0.07 0.00 0.00 179.01 180.13 2k7r h GLU 43 N 0.00 0.17 0.00 1.06 4.57 -1.85 -3.35 114.58 115.18 2k7r h GLU 43 Ca 0.00 -0.09 -0.22 0.00 -1.18 0.00 0.00 59.36 57.87 2k7r h GLU 43 Cb 0.24 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.79 2k7r h GLU 43 CO 0.00 0.61 -1.85 0.28 -1.18 0.00 0.00 179.01 176.87 2k7r n VAL 44 N -3.97 0.85 -2.65 0.32 0.31 -0.38 -4.99 118.33 107.83 2k7r n VAL 44 Ca -0.02 -0.41 -0.41 0.00 -0.01 0.00 0.00 64.34 63.49 2k7r n VAL 44 Cb 0.52 -0.88 -0.04 0.00 -0.91 0.00 0.00 33.84 32.52 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 -2.30 4.21 0.34 2.52 1.01 0.76 -5.05 121.20 122.69 2k7r s ILE 45 Ca -0.14 1.90 0.08 0.00 0.00 0.00 0.00 60.65 62.49 2k7r s ILE 45 Cb 0.05 -4.21 -0.04 0.00 0.01 0.00 0.00 42.46 38.26 2k7r s ILE 45 CO 0.42 0.32 0.14 -0.62 0.00 0.00 0.00 174.94 175.20 2k7r s ASP 46 N -0.17 4.70 0.30 3.58 -1.08 -1.26 -4.80 116.67 117.95 2k7r s ASP 46 Ca 0.47 -0.76 -0.01 0.00 -0.52 0.00 0.00 52.55 51.74 2k7r s ASP 46 Cb -0.26 -0.74 0.48 0.00 -1.46 0.00 0.00 42.92 40.94 2k7r s ASP 46 CO 0.32 -0.29 1.92 1.56 0.52 0.00 0.00 175.17 179.20 2k7r h GLN 47 N 1.54 0.92 -0.64 4.34 4.20 -2.00 -2.04 115.11 121.44 2k7r h GLN 47 Ca -0.44 -0.10 -0.03 0.00 0.06 0.00 0.00 58.65 58.13 2k7r h GLN 47 Cb 1.25 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 28.82 2k7r h GLN 47 CO 0.63 0.69 0.26 0.87 -0.67 0.00 0.00 178.83 180.61 2k7r h LYS 48 N 0.92 0.94 -0.82 1.46 1.79 -2.00 -2.07 116.57 116.80 2k7r h LYS 48 Ca 0.23 -0.17 0.08 0.00 -2.18 0.00 0.00 60.65 58.61 2k7r h LYS 48 Cb 0.05 -0.16 -0.07 0.00 -1.58 0.00 0.00 32.23 30.48 2k7r h LYS 48 CO -0.04 0.79 0.49 1.98 -1.08 0.00 0.00 179.45 181.59 2k7r h MET 49 N 0.89 0.83 -0.93 3.15 4.05 -1.78 -1.41 114.93 119.74 2k7r h MET 49 Ca 0.21 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.59 2k7r h MET 49 Cb 0.19 -0.19 -0.05 0.00 -0.80 0.00 0.00 31.60 30.76 2k7r h MET 49 CO -0.02 0.55 0.59 0.82 0.23 0.00 0.00 176.91 179.08 2k7r h ILE 50 N 0.86 1.24 -0.05 1.77 1.08 -0.71 -0.00 117.51 121.70 2k7r h ILE 50 Ca 0.38 -0.48 -0.01 0.00 -0.39 0.00 0.00 64.86 64.36 2k7r h ILE 50 Cb 0.26 -0.10 -0.00 0.00 -3.07 0.00 0.00 36.82 33.91 2k7r h ILE 50 CO -0.21 0.24 0.01 -0.33 -0.69 0.00 0.00 178.15 177.17 2k7r h GLU 51 N 1.26 0.09 -0.27 2.37 5.08 -0.91 -2.12 114.58 120.08 2k7r h GLU 51 Ca 0.34 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.67 2k7r h GLU 51 Cb -0.11 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 2k7r h GLU 51 CO -0.07 0.34 0.17 0.87 -1.00 0.00 0.00 179.01 179.32 2k7r h LYS 52 N -0.17 0.37 -0.67 2.33 1.79 -0.84 -2.50 116.57 116.88 2k7r h LYS 52 Ca 0.02 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 2k7r h LYS 52 Cb 0.30 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 30.87 2k7r h LYS 52 CO 0.00 0.28 0.00 -1.13 -1.08 0.00 0.00 179.45 177.52 2k7r n SER 53 N -4.87 3.71 -0.13 0.86 3.41 -0.06 -4.40 113.62 112.15 2k7r n SER 53 Ca -0.02 -2.46 -0.04 0.00 -0.26 0.00 0.00 58.87 56.09 2k7r n SER 53 Cb 0.04 -0.55 0.03 0.00 -0.26 0.00 0.00 64.21 63.47 2k7r n SER 53 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2k7r h LEU 54 N 2.63 -0.28 -0.69 1.04 6.46 -0.90 0.24 115.31 123.81 2k7r h LEU 54 Ca 0.00 0.11 -0.02 0.00 -0.12 0.00 0.00 57.88 57.86 2k7r h LEU 54 Cb 1.27 0.21 -0.03 0.00 -0.73 0.00 0.00 40.66 41.38 2k7r h LEU 54 CO 0.25 -0.09 0.37 -0.55 -0.62 0.00 0.00 178.44 177.79 2k7r h ASN 55 N 0.05 0.87 0.13 1.25 7.08 -1.82 -0.18 115.58 122.97 2k7r h ASN 55 Ca 0.20 -0.10 -0.01 0.00 -3.08 0.00 0.00 56.30 53.32 2k7r h ASN 55 Cb 0.31 -0.22 0.00 0.00 -2.08 0.00 0.00 38.32 36.32 2k7r h ASN 55 CO -0.39 0.72 -0.06 0.11 -2.08 0.00 0.00 177.43 175.74 2k7r h LYS 56 N 0.95 -0.17 -0.68 4.14 1.79 -1.50 0.11 116.57 121.21 2k7r h LYS 56 Ca 0.24 0.01 0.01 0.00 -2.18 0.00 0.00 60.65 58.73 2k7r h LYS 56 Cb 0.05 0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 30.71 2k7r h LYS 56 CO -0.04 -0.06 0.45 -0.07 -1.08 0.00 0.00 179.45 178.65 2k7r h LEU 57 N -0.23 0.77 -0.45 2.94 -0.00 -0.46 -1.21 115.31 116.67 2k7r h LEU 57 Ca -0.02 -0.02 -0.07 0.00 -0.00 0.00 0.00 57.88 57.77 2k7r h LEU 57 Cb 0.18 -0.19 -0.02 0.00 -0.00 0.00 0.00 40.66 40.63 2k7r h LEU 57 CO 0.03 0.56 -0.00 0.22 -0.00 0.00 0.00 178.44 179.25 2k7r h TYR 58 N 0.91 0.88 -0.66 1.13 3.20 -0.84 -1.65 116.97 119.94 2k7r h TYR 58 Ca 0.25 -0.15 0.02 0.00 3.14 0.00 0.00 58.73 61.98 2k7r h TYR 58 Cb -0.10 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 37.90 2k7r h TYR 58 CO -0.03 0.85 0.44 1.49 -1.64 0.00 0.00 178.16 179.27 2k7r h GLU 59 N 0.65 0.84 -0.25 1.82 4.57 -0.52 -2.05 114.58 119.64 2k7r h GLU 59 Ca 0.13 -0.05 -0.05 0.00 -1.18 0.00 0.00 59.36 58.20 2k7r h GLU 59 Cb 0.50 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 28.89 2k7r h GLU 59 CO 0.02 0.55 -0.05 -0.92 -1.18 0.00 0.00 179.01 177.44 2k7r h TYR 60 N 0.86 0.54 -0.00 0.92 3.20 -0.65 -2.33 116.97 119.51 2k7r h TYR 60 Ca 0.25 -0.11 -0.17 0.00 3.14 0.00 0.00 58.73 61.83 2k7r h TYR 60 Cb -0.04 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.08 2k7r h TYR 60 CO -0.00 0.69 -0.80 -0.84 -1.64 0.00 0.00 178.16 175.57 2k7r h ILE 61 N 0.23 1.51 0.00 1.81 3.07 -1.04 -3.20 117.51 119.90 2k7r h ILE 61 Ca 0.07 -2.57 -0.15 0.00 1.55 0.00 0.00 64.86 63.75 2k7r h ILE 61 Cb 0.51 2.40 -0.02 0.00 -0.27 0.00 0.00 36.82 39.44 2k7r h ILE 61 CO 0.02 0.74 -0.79 -0.33 -1.05 0.00 0.00 178.15 176.75 2k7r h GLU 62 N 0.06 0.00 -7.71 0.16 4.39 -1.41 -3.46 114.58 106.60 2k7r h GLU 62 Ca -0.02 0.00 -0.46 0.00 0.34 0.00 0.00 59.36 59.22 2k7r h GLU 62 Cb 1.40 0.00 0.13 0.00 -0.10 0.00 0.00 28.75 30.18 2k7r h GLU 62 CO 0.11 0.67 0.41 1.14 -1.16 0.00 0.00 179.01 180.18 2k7r s GLN 63 N -2.85 1.32 -0.28 2.33 -2.07 -0.88 -4.99 119.66 112.23 2k7r s GLN 63 Ca 0.02 -0.17 -0.29 0.00 -1.82 0.00 0.00 55.36 53.11 2k7r s GLN 63 Cb 0.09 -1.91 0.00 0.00 -1.09 0.00 0.00 33.01 30.10 2k7r s GLN 63 CO 0.78 -1.99 1.24 -1.12 -1.32 0.00 0.00 175.29 172.89 2k7r s SER 64 N -4.73 6.77 0.05 12.60 0.01 -1.26 -4.89 113.70 122.25 2k7r s SER 64 Ca 0.68 1.24 -0.05 0.00 1.31 0.00 0.00 55.95 59.12 2k7r s SER 64 Cb -0.07 -2.54 -0.29 0.00 0.21 0.00 0.00 66.02 63.32 2k7r s SER 64 CO 0.51 -0.99 1.06 0.11 0.41 0.00 0.00 173.24 174.34 2k7r h LYS 65 N 8.86 0.30 0.00 12.44 1.57 -1.92 -3.42 116.57 134.40 2k7r h LYS 65 Ca -0.25 -0.51 -0.31 0.00 -1.87 0.00 0.00 60.65 57.71 2k7r h LYS 65 Cb 1.09 0.19 0.13 0.00 0.08 0.00 0.00 32.23 33.72 2k7r h LYS 65 CO 1.02 1.22 0.30 0.27 -0.57 0.00 0.00 179.45 181.70 2k7r n ASN 66 N -3.54 0.04 -3.73 0.86 6.94 -1.26 -4.25 115.26 110.33 2k7r n ASN 66 Ca -0.11 -1.34 -0.11 0.00 -0.02 0.00 0.00 54.58 53.00 2k7r n ASN 66 Cb 1.04 -0.73 -0.07 0.00 -2.36 0.00 0.00 39.78 37.66 2k7r n ASN 66 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2k7r h SER 68 N 2.92 0.00 0.18 0.00 0.87 -1.88 0.01 113.55 115.64 2k7r h SER 68 Ca -0.33 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.23 2k7r h SER 68 Cb 1.21 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 2k7r h SER 68 CO 0.47 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 176.77 2k7r n TYR 69 N -2.93 0.00 0.00 2.24 4.19 -1.26 -3.98 117.16 115.42 2k7r n TYR 69 Ca -0.00 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.21 2k7r n TYR 69 Cb 0.22 -0.11 0.00 0.00 0.49 0.00 0.00 39.34 39.94 2k7r n TYR 69 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 2k7r s SER 71 N -4.08 6.78 0.00 0.00 1.04 -0.17 -4.95 113.70 112.32 2k7r s SER 71 Ca 0.00 1.60 0.28 0.00 0.48 0.00 0.00 55.95 58.31 2k7r s SER 71 Cb 0.00 -2.51 1.11 0.00 0.10 0.00 0.00 66.02 64.72 2k7r s SER 71 CO 0.00 -0.45 1.84 -1.84 0.98 0.00 0.00 173.24 173.76 2k7r n GLU 72 N -1.05 0.02 -1.54 4.02 0.28 -1.26 -4.60 120.64 116.51 2k7r n GLU 72 Ca 0.06 -0.00 -0.47 0.00 -0.16 0.00 0.00 57.16 56.59 2k7r n GLU 72 Cb 0.54 -1.50 -0.05 0.00 1.43 0.00 0.00 31.44 31.86 2k7r n GLU 72 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2k7r n ASP 73 N -1.48 2.78 0.26 -1.84 9.92 -1.26 -4.81 116.55 120.12 2k7r n ASP 73 Ca 0.07 0.43 0.14 0.00 -0.53 0.00 0.00 54.79 54.91 2k7r n ASP 73 Cb 0.34 -1.39 0.60 0.00 -0.64 0.00 0.00 41.12 40.03 2k7r n ASP 73 CO 0.00 0.00 0.00 1.05 0.13 0.00 0.00 177.20 178.38 2k7r h GLU 74 N 12.83 0.00 -0.13 -1.24 4.11 -1.98 -2.54 114.58 125.63 2k7r h GLU 74 Ca -0.36 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.07 2k7r h GLU 74 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 2k7r h GLU 74 CO 0.98 0.09 0.00 0.27 0.07 0.00 0.00 179.01 180.43 2k7r n ASN 75 N -3.23 1.22 -4.63 3.06 0.23 -1.26 -4.86 115.26 105.78 2k7r n ASN 75 Ca 0.00 -1.66 -0.43 0.00 -0.53 0.00 0.00 54.58 51.96 2k7r n ASN 75 Cb 0.35 -0.08 -0.03 0.00 -2.08 0.00 0.00 39.78 37.94 2k7r n ASN 75 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2k7r s ASN 77 N 4.47 3.60 0.25 0.00 2.20 -1.26 -4.83 114.94 119.37 2k7r s ASN 77 Ca 0.73 -0.44 -0.22 0.00 -0.94 0.00 0.00 52.86 51.99 2k7r s ASN 77 Cb -0.25 -0.53 0.03 0.00 -2.00 0.00 0.00 41.25 38.50 2k7r s ASN 77 CO 0.30 0.27 0.72 0.21 -2.94 0.00 0.00 177.10 175.66 2k7r s ASN 78 N -1.23 -0.30 0.00 3.54 3.84 -1.26 -4.60 114.94 114.93 2k7r s ASN 78 Ca 0.13 -0.50 0.00 0.00 0.21 0.00 0.00 52.86 52.70 2k7r s ASN 78 Cb -0.10 0.69 0.00 0.00 -0.55 0.00 0.00 41.25 41.29 2k7r s ASN 78 CO 0.03 -1.26 0.13 0.18 -2.79 0.00 0.00 177.10 173.39 2k7r n LEU 79 N -0.45 2.11 -4.46 3.21 4.77 -1.26 -4.53 117.00 116.39 2k7r n LEU 79 Ca -0.06 0.16 -0.43 0.00 -0.03 0.00 0.00 56.01 55.64 2k7r n LEU 79 Cb 0.60 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.62 2k7r n LEU 79 CO 0.14 -0.04 0.93 -0.76 -1.33 0.00 0.00 177.39 176.33 2k7r s LEU 80 N -1.23 4.69 0.50 2.23 1.02 -1.26 -5.03 118.68 119.60 2k7r s LEU 80 Ca 0.00 -1.60 -0.19 0.00 0.02 0.00 0.00 54.13 52.36 2k7r s LEU 80 Cb 0.00 -2.42 -0.08 0.00 0.02 0.00 0.00 46.19 43.71 2k7r s LEU 80 CO 0.00 -1.24 1.02 -1.61 0.02 0.00 0.00 176.35 174.54 2k7r s GLU 81 N 3.37 3.78 0.00 1.70 0.41 -1.26 -2.67 118.70 124.03 2k7r s GLU 81 Ca 0.29 1.24 0.00 0.00 -0.41 0.00 0.00 54.97 56.10 2k7r s GLU 81 Cb -0.09 -2.10 0.00 0.00 -1.78 0.00 0.00 34.13 30.16 2k7r s GLU 81 CO -0.02 -0.43 0.00 0.41 -0.49 0.00 0.00 175.26 174.73 2k7r n GLY 82 N -0.62 1.86 3.60 -1.39 0.00 -1.26 -5.02 105.19 102.37 2k7r n GLY 82 Ca 0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.65 2.22 0.03 1.61 1.51 -1.09 -1.16 117.35 117.82 2k7r s TYR 83 Ca 0.00 -0.83 0.05 0.00 -1.01 0.00 0.00 57.07 55.28 2k7r s TYR 83 Cb 0.00 -1.60 -0.02 0.00 -0.11 0.00 0.00 41.96 40.23 2k7r s TYR 83 CO 0.00 0.26 -0.15 -1.01 -1.11 0.00 0.00 175.55 173.54 2k7r s HIS 84 N -2.91 1.34 0.07 2.71 3.76 0.04 -4.60 115.29 115.70 2k7r s HIS 84 Ca 0.29 -0.33 -0.30 0.00 -0.15 0.00 0.00 55.06 54.56 2k7r s HIS 84 Cb 0.08 -0.81 -0.05 0.00 1.11 0.00 0.00 32.58 32.90 2k7r s HIS 84 CO 0.14 0.03 1.15 -1.25 -0.85 0.00 0.00 174.74 173.96 2k7r s PRO 85 N -0.97 4.47 0.04 8.40 0.04 -1.26 -1.07 135.00 144.65 2k7r s PRO 85 Ca 0.03 1.70 0.03 0.00 0.04 0.00 0.00 61.00 62.80 2k7r s PRO 85 Cb -0.07 -3.36 -0.02 0.00 0.04 0.00 0.00 34.50 31.09 2k7r s PRO 85 CO 0.01 -0.18 -0.09 -1.59 0.04 0.00 0.00 177.00 175.19 2k7r s LYS 86 N 0.86 0.57 0.25 4.56 -2.85 0.88 -4.96 119.74 119.05 2k7r s LYS 86 Ca 0.56 -0.71 -0.27 0.00 -1.00 0.00 0.00 55.97 54.55 2k7r s LYS 86 Cb -0.28 -0.41 -0.09 0.00 -2.06 0.00 0.00 37.83 34.99 2k7r s LYS 86 CO 0.30 0.09 0.89 -0.51 0.10 0.00 0.00 175.35 176.21 2k7r s LEU 87 N -1.39 4.53 0.07 2.77 1.43 -1.26 -1.51 118.68 123.30 2k7r s LEU 87 Ca -0.07 1.82 0.02 0.00 -1.03 0.00 0.00 54.13 54.87 2k7r s LEU 87 Cb -0.09 -3.66 -0.03 0.00 0.03 0.00 0.00 46.19 42.44 2k7r s LEU 87 CO 0.01 0.09 -0.07 0.68 0.23 0.00 0.00 176.35 177.29 2k7r s VAL 88 N -1.33 0.60 -0.31 -1.59 -7.23 0.30 -4.93 120.40 105.92 2k7r s VAL 88 Ca 0.43 -1.44 -0.08 0.00 -1.81 0.00 0.00 61.98 59.08 2k7r s VAL 88 Cb -0.23 -1.06 0.01 0.00 0.56 0.00 0.00 36.38 35.66 2k7r s VAL 88 CO 0.28 -0.59 0.11 0.54 -0.31 0.00 0.00 175.10 175.13 2k7r s VAL 89 N -2.33 4.17 -0.31 1.32 0.11 -1.26 0.22 120.40 122.31 2k7r s VAL 89 Ca -0.01 -0.69 0.01 0.00 -2.93 0.00 0.00 61.98 58.37 2k7r s VAL 89 Cb -0.03 -3.18 0.09 0.00 -1.53 0.00 0.00 36.38 31.72 2k7r s VAL 89 CO -0.02 0.02 0.05 0.20 -3.33 0.00 0.00 175.10 172.02 2k7r s ASN 90 N 1.52 4.29 1.61 3.54 0.01 0.42 -4.98 114.94 121.36 2k7r s ASN 90 Ca 0.03 -1.76 0.00 0.00 -0.71 0.00 0.00 52.86 50.42 2k7r s ASN 90 Cb -0.18 -1.24 0.00 0.00 0.41 0.00 0.00 41.25 40.25 2k7r s ASN 90 CO 0.04 -0.37 0.00 0.61 -1.51 0.00 0.00 177.10 175.87 2k7r n GLY 91 N 4.57 3.25 1.41 0.66 0.00 -1.26 -1.78 105.19 112.05 2k7r n GLY 91 Ca -0.02 -0.05 0.08 0.00 0.00 0.00 0.00 46.02 46.03 2k7r n GLY 91 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2k7r n ARG 92 N 11.25 3.94 -4.11 1.61 3.00 -1.26 -4.92 116.66 126.16 2k7r n ARG 92 Ca 0.00 -2.99 -0.17 0.00 -0.00 0.00 0.00 57.85 54.69 2k7r n ARG 92 Cb 0.00 -2.05 -0.15 0.00 0.00 0.00 0.00 32.46 30.26 2k7r n ARG 92 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2k7r s SER 93 N -1.31 0.61 -0.26 6.15 0.15 -0.73 -4.85 113.70 113.45 2k7r s SER 93 Ca 0.48 -0.09 -0.20 0.00 0.70 0.00 0.00 55.95 56.85 2k7r s SER 93 Cb 0.37 -0.16 -0.02 0.00 -1.71 0.00 0.00 66.02 64.51 2k7r s SER 93 CO 0.13 0.01 0.64 -0.63 1.20 0.00 0.00 173.24 174.59 2k7r s ILE 94 N 0.25 4.97 0.52 6.45 1.01 -1.26 -0.44 121.20 132.70 2k7r s ILE 94 Ca -0.03 1.10 0.04 0.00 0.00 0.00 0.00 60.65 61.76 2k7r s ILE 94 Cb -0.06 -3.95 0.01 0.00 0.01 0.00 0.00 42.46 38.47 2k7r s ILE 94 CO -0.00 -0.01 0.25 -0.62 0.00 0.00 0.00 174.94 174.56 2k7r s ASP 95 N 1.50 4.45 -0.14 3.58 -1.08 0.13 -4.80 116.67 120.31 2k7r s ASP 95 Ca 0.26 -1.37 -0.01 0.00 -0.52 0.00 0.00 52.55 50.92 2k7r s ASP 95 Cb -0.15 0.37 0.04 0.00 -1.46 0.00 0.00 42.92 41.72 2k7r s ASP 95 CO 0.09 -0.97 -0.03 -0.63 0.52 0.00 0.00 175.17 174.15 2k7r s ILE 96 N -2.79 0.82 0.32 4.11 1.01 -1.26 -0.54 121.20 122.87 2k7r s ILE 96 Ca 0.25 -0.40 0.10 0.00 0.00 0.00 0.00 60.65 60.60 2k7r s ILE 96 Cb -0.00 -1.03 -0.06 0.00 0.01 0.00 0.00 42.46 41.37 2k7r s ILE 96 CO 0.15 0.13 -0.10 -1.83 0.00 0.00 0.00 174.94 173.28 2k7r s GLU 97 N 1.76 1.84 -0.08 2.79 -1.05 -0.57 -4.90 118.70 118.50 2k7r s GLU 97 Ca 0.02 -1.83 -0.03 0.00 -0.15 0.00 0.00 54.97 52.97 2k7r s GLU 97 Cb -0.15 -1.78 -0.04 0.00 -0.44 0.00 0.00 34.13 31.73 2k7r s GLU 97 CO -0.07 0.21 0.07 0.71 0.95 0.00 0.00 175.26 177.12 2k7r s TYR 98 N -2.55 3.34 0.08 4.83 1.51 -1.26 -0.09 117.35 123.22 2k7r s TYR 98 Ca 0.32 0.31 0.09 0.00 -1.01 0.00 0.00 57.07 56.78 2k7r s TYR 98 Cb -0.01 -1.83 -0.04 0.00 -0.11 0.00 0.00 41.96 39.98 2k7r s TYR 98 CO 0.17 0.58 -0.21 1.52 -1.11 0.00 0.00 175.55 176.49 2k7r s TYR 99 N -1.00 2.46 0.11 2.71 1.13 -0.23 -4.88 117.35 117.64 2k7r s TYR 99 Ca 0.16 -0.31 -0.31 0.00 -1.41 0.00 0.00 57.07 55.20 2k7r s TYR 99 Cb -0.12 -1.37 -0.10 0.00 -1.10 0.00 0.00 41.96 39.28 2k7r s TYR 99 CO 0.06 0.29 1.73 -1.21 -2.51 0.00 0.00 175.55 173.90 2k7r s GLU 100 N -1.76 4.17 0.12 -3.49 2.02 -1.26 -0.78 118.70 117.73 2k7r s GLU 100 Ca 0.15 2.47 -0.35 0.00 0.02 0.00 0.00 54.97 57.26 2k7r s GLU 100 Cb -0.10 -3.53 -0.17 0.00 0.10 0.00 0.00 34.13 30.43 2k7r s GLU 100 CO 0.06 -0.77 1.21 0.00 0.02 0.00 0.00 175.26 175.78 2k7r h PRO 102 N 3.74 0.00 0.00 0.00 0.13 -1.90 0.39 132.00 134.35 2k7r h PRO 102 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2k7r h PRO 102 Cb 1.35 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.48 2k7r h PRO 102 CO 0.72 0.00 -0.01 0.28 -0.23 0.00 0.00 178.00 178.76 2k7r h VAL 103 N 0.00 0.00 0.12 1.56 2.07 -1.88 -3.23 116.25 114.89 2k7r h VAL 103 Ca 0.20 -0.79 -0.28 0.00 0.82 0.00 0.00 66.70 66.64 2k7r h VAL 103 Cb 0.82 1.78 -0.00 0.00 -1.52 0.00 0.00 31.29 32.37 2k7r h VAL 103 CO -0.00 0.00 -1.34 0.50 0.02 0.00 0.00 177.57 176.75 2k7r h LYS 104 N 0.00 0.25 -6.12 1.57 3.11 -0.52 -3.41 116.57 111.44 2k7r h LYS 104 Ca 0.00 -0.42 -0.51 0.00 -2.81 0.00 0.00 60.65 56.91 2k7r h LYS 104 Cb 0.90 0.16 -0.05 0.00 -1.00 0.00 0.00 32.23 32.23 2k7r h LYS 104 CO 0.00 1.16 1.23 1.03 -2.81 0.00 0.00 179.45 180.06 2k7r s ARG 105 N -2.64 2.85 0.00 1.90 0.52 -0.79 -5.01 118.95 115.78 2k7r s ARG 105 Ca -0.05 0.24 0.00 0.00 -0.52 0.00 0.00 55.73 55.39 2k7r s ARG 105 Cb 0.07 -4.34 0.00 0.00 0.52 0.00 0.00 34.95 31.20 2k7r s ARG 105 CO 0.87 -2.52 0.02 0.36 0.02 0.00 0.00 175.30 174.05