#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d2r s LEU 5 N 0.00 4.37 -0.14 1.09 2.96 -1.26 -4.83 118.68 120.88 2d2r s LEU 5 Ca 0.00 -0.56 0.03 0.00 -0.22 0.00 0.00 54.13 53.39 2d2r s LEU 5 Cb 0.00 -2.69 -0.11 0.00 0.50 0.00 0.00 46.19 43.89 2d2r s LEU 5 CO 0.00 -1.14 -0.09 0.29 -1.32 0.00 0.00 176.35 174.09 2d2r n LYS 6 N 7.10 0.77 -3.99 1.98 5.02 -1.26 -4.70 118.16 123.08 2d2r n LYS 6 Ca -0.01 0.06 -0.30 0.00 -2.02 0.00 0.00 58.31 56.04 2d2r n LYS 6 Cb 0.47 -1.30 -0.16 0.00 -0.02 0.00 0.00 35.03 34.02 2d2r n LYS 6 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 2d2r s HIS 7 N -2.29 2.28 -0.13 2.13 5.04 -1.26 -0.85 115.29 120.21 2d2r s HIS 7 Ca -0.17 -1.45 -0.04 0.00 -1.54 0.00 0.00 55.06 51.87 2d2r s HIS 7 Cb 0.05 -1.59 -0.03 0.00 0.04 0.00 0.00 32.58 31.04 2d2r s HIS 7 CO 0.37 -0.71 0.01 -1.17 -2.34 0.00 0.00 174.74 170.90 2d2r s LEU 8 N 1.44 3.58 0.02 8.88 2.96 -0.88 -0.60 118.68 134.08 2d2r s LEU 8 Ca 0.00 0.07 0.07 0.00 -0.22 0.00 0.00 54.13 54.06 2d2r s LEU 8 Cb -0.15 -1.85 -0.02 0.00 0.50 0.00 0.00 46.19 44.66 2d2r s LEU 8 CO -0.09 0.28 -0.21 0.00 -1.32 0.00 0.00 176.35 175.01 2d2r s ALA 9 N -0.29 1.76 -0.02 5.97 0.00 -0.44 -1.33 121.76 127.40 2d2r s ALA 9 Ca 0.07 -1.00 0.01 0.00 0.00 0.00 0.00 51.96 51.03 2d2r s ALA 9 Cb -0.12 -0.38 0.02 0.00 0.00 0.00 0.00 23.12 22.63 2d2r s ALA 9 CO 0.02 0.41 -0.02 0.42 0.00 0.00 0.00 175.76 176.59 2d2r s ILE 10 N -0.68 0.30 -0.40 0.00 1.01 0.37 -0.64 121.20 121.16 2d2r s ILE 10 Ca 0.08 -0.04 -0.18 0.00 0.00 0.00 0.00 60.65 60.51 2d2r s ILE 10 Cb -0.08 -0.33 0.01 0.00 0.01 0.00 0.00 42.46 42.07 2d2r s ILE 10 CO 0.01 0.14 0.47 -0.63 0.00 0.00 0.00 174.94 174.93 2d2r s ILE 11 N 0.62 5.05 -0.54 2.92 1.01 0.12 -1.42 121.20 128.95 2d2r s ILE 11 Ca -0.07 -0.13 -0.22 0.00 0.00 0.00 0.00 60.65 60.23 2d2r s ILE 11 Cb -0.10 -4.02 0.05 0.00 0.01 0.00 0.00 42.46 38.39 2d2r s ILE 11 CO -0.01 -0.38 0.84 -0.04 0.00 0.00 0.00 174.94 175.36 2d2r s MET 12 N 2.26 3.26 0.09 2.79 -1.94 -0.49 -1.97 119.30 123.30 2d2r s MET 12 Ca 0.15 -0.49 0.05 0.00 -1.71 0.00 0.00 55.69 53.68 2d2r s MET 12 Cb -0.16 -4.08 -0.03 0.00 2.01 0.00 0.00 34.83 32.57 2d2r s MET 12 CO 0.14 -1.42 -0.12 0.34 -0.01 0.00 0.00 175.02 173.95 2d2r s ASP 13 N 2.83 1.64 0.00 3.03 2.15 -1.25 -4.87 116.67 120.21 2d2r s ASP 13 Ca 0.25 -0.73 0.00 0.00 0.43 0.00 0.00 52.55 52.50 2d2r s ASP 13 Cb -0.15 -0.03 0.00 0.00 -0.30 0.00 0.00 42.92 42.44 2d2r s ASP 13 CO 0.16 -0.17 0.00 0.61 -0.17 0.00 0.00 175.17 175.61 2d2r n GLY 14 N 0.83 0.98 0.10 2.66 0.00 -1.26 -1.59 105.19 106.91 2d2r n GLY 14 Ca -0.18 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.73 2d2r n GLY 14 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2d2r h ASN 15 N 0.00 0.20 -0.30 1.61 2.35 -1.89 -0.45 115.58 117.11 2d2r h ASN 15 Ca 0.00 -0.19 -0.08 0.00 -0.55 0.00 0.00 56.30 55.47 2d2r h ASN 15 Cb 0.00 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 2d2r h ASN 15 CO 0.00 0.34 -0.14 1.23 -1.65 0.00 0.00 177.43 177.21 2d2r h GLY 16 N 0.05 0.67 1.51 2.83 0.00 -1.90 -1.51 103.07 104.73 2d2r h GLY 16 Ca 0.05 -0.61 -0.04 0.00 0.00 0.00 0.00 47.33 46.74 2d2r h GLY 16 CO -0.00 0.55 0.11 -0.09 0.00 0.00 0.00 176.54 177.11 2d2r h ARG 17 N 0.37 0.62 -0.30 4.80 2.43 -1.98 -1.79 114.38 118.55 2d2r h ARG 17 Ca 0.07 -0.10 -0.04 0.00 -0.81 0.00 0.00 59.98 59.09 2d2r h ARG 17 Cb 0.66 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.10 2d2r h ARG 17 CO 0.04 0.56 0.03 2.35 -1.51 0.00 0.00 179.97 181.45 2d2r h TRP 18 N 0.61 0.54 -0.36 2.20 7.01 -0.97 -1.75 115.95 123.23 2d2r h TRP 18 Ca 0.14 -0.08 -0.09 0.00 2.11 0.00 0.00 58.89 60.97 2d2r h TRP 18 Cb 0.21 -0.14 -0.02 0.00 -2.10 0.00 0.00 29.16 27.11 2d2r h TRP 18 CO 0.01 0.61 -0.14 0.00 -2.79 0.00 0.00 178.44 176.13 2d2r h ALA 19 N 0.86 1.08 -0.31 2.65 0.00 -0.81 -2.57 119.26 120.17 2d2r h ALA 19 Ca 0.09 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.56 2d2r h ALA 19 Cb 0.37 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2d2r h ALA 19 CO 0.01 0.56 -0.33 1.57 0.00 0.00 0.00 179.25 181.06 2d2r h LYS 20 N 0.59 0.67 -0.88 0.00 2.10 -1.20 0.96 116.57 118.81 2d2r h LYS 20 Ca 0.10 -0.31 -0.01 0.00 -2.00 0.00 0.00 60.65 58.43 2d2r h LYS 20 Cb 0.58 -0.01 -0.04 0.00 -0.90 0.00 0.00 32.23 31.86 2d2r h LYS 20 CO 0.04 0.91 0.51 1.25 -2.00 0.00 0.00 179.45 180.15 2d2r h LEU 21 N 0.57 1.08 -0.38 7.07 5.85 -1.08 -2.66 115.31 125.77 2d2r h LEU 21 Ca 0.06 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.70 2d2r h LEU 21 Cb 0.84 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.60 2d2r h LEU 21 CO 0.07 0.86 -0.09 0.29 -0.34 0.00 0.00 178.44 179.22 2d2r n LYS 22 N -4.37 0.94 -3.59 1.25 4.76 -0.95 -4.91 118.16 111.29 2d2r n LYS 22 Ca 0.09 -0.38 -0.21 0.00 -2.87 0.00 0.00 58.31 54.94 2d2r n LYS 22 Cb 0.08 -1.49 0.07 0.00 -1.84 0.00 0.00 35.03 31.84 2d2r n LYS 22 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2d2r n ASN 23 N -0.70 -3.27 -4.51 4.39 5.15 -0.24 -4.99 115.26 111.09 2d2r n ASN 23 Ca 0.16 -0.66 -0.24 0.00 -0.60 0.00 0.00 54.58 53.24 2d2r n ASN 23 Cb 0.28 -4.73 -0.10 0.00 -0.53 0.00 0.00 39.78 34.70 2d2r n ASN 23 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2d2r s LYS 24 N -5.88 1.78 0.46 1.20 1.02 0.17 -5.03 119.74 113.46 2d2r s LYS 24 Ca 0.23 -1.77 -0.22 0.00 0.02 0.00 0.00 55.97 54.22 2d2r s LYS 24 Cb -0.10 -1.80 -0.08 0.00 -0.52 0.00 0.00 37.83 35.33 2d2r s LYS 24 CO 0.76 0.29 1.12 0.00 -0.92 0.00 0.00 175.35 176.60 2d2r s ALA 25 N -2.51 2.94 0.31 5.17 0.00 -1.26 -4.39 121.76 122.01 2d2r s ALA 25 Ca 0.31 0.84 0.06 0.00 0.00 0.00 0.00 51.96 53.16 2d2r s ALA 25 Cb -0.03 -3.34 0.84 0.00 0.00 0.00 0.00 23.12 20.58 2d2r s ALA 25 CO 0.16 -0.55 1.63 0.00 0.00 0.00 0.00 175.76 177.00 2d2r h ARG 26 N 1.94 0.16 -0.69 0.00 2.47 -1.93 0.14 114.38 116.47 2d2r h ARG 26 Ca -0.49 -0.01 0.12 0.00 -1.26 0.00 0.00 59.98 58.34 2d2r h ARG 26 Cb 1.24 -0.04 -0.04 0.00 -1.65 0.00 0.00 29.97 29.48 2d2r h ARG 26 CO 0.60 0.11 0.46 0.00 0.56 0.00 0.00 179.97 181.70 2d2r h ALA 27 N 1.85 2.05 -0.53 0.04 0.00 -1.97 0.83 119.26 121.53 2d2r h ALA 27 Ca 0.62 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.41 2d2r h ALA 27 Cb 1.33 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 2d2r h ALA 27 CO -0.71 -0.23 -0.11 -0.92 0.00 0.00 0.00 179.25 177.28 2d2r h TYR 28 N 0.43 1.13 -0.04 0.00 3.20 -1.08 0.76 116.97 121.36 2d2r h TYR 28 Ca 0.33 -0.24 -0.09 0.00 3.14 0.00 0.00 58.73 61.87 2d2r h TYR 28 Cb 0.70 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.68 2d2r h TYR 28 CO -0.00 1.05 -0.40 0.78 -1.64 0.00 0.00 178.16 177.96 2d2r h GLY 29 N 0.88 0.10 1.25 1.82 0.00 -0.83 -1.01 103.07 105.27 2d2r h GLY 29 Ca 0.13 -0.09 -0.26 0.00 0.00 0.00 0.00 47.33 47.12 2d2r h GLY 29 CO 0.05 0.08 -1.01 0.45 0.00 0.00 0.00 176.54 176.11 2d2r h HIS 30 N 0.08 1.01 -0.62 5.60 3.86 -0.82 -0.67 115.15 123.58 2d2r h HIS 30 Ca 0.01 -0.54 -0.03 0.00 -1.16 0.00 0.00 60.37 58.65 2d2r h HIS 30 Cb 0.74 -0.12 -0.03 0.00 1.06 0.00 0.00 27.41 29.06 2d2r h HIS 30 CO 0.00 1.37 0.27 -0.22 0.86 0.00 0.00 177.93 180.22 2d2r h LYS 31 N 0.39 0.92 -0.75 2.45 3.64 -0.63 0.30 116.57 122.89 2d2r h LYS 31 Ca -0.12 -0.15 -0.06 0.00 -1.27 0.00 0.00 60.65 59.05 2d2r h LYS 31 Cb 1.66 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 33.29 2d2r h LYS 31 CO 0.20 0.76 0.23 0.87 -2.27 0.00 0.00 179.45 179.23 2d2r h LYS 32 N 0.86 1.17 -0.75 1.90 1.79 -1.09 -2.42 116.57 118.04 2d2r h LYS 32 Ca 0.21 -0.25 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 2d2r h LYS 32 Cb 0.16 -0.17 -0.04 0.00 -1.58 0.00 0.00 32.23 30.61 2d2r h LYS 32 CO -0.02 0.99 0.47 0.78 -1.08 0.00 0.00 179.45 180.59 2d2r h GLY 33 N 1.12 1.06 1.51 3.86 0.00 -0.43 -0.83 103.07 109.37 2d2r h GLY 33 Ca 0.24 -0.42 -0.10 0.00 0.00 0.00 0.00 47.33 47.06 2d2r h GLY 33 CO -0.01 0.41 -0.21 -2.08 0.00 0.00 0.00 176.54 174.65 2d2r h VAL 34 N 1.02 1.26 -0.56 4.60 2.07 -0.56 0.43 116.25 124.51 2d2r h VAL 34 Ca 0.27 -1.24 -0.09 0.00 0.82 0.00 0.00 66.70 66.47 2d2r h VAL 34 Cb -0.07 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 2d2r h VAL 34 CO -0.05 0.40 0.01 0.50 0.02 0.00 0.00 177.57 178.45 2d2r h LYS 35 N 0.50 0.96 -0.31 1.57 3.64 -0.73 -0.04 116.57 122.15 2d2r h LYS 35 Ca 0.08 -0.28 -0.02 0.00 -1.27 0.00 0.00 60.65 59.15 2d2r h LYS 35 Cb 0.65 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.35 2d2r h LYS 35 CO 0.05 0.94 0.11 1.15 -2.27 0.00 0.00 179.45 179.42 2d2r h THR 36 N 0.89 1.20 -0.41 1.00 2.02 -0.67 -1.24 112.91 115.69 2d2r h THR 36 Ca 0.16 -0.62 0.04 0.00 0.77 0.00 0.00 66.41 66.77 2d2r h THR 36 Cb 0.50 1.01 -0.04 0.00 -1.74 0.00 0.00 68.15 67.89 2d2r h THR 36 CO 0.02 0.21 0.17 0.25 0.37 0.00 0.00 175.52 176.55 2d2r h LEU 37 N 0.35 0.22 -0.03 2.58 6.46 -0.48 -0.86 115.31 123.55 2d2r h LEU 37 Ca 0.10 0.03 0.01 0.00 -0.12 0.00 0.00 57.88 57.91 2d2r h LEU 37 Cb 0.22 -0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.14 2d2r h LEU 37 CO -0.01 0.17 -0.02 0.50 -0.62 0.00 0.00 178.44 178.46 2d2r h LYS 38 N 0.36 -0.02 -0.72 1.25 3.64 -0.75 -1.04 116.57 119.29 2d2r h LYS 38 Ca 0.18 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.56 2d2r h LYS 38 Cb 0.13 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.92 2d2r h LYS 38 CO -0.16 -0.01 0.43 -0.44 -2.27 0.00 0.00 179.45 177.00 2d2r h ASP 39 N -0.02 0.87 -0.12 4.20 3.45 -0.74 -1.68 116.42 122.39 2d2r h ASP 39 Ca 0.02 -0.06 -0.14 0.00 0.43 0.00 0.00 57.03 57.28 2d2r h ASP 39 Cb 0.04 -0.22 -0.01 0.00 -0.56 0.00 0.00 39.33 38.59 2d2r h ASP 39 CO -0.04 0.68 -0.40 0.40 -1.57 0.00 0.00 179.24 178.31 2d2r h ILE 40 N 0.98 1.29 0.02 0.35 1.08 -1.12 -1.62 117.51 118.50 2d2r h ILE 40 Ca 0.26 -1.57 -0.00 0.00 -0.39 0.00 0.00 64.86 63.16 2d2r h ILE 40 Cb -0.03 1.51 0.00 0.00 -3.07 0.00 0.00 36.82 35.23 2d2r h ILE 40 CO -0.05 0.50 -0.01 0.74 -0.69 0.00 0.00 178.15 178.64 2d2r h THR 41 N 0.53 1.07 -0.88 -0.27 2.02 -0.75 -1.11 112.91 113.52 2d2r h THR 41 Ca 0.05 -0.30 -0.00 0.00 0.77 0.00 0.00 66.41 66.92 2d2r h THR 41 Cb 0.92 1.27 -0.04 0.00 -1.74 0.00 0.00 68.15 68.56 2d2r h THR 41 CO 0.08 0.08 0.54 0.40 0.37 0.00 0.00 175.52 176.99 2d2r h ILE 42 N -0.16 1.24 -0.44 3.11 2.04 -1.33 -1.28 117.51 120.70 2d2r h ILE 42 Ca -0.00 -0.51 0.05 0.00 1.00 0.00 0.00 64.86 65.40 2d2r h ILE 42 Cb 0.15 -0.01 -0.04 0.00 -0.74 0.00 0.00 36.82 36.17 2d2r h ILE 42 CO 0.01 0.25 0.18 -0.25 0.00 0.00 0.00 178.15 178.34 2d2r h TRP 43 N 1.21 0.33 -0.83 1.37 7.01 -1.10 0.05 115.95 123.98 2d2r h TRP 43 Ca 0.32 0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.31 2d2r h TRP 43 Cb -0.07 -0.08 -0.04 0.00 -2.10 0.00 0.00 29.16 26.87 2d2r h TRP 43 CO -0.00 0.15 0.39 0.00 -2.79 0.00 0.00 178.44 176.18 2d2r h ALA 45 N 1.21 0.78 0.00 0.00 0.00 -0.69 -2.42 119.26 118.15 2d2r h ALA 45 Ca 0.28 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2d2r h ALA 45 Cb 0.13 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 2d2r h ALA 45 CO -0.03 0.62 -0.15 -0.91 0.00 0.00 0.00 179.25 178.77 2d2r h ASN 46 N 0.92 0.00 -0.59 0.00 -0.26 -0.58 -2.34 115.58 112.73 2d2r h ASN 46 Ca 0.16 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.90 2d2r h ASN 46 Cb 0.55 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.81 2d2r h ASN 46 CO 0.03 0.15 0.00 1.41 -1.06 0.00 0.00 177.43 177.96 2d2r n HIS 47 N -3.48 0.94 -2.83 1.19 8.25 -0.44 -4.96 115.22 113.88 2d2r n HIS 47 Ca -0.01 -0.43 -0.19 0.00 -0.26 0.00 0.00 57.72 56.82 2d2r n HIS 47 Cb 0.31 -0.06 0.03 0.00 1.12 0.00 0.00 29.99 31.39 2d2r n HIS 47 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2d2r n LYS 48 N 1.19 -3.87 -1.56 -0.41 4.76 -0.88 -5.01 118.16 112.37 2d2r n LYS 48 Ca 0.21 0.82 -0.32 0.00 -2.87 0.00 0.00 58.31 56.15 2d2r n LYS 48 Cb 0.58 -5.43 0.06 0.00 -1.84 0.00 0.00 35.03 28.40 2d2r n LYS 48 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2d2r s LEU 49 N -5.81 3.21 -0.00 -0.35 1.02 -0.94 -4.96 118.68 110.84 2d2r s LEU 49 Ca 0.22 1.82 0.10 0.00 0.02 0.00 0.00 54.13 56.30 2d2r s LEU 49 Cb -0.10 -4.52 -0.23 0.00 0.02 0.00 0.00 46.19 41.36 2d2r s LEU 49 CO 0.28 -1.68 0.82 -0.08 0.02 0.00 0.00 176.35 175.71 2d2r h GLU 50 N -0.53 0.01 -2.47 1.70 4.81 -1.24 -3.42 114.58 113.44 2d2r h GLU 50 Ca -0.45 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 58.67 2d2r h GLU 50 Cb 1.23 0.01 -0.22 0.00 0.63 0.00 0.00 28.75 30.40 2d2r h GLU 50 CO 0.54 0.65 -0.08 0.00 -0.73 0.00 0.00 179.01 179.39 2d2r s LEU 52 N -0.18 0.97 -0.16 0.00 2.96 -0.29 -2.07 118.68 119.91 2d2r s LEU 52 Ca -0.04 -0.18 -0.01 0.00 -0.22 0.00 0.00 54.13 53.69 2d2r s LEU 52 Cb -0.03 -0.60 -0.01 0.00 0.50 0.00 0.00 46.19 46.05 2d2r s LEU 52 CO 0.03 -0.13 -0.12 -0.89 -1.32 0.00 0.00 176.35 173.91 2d2r s THR 53 N 1.63 2.95 -0.08 3.68 2.01 -0.44 0.22 115.64 125.61 2d2r s THR 53 Ca 0.01 -0.67 0.02 0.00 0.31 0.00 0.00 61.69 61.37 2d2r s THR 53 Cb -0.13 -2.27 -0.02 0.00 0.01 0.00 0.00 72.50 70.09 2d2r s THR 53 CO -0.05 0.50 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.48 2d2r s LEU 54 N 0.83 2.69 -0.14 4.42 1.43 -0.23 -0.47 118.68 127.21 2d2r s LEU 54 Ca -0.04 -0.26 0.02 0.00 -1.03 0.00 0.00 54.13 52.82 2d2r s LEU 54 Cb -0.15 -1.57 0.00 0.00 0.03 0.00 0.00 46.19 44.51 2d2r s LEU 54 CO 0.00 0.27 -0.20 -0.47 0.23 0.00 0.00 176.35 176.19 2d2r s TYR 55 N -0.29 2.69 0.00 0.29 5.04 -0.51 -1.00 117.35 123.58 2d2r s TYR 55 Ca 0.02 -1.17 0.00 0.00 -2.44 0.00 0.00 57.07 53.48 2d2r s TYR 55 Cb -0.13 -1.82 0.00 0.00 0.35 0.00 0.00 41.96 40.36 2d2r s TYR 55 CO 0.03 -0.52 0.00 1.28 -1.34 0.00 0.00 175.55 175.00 2d2r n LEU 72 N 3.95 0.00 0.07 6.97 4.77 -1.26 -1.39 117.00 130.11 2d2r n LEU 72 Ca -0.19 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.75 2d2r n LEU 72 Cb 0.52 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.53 2d2r n LEU 72 CO 0.28 0.00 0.07 0.24 -1.33 0.00 0.00 177.39 176.65 2d2r h MET 73 N 3.38 0.00 -0.29 3.23 2.86 -2.06 -3.30 114.93 118.76 2d2r h MET 73 Ca 0.00 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.68 2d2r h MET 73 Cb 0.00 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 31.59 2d2r h MET 73 CO 0.00 0.66 -0.50 -0.22 1.06 0.00 0.00 176.91 177.91 2d2r h LYS 74 N 0.00 -0.39 -0.62 1.72 3.64 -2.05 0.25 116.57 119.11 2d2r h LYS 74 Ca -0.07 0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.39 2d2r h LYS 74 Cb 1.66 0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 33.54 2d2r h LYS 74 CO 0.09 -0.26 0.41 0.52 -2.27 0.00 0.00 179.45 177.94 2d2r h MET 75 N -0.41 0.59 -0.01 1.90 2.86 -2.00 -2.47 114.93 115.40 2d2r h MET 75 Ca 0.05 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.66 2d2r h MET 75 Cb 0.56 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 32.08 2d2r h MET 75 CO -0.49 0.39 0.00 1.25 1.06 0.00 0.00 176.91 179.12 2d2r h LEU 76 N 0.61 0.01 -0.92 1.22 5.85 -1.08 0.25 115.31 121.24 2d2r h LEU 76 Ca 0.27 -0.28 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 2d2r h LEU 76 Cb 0.28 -0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.26 2d2r h LEU 76 CO -0.08 0.29 0.43 0.07 -0.34 0.00 0.00 178.44 178.81 2d2r h LYS 77 N -0.27 1.19 0.02 1.25 2.10 -0.96 -1.13 116.57 118.77 2d2r h LYS 77 Ca 0.00 -0.16 -0.00 0.00 -2.00 0.00 0.00 60.65 58.49 2d2r h LYS 77 Cb 0.28 -0.22 0.00 0.00 -0.90 0.00 0.00 32.23 31.39 2d2r h LYS 77 CO 0.00 0.90 -0.01 -0.22 -2.00 0.00 0.00 179.45 178.12 2d2r h LYS 78 N 1.19 -0.03 -0.32 0.07 3.64 -1.36 -0.15 116.57 119.60 2d2r h LYS 78 Ca 0.29 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.73 2d2r h LYS 78 Cb 0.08 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 31.85 2d2r h LYS 78 CO -0.04 0.04 -0.03 -0.92 -2.27 0.00 0.00 179.45 176.24 2d2r h TYR 79 N -0.09 -0.07 -0.59 1.91 3.20 -0.63 0.55 116.97 121.25 2d2r h TYR 79 Ca -0.00 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.86 2d2r h TYR 79 Cb 0.09 0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.41 2d2r h TYR 79 CO -0.06 -0.08 0.23 -0.07 -1.64 0.00 0.00 178.16 176.54 2d2r h LEU 80 N 0.06 0.78 0.42 2.82 3.38 -1.01 0.40 115.31 122.17 2d2r h LEU 80 Ca 0.16 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 2d2r h LEU 80 Cb 0.22 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2d2r h LEU 80 CO -0.28 0.70 -0.20 0.50 0.09 0.00 0.00 178.44 179.25 2d2r h LYS 81 N 0.84 -0.54 -0.69 1.13 3.64 -0.33 -2.75 116.57 117.88 2d2r h LYS 81 Ca 0.20 0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.61 2d2r h LYS 81 Cb 0.17 0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.08 2d2r h LYS 81 CO -0.02 -0.36 0.42 -0.44 -2.27 0.00 0.00 179.45 176.78 2d2r h ASP 82 N -1.10 0.82 0.33 4.20 3.32 0.14 -2.92 116.42 121.20 2d2r h ASP 82 Ca -0.06 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.95 2d2r h ASP 82 Cb 0.43 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.77 2d2r h ASP 82 CO 0.09 0.63 -0.29 -0.62 -1.72 0.00 0.00 179.24 177.33 2d2r n GLU 83 N -4.40 0.61 -0.25 3.56 -0.58 0.14 -4.25 120.64 115.47 2d2r n GLU 83 Ca 0.07 -0.33 0.01 0.00 -0.42 0.00 0.00 57.16 56.49 2d2r n GLU 83 Cb 0.07 -1.49 0.08 0.00 -0.57 0.00 0.00 31.44 29.52 2d2r n GLU 83 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 2d2r h ARG 84 N 0.82 0.00 -0.40 3.49 2.43 -1.28 0.33 114.38 119.76 2d2r h ARG 84 Ca 0.00 -0.00 0.07 0.00 -0.81 0.00 0.00 59.98 59.24 2d2r h ARG 84 Cb 0.49 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.01 2d2r h ARG 84 CO 0.00 0.00 0.28 1.03 -1.51 0.00 0.00 179.97 179.77 2d2r h SER 85 N 0.00 0.23 0.25 -3.80 0.87 -1.79 -2.15 113.55 107.16 2d2r h SER 85 Ca 0.35 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.82 2d2r h SER 85 Cb 0.53 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.43 2d2r h SER 85 CO -0.74 0.15 -0.35 0.71 -0.53 0.00 0.00 176.83 176.07 2d2r h THR 86 N 0.26 1.28 -0.28 2.23 1.35 -0.62 0.89 112.91 118.02 2d2r h THR 86 Ca 0.18 -1.32 -0.05 0.00 -0.55 0.00 0.00 66.41 64.67 2d2r h THR 86 Cb 0.38 1.61 -0.01 0.00 -1.73 0.00 0.00 68.15 68.40 2d2r h THR 86 CO -0.04 0.39 -0.02 1.88 -0.25 0.00 0.00 175.52 177.49 2d2r h TYR 87 N 0.14 0.55 -0.23 4.73 0.05 -1.26 -2.00 116.97 118.95 2d2r h TYR 87 Ca 0.02 -0.10 -0.15 0.00 0.05 0.00 0.00 58.73 58.54 2d2r h TYR 87 Cb 0.69 -0.14 -0.01 0.00 1.01 0.00 0.00 36.73 38.28 2d2r h TYR 87 CO 0.01 0.66 -0.49 -0.07 -1.05 0.00 0.00 178.16 177.22 2d2r h LEU 88 N 0.28 0.67 -0.09 3.88 3.38 -1.34 -1.68 115.31 120.40 2d2r h LEU 88 Ca 0.08 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2d2r h LEU 88 Cb 0.45 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2d2r h LEU 88 CO 0.02 1.05 0.00 0.47 0.09 0.00 0.00 178.44 180.06 2d2r n ASP 89 N -3.99 0.21 -0.07 -0.43 8.00 0.29 -3.71 116.55 116.85 2d2r n ASP 89 Ca -0.03 0.53 0.05 0.00 0.71 0.00 0.00 54.79 56.05 2d2r n ASP 89 Cb 0.57 -0.59 0.07 0.00 -0.02 0.00 0.00 41.12 41.15 2d2r n ASP 89 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2d2r n ASN 90 N -1.71 1.87 -3.33 -2.24 3.02 -0.76 -4.99 115.26 107.11 2d2r n ASN 90 Ca 0.05 -2.46 -0.24 0.00 -0.03 0.00 0.00 54.58 51.90 2d2r n ASN 90 Cb 0.28 -0.22 0.04 0.00 -0.61 0.00 0.00 39.78 39.27 2d2r n ASN 90 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2d2r n ASN 91 N -0.88 -5.81 -4.44 6.41 4.13 -1.02 -4.96 115.26 108.69 2d2r n ASN 91 Ca 0.08 -0.43 -0.42 0.00 1.68 0.00 0.00 54.58 55.49 2d2r n ASN 91 Cb 0.49 -4.66 -0.10 0.00 -1.54 0.00 0.00 39.78 33.97 2d2r n ASN 91 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2d2r s ILE 92 N -3.21 5.02 0.27 2.41 1.01 -0.66 -4.52 121.20 121.52 2d2r s ILE 92 Ca 0.44 -0.66 -0.29 0.00 0.00 0.00 0.00 60.65 60.13 2d2r s ILE 92 Cb -0.20 -3.76 -0.09 0.00 0.01 0.00 0.00 42.46 38.41 2d2r s ILE 92 CO 0.55 -0.24 1.23 -0.60 0.00 0.00 0.00 174.94 175.88 2d2r s ARG 93 N 1.64 4.47 -0.12 2.79 3.52 -0.93 -4.67 118.95 125.65 2d2r s ARG 93 Ca 0.04 2.01 -0.02 0.00 -0.13 0.00 0.00 55.73 57.63 2d2r s ARG 93 Cb -0.19 -3.16 -0.03 0.00 -1.56 0.00 0.00 34.95 30.02 2d2r s ARG 93 CO 0.09 -0.06 -0.06 0.12 -0.81 0.00 0.00 175.30 174.58 2d2r s PHE 94 N -0.74 2.97 0.00 5.12 5.36 -1.26 -0.56 117.98 128.86 2d2r s PHE 94 Ca 0.50 -0.23 0.01 0.00 -0.96 0.00 0.00 56.93 56.24 2d2r s PHE 94 Cb -0.36 -1.86 -0.00 0.00 -0.34 0.00 0.00 43.02 40.46 2d2r s PHE 94 CO 0.44 0.07 -0.03 0.50 -1.46 0.00 0.00 175.22 174.75 2d2r s ARG 95 N -0.05 0.20 0.05 10.12 3.52 -0.73 -4.30 118.95 127.76 2d2r s ARG 95 Ca 0.01 -0.14 0.03 0.00 -0.13 0.00 0.00 55.73 55.50 2d2r s ARG 95 Cb -0.13 -0.16 -0.04 0.00 -1.56 0.00 0.00 34.95 33.05 2d2r s ARG 95 CO 0.03 0.04 -0.00 0.00 -0.81 0.00 0.00 175.30 174.56 2d2r s ALA 96 N -0.19 3.27 0.20 6.12 0.00 -1.26 -1.05 121.76 128.85 2d2r s ALA 96 Ca -0.01 -1.04 0.07 0.00 0.00 0.00 0.00 51.96 50.98 2d2r s ALA 96 Cb -0.02 -1.25 -0.05 0.00 0.00 0.00 0.00 23.12 21.80 2d2r s ALA 96 CO -0.00 0.67 -0.13 0.96 0.00 0.00 0.00 175.76 177.26 2d2r s ILE 97 N -1.20 1.63 0.00 0.00 -4.36 -0.71 -4.92 121.20 111.65 2d2r s ILE 97 Ca 0.23 -2.18 0.00 0.00 -0.26 0.00 0.00 60.65 58.44 2d2r s ILE 97 Cb -0.12 -2.05 0.00 0.00 1.25 0.00 0.00 42.46 41.54 2d2r s ILE 97 CO 0.14 -0.59 0.00 0.61 0.24 0.00 0.00 174.94 175.34 2d2r n GLY 98 N -0.37 0.32 3.48 6.27 0.00 -1.26 -0.01 105.19 113.62 2d2r n GLY 98 Ca -0.08 -2.31 -0.43 0.00 0.00 0.00 0.00 46.02 43.21 2d2r n GLY 98 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2d2r s ASP 99 N -1.16 6.48 0.51 1.61 2.15 -0.52 -4.88 116.67 120.85 2d2r s ASP 99 Ca 0.00 -1.59 0.30 0.00 0.43 0.00 0.00 52.55 51.68 2d2r s ASP 99 Cb 0.00 -2.45 1.01 0.00 -0.30 0.00 0.00 42.92 41.18 2d2r s ASP 99 CO 0.00 -1.29 1.85 -0.07 -0.17 0.00 0.00 175.17 175.49 2d2r h LEU 100 N 11.32 0.00 -1.69 -1.34 3.38 -1.86 -2.85 115.31 122.27 2d2r h LEU 100 Ca 0.05 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 2d2r h LEU 100 Cb 1.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 2d2r h LEU 100 CO 1.21 0.02 -0.19 -0.33 0.09 0.00 0.00 178.44 179.24 2d2r h GLU 101 N 0.00 0.00 -0.14 1.13 5.08 -1.98 -0.81 114.58 117.86 2d2r h GLU 101 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2d2r h GLU 101 Cb 0.69 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.94 2d2r h GLU 101 CO 0.00 0.19 0.00 0.41 -1.00 0.00 0.00 179.01 178.61 2d2r n GLY 102 N -0.74 -0.27 3.68 -3.84 0.00 -1.08 -4.72 105.19 98.22 2d2r n GLY 102 Ca -0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 2d2r n GLY 102 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2d2r s PHE 103 N -1.78 2.67 0.87 1.61 0.08 -0.31 -5.11 117.98 116.00 2d2r s PHE 103 Ca 0.00 -0.35 -0.11 0.00 0.12 0.00 0.00 56.93 56.59 2d2r s PHE 103 Cb 0.00 -1.47 0.11 0.00 -0.57 0.00 0.00 43.02 41.09 2d2r s PHE 103 CO 0.00 0.46 1.09 -1.54 -0.10 0.00 0.00 175.22 175.13 2d2r s SER 104 N -3.76 3.68 0.12 1.36 1.04 -1.26 -4.75 113.70 110.13 2d2r s SER 104 Ca 0.35 1.66 -0.22 0.00 0.48 0.00 0.00 55.95 58.22 2d2r s SER 104 Cb -0.03 -2.33 -0.04 0.00 0.10 0.00 0.00 66.02 63.72 2d2r s SER 104 CO 0.21 -2.53 1.69 0.50 0.98 0.00 0.00 173.24 174.09 2d2r h LYS 105 N -1.47 -0.11 0.01 4.02 1.63 -1.96 0.13 116.57 118.82 2d2r h LYS 105 Ca -0.47 0.01 0.02 0.00 -0.85 0.00 0.00 60.65 59.35 2d2r h LYS 105 Cb 1.27 0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 32.89 2d2r h LYS 105 CO 0.52 -0.07 -0.13 1.49 -3.45 0.00 0.00 179.45 177.81 2d2r h GLU 106 N -0.11 -0.22 -0.39 1.90 4.81 -1.99 0.77 114.58 119.36 2d2r h GLU 106 Ca 0.08 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.28 2d2r h GLU 106 Cb 0.23 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 2d2r h GLU 106 CO -0.19 -0.14 0.05 1.25 -0.73 0.00 0.00 179.01 179.24 2d2r h LEU 107 N -0.22 0.63 -1.30 1.64 5.85 -1.86 -0.67 115.31 119.37 2d2r h LEU 107 Ca 0.04 -0.27 0.01 0.00 0.84 0.00 0.00 57.88 58.50 2d2r h LEU 107 Cb 0.28 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 2d2r h LEU 107 CO -0.12 0.74 0.47 -0.09 -0.34 0.00 0.00 178.44 179.10 2d2r h ARG 108 N 0.49 0.94 -0.12 1.25 2.43 -0.56 -0.87 114.38 117.94 2d2r h ARG 108 Ca 0.12 -0.06 -0.18 0.00 -0.81 0.00 0.00 59.98 59.04 2d2r h ARG 108 Cb 0.39 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 29.73 2d2r h ARG 108 CO 0.01 0.62 -0.69 -0.44 -1.51 0.00 0.00 179.97 177.97 2d2r h ASP 109 N 0.97 0.59 -0.19 -3.80 3.45 -0.38 -2.10 116.42 114.96 2d2r h ASP 109 Ca 0.26 -0.37 -0.11 0.00 0.43 0.00 0.00 57.03 57.24 2d2r h ASP 109 Cb -0.11 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 38.48 2d2r h ASP 109 CO -0.06 1.11 -0.26 0.74 -1.57 0.00 0.00 179.24 179.20 2d2r h THR 110 N 0.36 1.27 0.01 0.35 2.02 -0.61 0.02 112.91 116.33 2d2r h THR 110 Ca -0.02 -1.36 -0.00 0.00 0.77 0.00 0.00 66.41 65.79 2d2r h THR 110 Cb 1.26 1.31 0.00 0.00 -1.74 0.00 0.00 68.15 68.98 2d2r h THR 110 CO 0.12 0.44 -0.01 0.40 0.37 0.00 0.00 175.52 176.85 2d2r h ILE 111 N 0.58 1.16 -0.52 3.11 2.04 -1.04 -1.28 117.51 121.55 2d2r h ILE 111 Ca 0.08 -0.52 0.00 0.00 1.00 0.00 0.00 64.86 65.42 2d2r h ILE 111 Cb 0.75 1.51 -0.03 0.00 -0.74 0.00 0.00 36.82 38.32 2d2r h ILE 111 CO 0.06 0.13 0.32 -0.07 0.00 0.00 0.00 178.15 178.60 2d2r h LEU 112 N -0.24 0.60 -0.57 1.44 3.38 -1.24 -0.89 115.31 117.79 2d2r h LEU 112 Ca -0.00 -0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.79 2d2r h LEU 112 Cb 0.23 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2d2r h LEU 112 CO 0.00 0.45 -0.55 -0.61 0.09 0.00 0.00 178.44 177.83 2d2r h GLN 113 N 0.71 0.48 -0.29 1.13 4.15 -0.74 -1.04 115.11 119.51 2d2r h GLN 113 Ca 0.19 -0.30 -0.13 0.00 0.77 0.00 0.00 58.65 59.18 2d2r h GLN 113 Cb -0.05 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.66 2d2r h GLN 113 CO -0.04 0.90 -0.37 1.25 -1.93 0.00 0.00 178.83 178.64 2d2r h LEU 114 N 0.37 0.69 -0.15 -2.39 5.85 0.01 0.13 115.31 119.82 2d2r h LEU 114 Ca 0.01 -0.30 -0.00 0.00 0.84 0.00 0.00 57.88 58.43 2d2r h LEU 114 Cb 1.07 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.90 2d2r h LEU 114 CO 0.10 0.99 0.09 -0.33 -0.34 0.00 0.00 178.44 178.95 2d2r h GLU 115 N 0.55 0.20 -0.63 1.25 5.08 -1.20 -2.05 114.58 117.78 2d2r h GLU 115 Ca 0.05 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.40 2d2r h GLU 115 Cb 0.88 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.06 2d2r h GLU 115 CO 0.08 0.19 0.41 -0.91 -1.00 0.00 0.00 179.01 177.78 2d2r h ASN 116 N 0.16 0.73 0.69 1.42 2.35 -0.76 0.08 115.58 120.24 2d2r h ASN 116 Ca 0.05 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.76 2d2r h ASN 116 Cb 0.05 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.23 2d2r h ASN 116 CO -0.01 0.53 -0.09 0.44 -1.65 0.00 0.00 177.43 176.65 2d2r h ASP 117 N 0.86 0.00 0.00 5.81 3.45 -0.28 -3.22 116.42 123.04 2d2r h ASP 117 Ca 0.23 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.69 2d2r h ASP 117 Cb -0.09 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.68 2d2r h ASP 117 CO -0.05 0.09 0.00 0.35 -1.57 0.00 0.00 179.24 178.06 2d2r n THR 118 N -3.32 0.71 0.32 0.35 -2.24 -0.76 -4.74 114.28 104.59 2d2r n THR 118 Ca -0.01 -0.80 0.20 0.00 -2.27 0.00 0.00 64.05 61.17 2d2r n THR 118 Cb 0.29 0.67 1.09 0.00 -2.10 0.00 0.00 70.33 70.28 2d2r n THR 118 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 2d2r h ARG 119 N 0.00 0.00 -0.00 -0.78 0.11 -1.02 -2.27 114.38 110.42 2d2r h ARG 119 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2d2r h ARG 119 Cb 0.44 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.52 2d2r h ARG 119 CO 0.00 0.00 -0.09 -2.39 0.10 0.00 0.00 179.97 177.59 2d2r n HIS 120 N -3.17 0.00 -2.71 4.08 1.44 -1.26 -4.69 115.22 108.91 2d2r n HIS 120 Ca -0.02 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.26 2d2r n HIS 120 Cb 0.15 -0.37 -0.03 0.00 0.12 0.00 0.00 29.99 29.86 2d2r n HIS 120 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 2d2r s PHE 121 N -2.83 3.52 -0.38 -1.40 0.08 -0.85 -4.94 117.98 111.17 2d2r s PHE 121 Ca 0.19 1.57 0.07 0.00 0.12 0.00 0.00 56.93 58.88 2d2r s PHE 121 Cb 0.19 -3.17 0.18 0.00 -0.57 0.00 0.00 43.02 39.66 2d2r s PHE 121 CO 0.53 -0.21 1.14 1.17 -0.10 0.00 0.00 175.22 177.76 2d2r n LYS 122 N 4.93 2.80 -0.13 0.44 3.00 -1.26 -4.54 118.16 123.41 2d2r n LYS 122 Ca 0.08 -1.91 -0.22 0.00 -0.00 0.00 0.00 58.31 56.26 2d2r n LYS 122 Cb 0.49 -1.21 -0.10 0.00 0.00 0.00 0.00 35.03 34.20 2d2r n LYS 122 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2d2r n ASP 123 N -0.19 1.97 -4.04 3.14 9.92 -1.26 -5.00 116.55 121.10 2d2r n ASP 123 Ca 0.07 0.09 -0.20 0.00 -0.53 0.00 0.00 54.79 54.23 2d2r n ASP 123 Cb 0.40 -0.57 -0.15 0.00 -0.64 0.00 0.00 41.12 40.16 2d2r n ASP 123 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 2d2r s PHE 124 N -2.48 0.94 -0.06 1.24 5.36 -1.26 -4.56 117.98 117.15 2d2r s PHE 124 Ca -0.35 -0.19 0.04 0.00 -0.96 0.00 0.00 56.93 55.47 2d2r s PHE 124 Cb 0.11 -0.62 0.00 0.00 -0.34 0.00 0.00 43.02 42.17 2d2r s PHE 124 CO 0.51 -0.04 -0.18 0.99 -1.46 0.00 0.00 175.22 175.04 2d2r s THR 125 N -0.14 1.57 -0.22 0.12 2.01 -0.83 -2.20 115.64 115.96 2d2r s THR 125 Ca 0.02 -0.77 -0.08 0.00 0.31 0.00 0.00 61.69 61.18 2d2r s THR 125 Cb -0.05 -1.37 -0.04 0.00 0.01 0.00 0.00 72.50 71.05 2d2r s THR 125 CO -0.00 0.45 0.09 -1.58 -0.69 0.00 0.00 174.62 172.89 2d2r s GLN 126 N 0.24 3.90 -0.19 4.92 0.74 0.27 -1.13 119.66 128.41 2d2r s GLN 126 Ca -0.10 -0.37 -0.03 0.00 0.05 0.00 0.00 55.36 54.91 2d2r s GLN 126 Cb -0.14 -3.33 -0.02 0.00 1.10 0.00 0.00 33.01 30.62 2d2r s GLN 126 CO 0.04 0.07 -0.05 0.08 -0.55 0.00 0.00 175.29 174.88 2d2r s VAL 127 N 0.95 3.50 -0.22 1.34 1.01 0.13 -1.76 120.40 125.34 2d2r s VAL 127 Ca 0.05 -0.47 -0.07 0.00 0.00 0.00 0.00 61.98 61.48 2d2r s VAL 127 Cb -0.14 -2.56 -0.04 0.00 0.00 0.00 0.00 36.38 33.65 2d2r s VAL 127 CO 0.03 0.46 0.07 -0.76 0.00 0.00 0.00 175.10 174.90 2d2r s LEU 128 N 0.99 3.62 -0.35 3.92 1.43 -0.22 -1.07 118.68 127.01 2d2r s LEU 128 Ca 0.00 -0.07 -0.21 0.00 -1.03 0.00 0.00 54.13 52.81 2d2r s LEU 128 Cb -0.15 -1.95 0.00 0.00 0.03 0.00 0.00 46.19 44.13 2d2r s LEU 128 CO 0.00 0.06 0.69 0.00 0.23 0.00 0.00 176.35 177.34 2d2r s ALA 129 N 1.06 3.47 -0.13 4.21 0.00 -0.17 -1.73 121.76 128.47 2d2r s ALA 129 Ca 0.04 -0.72 0.03 0.00 0.00 0.00 0.00 51.96 51.31 2d2r s ALA 129 Cb -0.14 -3.23 0.01 0.00 0.00 0.00 0.00 23.12 19.76 2d2r s ALA 129 CO 0.03 -1.33 -0.21 -0.51 0.00 0.00 0.00 175.76 173.74 2d2r s LEU 130 N 2.83 2.05 -1.46 0.00 1.43 0.98 -4.57 118.68 119.94 2d2r s LEU 130 Ca 0.27 -0.57 -0.05 0.00 -1.03 0.00 0.00 54.13 52.75 2d2r s LEU 130 Cb -0.14 -1.39 0.04 0.00 0.03 0.00 0.00 46.19 44.73 2d2r s LEU 130 CO 0.15 0.08 0.60 -3.20 0.23 0.00 0.00 176.35 174.21 2d2r n ASN 131 N 4.01 -1.58 -4.63 2.29 5.15 -1.26 -3.57 115.26 115.66 2d2r n ASN 131 Ca -0.20 -0.95 -0.34 0.00 -0.60 0.00 0.00 54.58 52.49 2d2r n ASN 131 Cb 0.52 -3.26 -0.10 0.00 -0.53 0.00 0.00 39.78 36.41 2d2r n ASN 131 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 2d2r s TYR 132 N -3.71 3.02 -0.16 1.20 5.04 -1.26 -1.44 117.35 120.04 2d2r s TYR 132 Ca 0.23 0.08 -0.14 0.00 -2.44 0.00 0.00 57.07 54.79 2d2r s TYR 132 Cb -0.12 -1.72 0.04 0.00 0.35 0.00 0.00 41.96 40.52 2d2r s TYR 132 CO 0.88 0.40 0.43 0.20 -1.34 0.00 0.00 175.55 176.11 2d2r s GLY 133 N -1.00 -0.32 0.18 8.97 0.00 -1.26 -4.99 107.32 108.90 2d2r s GLY 133 Ca 0.14 1.26 -0.12 0.00 0.00 0.00 0.00 44.72 46.00 2d2r s GLY 133 CO 0.04 1.14 1.78 1.76 0.00 0.00 0.00 173.10 177.82 2d2r h SER 134 N 5.72 0.79 -0.72 1.64 0.02 -1.00 -1.33 113.55 118.67 2d2r h SER 134 Ca -0.28 -0.12 -0.00 0.00 -0.84 0.00 0.00 61.79 60.55 2d2r h SER 134 Cb 1.18 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 63.48 2d2r h SER 134 CO 0.24 0.68 0.44 0.11 -1.14 0.00 0.00 176.83 177.17 2d2r h LYS 135 N 0.84 0.97 -0.32 3.45 1.57 -1.98 0.12 116.57 121.22 2d2r h LYS 135 Ca 0.21 -0.08 -0.09 0.00 -1.87 0.00 0.00 60.65 58.83 2d2r h LYS 135 Cb 0.09 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 2d2r h LYS 135 CO -0.03 0.68 -0.16 -0.97 -0.57 0.00 0.00 179.45 178.40 2d2r h ASN 136 N 0.98 0.56 -0.34 0.86 -1.24 -1.91 0.39 115.58 114.88 2d2r h ASN 136 Ca 0.26 -0.17 -0.04 0.00 0.71 0.00 0.00 56.30 57.06 2d2r h ASN 136 Cb -0.05 -0.15 -0.01 0.00 0.73 0.00 0.00 38.32 38.84 2d2r h ASN 136 CO -0.05 0.75 0.06 -0.08 -1.29 0.00 0.00 177.43 176.81 2d2r h GLU 137 N 0.52 0.56 -0.39 6.67 4.81 -0.36 -1.21 114.58 125.19 2d2r h GLU 137 Ca 0.09 -0.15 -0.08 0.00 -0.13 0.00 0.00 59.36 59.09 2d2r h GLU 137 Cb 0.58 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.88 2d2r h GLU 137 CO 0.04 0.64 -0.08 -0.07 -0.73 0.00 0.00 179.01 178.81 2d2r h LEU 138 N 0.40 0.63 -0.41 1.64 3.38 -0.58 -0.69 115.31 119.68 2d2r h LEU 138 Ca 0.10 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 57.92 2d2r h LEU 138 Cb 0.35 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 2d2r h LEU 138 CO 0.01 0.75 0.26 -1.28 0.09 0.00 0.00 178.44 178.27 2d2r h SER 139 N 0.61 0.43 -0.07 -0.43 0.87 -0.64 0.33 113.55 114.64 2d2r h SER 139 Ca 0.11 -0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.54 2d2r h SER 139 Cb 0.50 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.35 2d2r h SER 139 CO 0.03 0.31 -0.36 0.03 -0.53 0.00 0.00 176.83 176.31 2d2r h ARG 140 N 0.52 0.58 -0.24 2.24 3.08 -1.02 -0.01 114.38 119.53 2d2r h ARG 140 Ca 0.16 -0.27 -0.10 0.00 0.07 0.00 0.00 59.98 59.83 2d2r h ARG 140 Cb -0.03 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.02 2d2r h ARG 140 CO -0.06 0.85 -0.25 0.00 -1.07 0.00 0.00 179.97 179.45 2d2r h ALA 141 N 1.12 0.36 -0.73 0.04 0.00 -0.59 -1.38 119.26 118.08 2d2r h ALA 141 Ca 0.05 -0.38 0.02 0.00 0.00 0.00 0.00 54.91 54.60 2d2r h ALA 141 Cb 0.85 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 2d2r h ALA 141 CO 0.07 0.34 0.47 0.74 0.00 0.00 0.00 179.25 180.87 2d2r h PHE 142 N 0.31 0.89 -0.54 0.00 -1.00 -0.11 -1.81 116.94 114.68 2d2r h PHE 142 Ca 0.04 0.02 -0.02 0.00 2.81 0.00 0.00 57.97 60.82 2d2r h PHE 142 Cb 0.81 -0.30 -0.03 0.00 3.61 0.00 0.00 35.95 40.05 2d2r h PHE 142 CO 0.08 0.54 0.27 -0.22 -1.61 0.00 0.00 178.31 177.36 2d2r h LYS 143 N 0.94 0.78 -0.34 1.51 1.63 -0.89 -0.50 116.57 119.70 2d2r h LYS 143 Ca 0.28 -0.11 0.03 0.00 -0.85 0.00 0.00 60.65 60.00 2d2r h LYS 143 Cb -0.05 -0.14 -0.03 0.00 -0.60 0.00 0.00 32.23 31.40 2d2r h LYS 143 CO -0.08 0.63 0.14 1.03 -3.45 0.00 0.00 179.45 177.71 2d2r h SER 144 N 0.73 0.17 0.30 4.20 0.87 -0.98 -0.62 113.55 118.22 2d2r h SER 144 Ca 0.19 0.03 -0.10 0.00 -1.23 0.00 0.00 61.79 60.68 2d2r h SER 144 Cb 0.10 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.05 2d2r h SER 144 CO -0.03 0.13 -0.41 -0.07 -0.53 0.00 0.00 176.83 175.93 2d2r h LEU 145 N 0.29 0.15 -0.18 2.23 3.38 -0.99 -0.44 115.31 119.75 2d2r h LEU 145 Ca 0.15 -0.06 -0.13 0.00 0.09 0.00 0.00 57.88 57.93 2d2r h LEU 145 Cb 0.10 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2d2r h LEU 145 CO -0.14 0.55 -0.39 -0.07 0.09 0.00 0.00 178.44 178.48 2d2r h LEU 146 N 0.12 0.65 -0.25 1.67 3.38 -0.78 -1.30 115.31 118.80 2d2r h LEU 146 Ca 0.01 -0.56 -0.03 0.00 0.09 0.00 0.00 57.88 57.39 2d2r h LEU 146 Cb 0.78 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 2d2r h LEU 146 CO 0.06 1.10 0.04 -0.08 0.09 0.00 0.00 178.44 179.64 2d2r h GLU 147 N 0.24 0.42 -2.99 1.13 4.81 -1.05 -3.37 114.58 113.77 2d2r h GLU 147 Ca 0.00 -0.11 -0.61 0.00 -0.13 0.00 0.00 59.36 58.50 2d2r h GLU 147 Cb 1.00 -0.05 -0.40 0.00 0.63 0.00 0.00 28.75 29.93 2d2r h GLU 147 CO 0.09 0.55 -0.73 -1.12 -0.73 0.00 0.00 179.01 177.07 2d2r s SER 148 N -5.85 3.68 0.84 1.04 0.01 -0.18 -5.10 113.70 108.13 2d2r s SER 148 Ca -0.14 -2.85 -0.11 0.00 1.31 0.00 0.00 55.95 54.17 2d2r s SER 148 Cb 0.08 -1.12 0.10 0.00 0.21 0.00 0.00 66.02 65.28 2d2r s SER 148 CO 0.74 -0.23 1.10 -2.16 0.41 0.00 0.00 173.24 173.10 2d2r s PRO 149 N 0.05 1.67 0.00 12.44 0.04 -0.50 -4.45 135.00 144.25 2d2r s PRO 149 Ca 0.20 1.18 0.00 0.00 0.04 0.00 0.00 61.00 62.41 2d2r s PRO 149 Cb -0.20 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.51 2d2r s PRO 149 CO -0.03 -2.06 0.00 1.28 0.04 0.00 0.00 177.00 176.23 2d2r n LEU 159 N -3.80 1.28 -0.10 -3.56 4.77 -1.26 -5.09 117.00 109.24 2d2r n LEU 159 Ca 0.09 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 56.01 2d2r n LEU 159 Cb 0.53 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.63 2d2r n LEU 159 CO 0.53 0.21 0.92 -0.33 -1.33 0.00 0.00 177.39 177.39 2d2r h GLU 160 N 0.00 0.21 -0.64 3.23 5.08 -2.05 -1.19 114.58 119.22 2d2r h GLU 160 Ca 0.00 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 2d2r h GLU 160 Cb 0.51 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.68 2d2r h GLU 160 CO 0.00 0.14 0.26 -0.91 -1.00 0.00 0.00 179.01 177.50 2d2r h ASN 161 N 0.22 0.86 -0.63 1.42 2.35 -2.05 -0.38 115.58 117.37 2d2r h ASN 161 Ca 0.16 -0.11 -0.08 0.00 -0.55 0.00 0.00 56.30 55.71 2d2r h ASN 161 Cb 0.15 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.28 2d2r h ASN 161 CO -0.18 0.77 0.08 -0.33 -1.65 0.00 0.00 177.43 176.11 2d2r h GLU 162 N 0.93 1.07 -0.21 0.81 4.39 -1.86 0.29 114.58 120.00 2d2r h GLU 162 Ca 0.22 -0.29 -0.04 0.00 0.34 0.00 0.00 59.36 59.59 2d2r h GLU 162 Cb 0.17 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 2d2r h GLU 162 CO -0.02 0.99 -0.01 0.82 -1.16 0.00 0.00 179.01 179.63 2d2r h ILE 163 N 1.00 1.26 -0.99 3.13 2.04 -0.88 -2.71 117.51 120.36 2d2r h ILE 163 Ca 0.19 -0.92 0.08 0.00 1.00 0.00 0.00 64.86 65.21 2d2r h ILE 163 Cb 0.46 1.45 -0.07 0.00 -0.74 0.00 0.00 36.82 37.91 2d2r h ILE 163 CO 0.02 0.28 0.63 -1.28 0.00 0.00 0.00 178.15 177.80 2d2r h SER 164 N 0.14 0.99 0.26 1.72 0.87 -0.86 -0.12 113.55 116.55 2d2r h SER 164 Ca 0.06 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 2d2r h SER 164 Cb 0.43 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 2d2r h SER 164 CO 0.01 0.60 0.00 0.59 -0.53 0.00 0.00 176.83 177.51 2d2r n ASN 165 N -4.55 0.00 -0.56 6.23 4.13 0.07 -2.50 115.26 118.09 2d2r n ASN 165 Ca 0.16 -0.58 0.07 0.00 1.68 0.00 0.00 54.58 55.91 2d2r n ASN 165 Cb 0.23 -0.13 0.07 0.00 -1.54 0.00 0.00 39.78 38.40 2d2r n ASN 165 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2d2r n ARG 166 N -1.13 1.05 -1.74 3.52 5.12 -0.10 -4.78 116.66 118.59 2d2r n ARG 166 Ca 0.19 -1.38 -0.30 0.00 -1.93 0.00 0.00 57.85 54.43 2d2r n ARG 166 Cb 0.17 -1.27 0.08 0.00 -1.16 0.00 0.00 32.46 30.28 2d2r n ARG 166 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2d2r s LEU 167 N -1.12 2.59 0.53 0.55 1.43 -0.93 -4.55 118.68 117.17 2d2r s LEU 167 Ca 0.17 1.07 0.25 0.00 -1.03 0.00 0.00 54.13 54.59 2d2r s LEU 167 Cb 0.12 -3.68 1.46 0.00 0.03 0.00 0.00 46.19 44.12 2d2r s LEU 167 CO 0.17 -1.83 2.11 0.44 0.23 0.00 0.00 176.35 177.48 2d2r h ASP 168 N -1.00 0.00 -0.27 2.29 3.32 -1.89 -2.12 116.42 116.75 2d2r h ASP 168 Ca -0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.58 2d2r h ASP 168 Cb 1.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.84 2d2r h ASP 168 CO 0.63 0.09 0.00 0.35 -1.72 0.00 0.00 179.24 178.59 2d2r n THR 169 N -3.88 0.48 -0.27 0.35 -2.24 -1.26 -4.69 114.28 102.77 2d2r n THR 169 Ca -0.02 -0.40 0.16 0.00 -2.27 0.00 0.00 64.05 61.52 2d2r n THR 169 Cb 0.19 0.10 0.30 0.00 -2.10 0.00 0.00 70.33 68.82 2d2r n THR 169 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 2d2r n ARG 170 N 0.31 -0.06 -0.73 -0.78 1.85 -0.80 -0.01 116.66 116.43 2d2r n ARG 170 Ca 0.10 1.17 0.09 0.00 -1.00 0.00 0.00 57.85 58.20 2d2r n ARG 170 Cb 0.29 -1.93 0.38 0.00 -1.05 0.00 0.00 32.46 30.15 2d2r n ARG 170 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 2d2r n ASN 171 N -5.04 5.19 -4.95 2.89 5.03 -1.26 -4.89 115.26 112.23 2d2r n ASN 171 Ca 0.22 -2.65 -0.25 0.00 0.87 0.00 0.00 54.58 52.77 2d2r n ASN 171 Cb 0.74 -0.63 -0.03 0.00 -1.02 0.00 0.00 39.78 38.84 2d2r n ASN 171 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2d2r s LEU 172 N -2.23 4.32 0.81 3.41 1.43 0.98 -5.11 118.68 122.29 2d2r s LEU 172 Ca 0.53 0.17 -0.11 0.00 -1.03 0.00 0.00 54.13 53.70 2d2r s LEU 172 Cb 0.37 -2.93 0.08 0.00 0.03 0.00 0.00 46.19 43.74 2d2r s LEU 172 CO 0.21 0.02 1.09 -2.84 0.23 0.00 0.00 176.35 175.06 2d2r s PRO 173 N -3.39 1.97 0.92 1.29 0.02 -1.26 -5.00 135.00 129.54 2d2r s PRO 173 Ca 0.35 1.13 -0.11 0.00 0.02 0.00 0.00 61.00 62.38 2d2r s PRO 173 Cb -0.11 -1.87 0.14 0.00 0.02 0.00 0.00 34.50 32.69 2d2r s PRO 173 CO 0.29 -1.84 1.09 -1.21 -0.33 0.00 0.00 177.00 175.00 2d2r s GLU 174 N -4.89 1.05 0.02 5.54 0.41 -1.26 -4.92 118.70 114.65 2d2r s GLU 174 Ca 0.62 0.99 -0.30 0.00 -0.41 0.00 0.00 54.97 55.87 2d2r s GLU 174 Cb -0.18 -1.77 -0.05 0.00 -1.78 0.00 0.00 34.13 30.35 2d2r s GLU 174 CO 0.56 -2.43 1.23 0.08 -0.49 0.00 0.00 175.26 174.21 2d2r s VAL 175 N -2.82 4.04 -0.11 2.63 1.01 -0.34 -4.43 120.40 120.38 2d2r s VAL 175 Ca 0.64 1.44 0.07 0.00 0.00 0.00 0.00 61.98 64.13 2d2r s VAL 175 Cb -0.20 -3.92 -0.24 0.00 0.00 0.00 0.00 36.38 32.03 2d2r s VAL 175 CO 0.58 0.06 0.40 0.47 0.00 0.00 0.00 175.10 176.61 2d2r n ASP 176 N 4.47 1.19 -3.71 3.32 8.00 0.23 -3.99 116.55 126.07 2d2r n ASP 176 Ca 0.10 0.24 -0.18 0.00 0.71 0.00 0.00 54.79 55.66 2d2r n ASP 176 Cb 0.46 -0.15 -0.17 0.00 -0.02 0.00 0.00 41.12 41.24 2d2r n ASP 176 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2d2r s LEU 177 N -6.30 0.48 -0.24 0.64 0.20 -1.12 -1.20 118.68 111.14 2d2r s LEU 177 Ca -0.13 0.09 -0.03 0.00 0.69 0.00 0.00 54.13 54.74 2d2r s LEU 177 Cb 0.07 -0.08 0.01 0.00 -0.43 0.00 0.00 46.19 45.77 2d2r s LEU 177 CO 0.79 -0.20 -0.04 -0.22 -0.29 0.00 0.00 176.35 176.38 2d2r s LEU 178 N 1.75 3.07 -0.07 -0.68 2.96 -0.23 -1.33 118.68 124.16 2d2r s LEU 178 Ca -0.01 -0.62 0.03 0.00 -0.22 0.00 0.00 54.13 53.31 2d2r s LEU 178 Cb -0.12 -1.71 -0.02 0.00 0.50 0.00 0.00 46.19 44.83 2d2r s LEU 178 CO -0.03 -0.08 -0.14 -0.22 -1.32 0.00 0.00 176.35 174.56 2d2r s LEU 179 N 1.41 2.75 -0.15 -0.68 2.96 0.19 -1.54 118.68 123.63 2d2r s LEU 179 Ca 0.03 -0.21 0.01 0.00 -0.22 0.00 0.00 54.13 53.74 2d2r s LEU 179 Cb -0.15 -1.57 0.02 0.00 0.50 0.00 0.00 46.19 44.98 2d2r s LEU 179 CO -0.04 0.31 -0.17 -0.60 -1.32 0.00 0.00 176.35 174.53 2d2r s ARG 180 N -0.51 2.61 0.60 1.98 3.52 -0.32 -0.71 118.95 126.12 2d2r s ARG 180 Ca 0.07 -0.69 0.02 0.00 -0.13 0.00 0.00 55.73 55.01 2d2r s ARG 180 Cb -0.12 -2.26 0.07 0.00 -1.56 0.00 0.00 34.95 31.09 2d2r s ARG 180 CO 0.02 -0.16 0.83 0.95 -0.81 0.00 0.00 175.30 176.13 2d2r s THR 181 N 1.23 2.44 0.00 4.11 -4.23 -0.83 -1.22 115.64 117.14 2d2r s THR 181 Ca 0.01 -0.72 0.00 0.00 -1.18 0.00 0.00 61.69 59.80 2d2r s THR 181 Cb -0.14 -2.72 0.00 0.00 1.34 0.00 0.00 72.50 70.98 2d2r s THR 181 CO -0.08 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.61 2d2r n GLY 182 N -2.45 0.75 0.50 3.99 0.00 0.20 -3.92 105.19 104.27 2d2r n GLY 182 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2d2r n GLY 182 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2d2r n GLY 183 N -2.00 3.13 3.82 -0.02 0.00 -0.52 -4.85 105.19 104.74 2d2r n GLY 183 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 2d2r n GLY 183 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2d2r s GLU 184 N -0.33 4.16 -0.69 1.61 0.41 -1.26 -4.87 118.70 117.72 2d2r s GLU 184 Ca 0.00 1.14 0.05 0.00 -0.41 0.00 0.00 54.97 55.75 2d2r s GLU 184 Cb 0.00 -2.17 0.19 0.00 -1.78 0.00 0.00 34.13 30.38 2d2r s GLU 184 CO 0.00 -0.09 0.58 -1.33 -0.49 0.00 0.00 175.26 173.93 2d2r n MET 185 N -0.73 2.08 -3.81 1.61 2.81 -1.26 -4.89 117.12 112.92 2d2r n MET 185 Ca 0.07 -4.55 -0.11 0.00 -1.81 0.00 0.00 57.70 51.30 2d2r n MET 185 Cb 0.54 -2.28 -0.08 0.00 -0.71 0.00 0.00 33.22 30.68 2d2r n MET 185 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 2d2r s ARG 186 N -1.79 0.71 0.27 0.03 0.52 -1.26 -5.07 118.95 112.37 2d2r s ARG 186 Ca 0.29 -0.55 0.24 0.00 -0.52 0.00 0.00 55.73 55.19 2d2r s ARG 186 Cb 0.02 0.30 0.30 0.00 0.52 0.00 0.00 34.95 36.09 2d2r s ARG 186 CO -0.12 -0.21 1.40 -0.07 0.02 0.00 0.00 175.30 176.32 2d2r h LEU 187 N 3.47 0.00 -1.68 2.53 3.38 -1.96 -3.48 115.31 117.56 2d2r h LEU 187 Ca -0.32 -0.04 -0.54 0.00 0.09 0.00 0.00 57.88 57.08 2d2r h LEU 187 Cb 1.19 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.81 2d2r h LEU 187 CO 0.46 0.02 -0.88 -1.20 0.09 0.00 0.00 178.44 176.93 2d2r n SER 188 N -2.67 -1.04 -3.75 -0.43 7.64 -1.26 -2.39 113.62 109.73 2d2r n SER 188 Ca 0.03 -1.05 -0.26 0.00 1.01 0.00 0.00 58.87 58.59 2d2r n SER 188 Cb 0.51 -2.72 0.05 0.00 -1.01 0.00 0.00 64.21 61.03 2d2r n SER 188 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2d2r n ASN 189 N -2.86 -4.97 -4.05 6.43 5.15 -1.26 -4.91 115.26 108.79 2d2r n ASN 189 Ca -0.19 -0.68 -0.31 0.00 -0.60 0.00 0.00 54.58 52.79 2d2r n ASN 189 Cb 0.63 -4.41 -0.16 0.00 -0.53 0.00 0.00 39.78 35.31 2d2r n ASN 189 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 2d2r s PHE 190 N -3.34 2.52 -1.58 1.20 5.36 -1.00 -0.28 117.98 120.84 2d2r s PHE 190 Ca 0.54 -1.54 -0.13 0.00 -0.96 0.00 0.00 56.93 54.85 2d2r s PHE 190 Cb -0.26 -1.74 0.10 0.00 -0.34 0.00 0.00 43.02 40.78 2d2r s PHE 190 CO 0.79 -0.75 0.75 1.28 -1.46 0.00 0.00 175.22 175.82 2d2r n LEU 191 N 4.67 -2.07 0.00 6.12 4.77 -1.26 -4.87 117.00 124.37 2d2r n LEU 191 Ca -0.18 -0.95 -0.11 0.00 -0.03 0.00 0.00 56.01 54.74 2d2r n LEU 191 Cb 0.49 -2.25 -0.05 0.00 -2.33 0.00 0.00 43.42 39.28 2d2r n LEU 191 CO 0.23 0.37 0.91 -0.07 -1.33 0.00 0.00 177.39 177.49 2d2r h LEU 192 N -1.73 0.10 -0.18 2.23 3.38 -1.94 0.13 115.31 117.30 2d2r h LEU 192 Ca -0.60 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.34 2d2r h LEU 192 Cb 1.38 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.10 2d2r h LEU 192 CO 0.71 0.07 0.00 -0.25 0.09 0.00 0.00 178.44 179.07 2d2r h TRP 193 N 0.12 0.34 0.00 1.13 2.91 -1.95 -3.10 115.95 115.40 2d2r h TRP 193 Ca 0.03 -0.06 0.00 0.00 1.13 0.00 0.00 58.89 60.00 2d2r h TRP 193 Cb -0.01 -0.09 0.00 0.00 -0.51 0.00 0.00 29.16 28.55 2d2r h TRP 193 CO -0.07 0.52 0.00 1.96 -1.03 0.00 0.00 178.44 179.81 2d2r h GLN 194 N 0.07 0.00 -0.53 2.65 7.50 -1.93 -2.88 115.11 119.98 2d2r h GLN 194 Ca 0.05 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.20 2d2r h GLN 194 Cb 0.38 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.91 2d2r h GLN 194 CO 0.01 0.00 0.00 0.43 -1.50 0.00 0.00 178.83 177.77 2d2r n SER 195 N -2.88 4.69 -0.36 1.46 7.64 0.02 -1.20 113.62 123.00 2d2r n SER 195 Ca 0.01 -2.63 0.26 0.00 1.01 0.00 0.00 58.87 57.52 2d2r n SER 195 Cb 0.27 -0.57 0.51 0.00 -1.01 0.00 0.00 64.21 63.42 2d2r n SER 195 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2d2r h SER 196 N 3.47 0.46 0.00 6.43 0.87 -1.47 -1.88 113.55 121.43 2d2r h SER 196 Ca 0.00 0.15 -0.01 0.00 -1.23 0.00 0.00 61.79 60.70 2d2r h SER 196 Cb 1.52 0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 63.55 2d2r h SER 196 CO 0.27 -0.08 -0.27 -1.22 -0.53 0.00 0.00 176.83 175.00 2d2r n TYR 197 N -4.88 0.00 -2.34 2.24 4.01 -1.26 -5.07 117.16 109.85 2d2r n TYR 197 Ca 0.31 -0.91 -0.36 0.00 -0.16 0.00 0.00 57.90 56.79 2d2r n TYR 197 Cb 1.04 -0.16 -0.01 0.00 -0.31 0.00 0.00 39.34 39.90 2d2r n TYR 197 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2d2r s ALA 198 N -2.27 2.86 0.06 -0.72 0.00 -0.71 -4.97 121.76 116.00 2d2r s ALA 198 Ca 0.28 0.81 -0.30 0.00 0.00 0.00 0.00 51.96 52.75 2d2r s ALA 198 Cb 0.26 -3.34 -0.05 0.00 0.00 0.00 0.00 23.12 20.00 2d2r s ALA 198 CO -0.01 -0.59 1.01 -1.21 0.00 0.00 0.00 175.76 174.97 2d2r s GLU 199 N -3.00 4.59 -0.13 0.00 0.41 -0.34 -4.82 118.70 115.41 2d2r s GLU 199 Ca 0.67 1.50 -0.10 0.00 -0.41 0.00 0.00 54.97 56.64 2d2r s GLU 199 Cb -0.24 -3.40 -0.05 0.00 -1.78 0.00 0.00 34.13 28.66 2d2r s GLU 199 CO 0.28 0.01 0.19 -0.51 -0.49 0.00 0.00 175.26 174.74 2d2r s LEU 200 N 0.61 4.34 0.04 1.80 1.43 -1.26 -1.06 118.68 124.57 2d2r s LEU 200 Ca 0.51 0.48 0.05 0.00 -1.03 0.00 0.00 54.13 54.14 2d2r s LEU 200 Cb -0.24 -2.18 -0.02 0.00 0.03 0.00 0.00 46.19 43.79 2d2r s LEU 200 CO 0.29 0.30 -0.14 -0.36 0.23 0.00 0.00 176.35 176.68 2d2r s PHE 201 N -0.51 1.20 -0.01 0.29 0.40 -0.59 -4.96 117.98 113.79 2d2r s PHE 201 Ca 0.15 -0.35 0.01 0.00 -0.60 0.00 0.00 56.93 56.14 2d2r s PHE 201 Cb -0.12 -0.71 -0.00 0.00 0.51 0.00 0.00 43.02 42.69 2d2r s PHE 201 CO 0.04 0.03 -0.04 -0.06 0.70 0.00 0.00 175.22 175.88 2d2r s PHE 202 N -0.85 0.42 0.02 0.36 0.08 -1.26 -1.17 117.98 115.58 2d2r s PHE 202 Ca 0.01 -0.08 0.01 0.00 0.12 0.00 0.00 56.93 56.99 2d2r s PHE 202 Cb -0.08 -0.29 -0.01 0.00 -0.57 0.00 0.00 43.02 42.07 2d2r s PHE 202 CO 0.01 -0.02 -0.04 -0.08 -0.10 0.00 0.00 175.22 174.99 2d2r s THR 203 N -0.00 0.27 -0.77 0.64 -1.32 -0.36 -4.95 115.64 109.15 2d2r s THR 203 Ca 0.00 -0.62 0.25 0.00 -1.21 0.00 0.00 61.69 60.12 2d2r s THR 203 Cb -0.03 -0.32 0.25 0.00 -1.51 0.00 0.00 72.50 70.89 2d2r s THR 203 CO -0.00 -0.23 1.77 -2.65 -2.21 0.00 0.00 174.62 171.29 2d2r n PRO 204 N 2.16 0.16 -1.64 7.08 -0.02 -1.26 -1.43 135.00 140.05 2d2r n PRO 204 Ca -0.19 0.21 -0.49 0.00 -2.02 0.00 0.00 63.50 61.02 2d2r n PRO 204 Cb 0.57 -1.72 -0.05 0.00 -0.02 0.00 0.00 33.50 32.28 2d2r n PRO 204 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2d2r n ILE 205 N -2.00 0.01 -2.58 4.25 5.41 -1.26 -3.95 119.36 119.24 2d2r n ILE 205 Ca 0.05 -0.00 -0.36 0.00 1.00 0.00 0.00 62.75 63.44 2d2r n ILE 205 Cb 0.34 -1.24 -0.04 0.00 -0.71 0.00 0.00 39.64 37.99 2d2r n ILE 205 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 2d2r s LEU 206 N 0.81 4.06 0.23 1.39 1.43 -1.26 -0.62 118.68 124.71 2d2r s LEU 206 Ca 0.82 1.97 -0.06 0.00 -1.03 0.00 0.00 54.13 55.82 2d2r s LEU 206 Cb -0.80 -4.30 0.39 0.00 0.03 0.00 0.00 46.19 41.52 2d2r s LEU 206 CO 0.42 -0.53 1.72 -0.25 0.23 0.00 0.00 176.35 177.94 2d2r h TRP 207 N 2.26 0.38 0.00 0.29 2.91 -1.51 0.11 115.95 120.39 2d2r h TRP 207 Ca -0.49 0.04 -0.00 0.00 1.13 0.00 0.00 58.89 59.57 2d2r h TRP 207 Cb 1.21 -0.06 -0.00 0.00 -0.51 0.00 0.00 29.16 29.80 2d2r h TRP 207 CO 0.58 0.02 -0.01 -1.35 -1.03 0.00 0.00 178.44 176.65 2d2r h PRO 208 N 0.36 0.00 0.00 2.65 0.11 -1.86 -2.11 132.00 131.15 2d2r h PRO 208 Ca 0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.49 2d2r h PRO 208 Cb 0.57 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.68 2d2r h PRO 208 CO -0.41 0.01 -0.84 -0.25 -0.21 0.00 0.00 178.00 176.30 2d2r n ASP 209 N -3.38 0.70 -4.73 -2.05 8.00 0.35 -4.83 116.55 110.61 2d2r n ASP 209 Ca -0.03 -0.51 -0.42 0.00 0.71 0.00 0.00 54.79 54.54 2d2r n ASP 209 Cb 0.10 0.69 -0.03 0.00 -0.02 0.00 0.00 41.12 41.86 2d2r n ASP 209 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2d2r s PHE 210 N -3.06 3.27 0.32 1.24 5.36 -0.80 -4.97 117.98 119.35 2d2r s PHE 210 Ca 0.08 1.18 0.07 0.00 -0.96 0.00 0.00 56.93 57.30 2d2r s PHE 210 Cb 0.16 -3.61 -0.06 0.00 -0.34 0.00 0.00 43.02 39.17 2d2r s PHE 210 CO 0.79 -1.94 -0.05 0.95 -1.46 0.00 0.00 175.22 173.51 2d2r s THR 211 N 0.36 1.82 0.42 0.12 -4.23 -1.26 -4.88 115.64 107.99 2d2r s THR 211 Ca 0.58 -2.13 0.10 0.00 -1.18 0.00 0.00 61.69 59.07 2d2r s THR 211 Cb -0.36 -2.60 0.29 0.00 1.34 0.00 0.00 72.50 71.17 2d2r s THR 211 CO 0.36 -0.21 2.03 -0.65 -0.54 0.00 0.00 174.62 175.61 2d2r h PRO 212 N 2.13 0.46 -0.49 3.99 0.11 -1.95 -1.10 132.00 135.15 2d2r h PRO 212 Ca -0.41 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.57 2d2r h PRO 212 Cb 1.24 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 2d2r h PRO 212 CO 0.70 0.30 -0.09 -0.22 -0.21 0.00 0.00 178.00 178.48 2d2r h LYS 213 N 0.47 0.89 -0.85 1.05 3.64 -1.99 0.20 116.57 119.99 2d2r h LYS 213 Ca 0.19 -0.30 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 2d2r h LYS 213 Cb 0.17 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.88 2d2r h LYS 213 CO -0.05 0.94 0.53 -0.44 -2.27 0.00 0.00 179.45 178.16 2d2r h ASP 214 N 0.80 1.00 0.02 4.20 3.32 -1.62 -0.02 116.42 124.12 2d2r h ASP 214 Ca 0.13 -0.04 -0.16 0.00 0.02 0.00 0.00 57.03 56.98 2d2r h ASP 214 Cb 0.60 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 2d2r h ASP 214 CO 0.04 0.75 -0.53 0.25 -1.72 0.00 0.00 179.24 178.03 2d2r h LEU 215 N 1.16 0.61 -0.89 1.55 5.85 -0.59 -2.09 115.31 120.90 2d2r h LEU 215 Ca 0.31 -0.31 0.02 0.00 0.84 0.00 0.00 57.88 58.74 2d2r h LEU 215 Cb -0.08 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 40.72 2d2r h LEU 215 CO -0.06 1.02 0.58 -0.33 -0.34 0.00 0.00 178.44 179.31 2d2r h GLU 216 N 0.43 1.13 -0.68 1.25 5.08 0.12 0.50 114.58 122.40 2d2r h GLU 216 Ca 0.01 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 2d2r h GLU 216 Cb 1.06 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 30.03 2d2r h GLU 216 CO 0.10 0.75 0.28 -0.91 -1.00 0.00 0.00 179.01 178.22 2d2r h ASN 217 N 1.16 0.94 -0.52 1.42 2.35 -0.70 -1.10 115.58 119.13 2d2r h ASN 217 Ca 0.34 -0.17 -0.05 0.00 -0.55 0.00 0.00 56.30 55.88 2d2r h ASN 217 Cb -0.06 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.04 2d2r h ASN 217 CO -0.10 0.85 0.14 0.40 -1.65 0.00 0.00 177.43 177.07 2d2r h ILE 218 N 0.96 1.24 -0.34 2.81 2.04 -0.74 -2.00 117.51 121.48 2d2r h ILE 218 Ca 0.23 -0.83 -0.12 0.00 1.00 0.00 0.00 64.86 65.14 2d2r h ILE 218 Cb 0.20 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 2d2r h ILE 218 CO -0.02 0.30 -0.29 0.40 0.00 0.00 0.00 178.15 178.54 2d2r h ILE 219 N 0.72 1.28 -0.77 -0.67 2.04 -0.73 0.57 117.51 119.95 2d2r h ILE 219 Ca 0.17 -1.42 -0.02 0.00 1.00 0.00 0.00 64.86 64.59 2d2r h ILE 219 Cb 0.31 1.34 -0.04 0.00 -0.74 0.00 0.00 36.82 37.69 2d2r h ILE 219 CO -0.00 0.47 0.41 0.28 0.00 0.00 0.00 178.15 179.31 2d2r h SER 220 N 0.61 0.95 -0.56 1.72 0.02 -1.04 -1.88 113.55 113.37 2d2r h SER 220 Ca 0.07 -0.08 -0.05 0.00 -0.84 0.00 0.00 61.79 60.89 2d2r h SER 220 Cb 0.81 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 63.08 2d2r h SER 220 CO 0.07 0.77 0.15 0.44 -1.14 0.00 0.00 176.83 177.12 2d2r h ASP 221 N 1.07 0.87 0.27 3.07 3.45 -0.62 -1.37 116.42 123.16 2d2r h ASP 221 Ca 0.27 -0.16 -0.01 0.00 0.43 0.00 0.00 57.03 57.56 2d2r h ASP 221 Cb 0.03 -0.23 -0.00 0.00 -0.56 0.00 0.00 39.33 38.57 2d2r h ASP 221 CO -0.04 0.84 -0.15 0.15 -1.57 0.00 0.00 179.24 178.46 2d2r h PHE 222 N 0.89 -0.40 -0.27 4.55 3.57 -0.16 0.73 116.94 125.85 2d2r h PHE 222 Ca 0.19 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 2d2r h PHE 222 Cb 0.31 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.18 2d2r h PHE 222 CO 0.02 -0.24 0.14 1.88 -2.23 0.00 0.00 178.31 177.88 2d2r h TYR 223 N -0.40 0.35 -0.26 0.41 0.05 -1.16 -0.72 116.97 115.25 2d2r h TYR 223 Ca -0.03 0.00 -0.15 0.00 0.05 0.00 0.00 58.73 58.60 2d2r h TYR 223 Cb 0.33 -0.12 -0.01 0.00 1.01 0.00 0.00 36.73 37.94 2d2r h TYR 223 CO -0.08 0.26 -0.44 0.87 -1.05 0.00 0.00 178.16 177.72 2d2r h LYS 224 N 0.37 0.64 -0.69 4.88 1.57 -0.75 -2.02 116.57 120.57 2d2r h LYS 224 Ca 0.10 -0.35 -0.04 0.00 -1.87 0.00 0.00 60.65 58.48 2d2r h LYS 224 Cb 0.03 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 2d2r h LYS 224 CO -0.02 0.96 0.26 0.00 -0.57 0.00 0.00 179.45 180.08 2d2r h ARG 225 N 0.52 1.05 -0.36 3.15 3.08 0.21 -1.69 114.38 120.34 2d2r h ARG 225 Ca 0.04 -0.20 -0.02 0.00 0.07 0.00 0.00 59.98 59.87 2d2r h ARG 225 Cb 0.98 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.84 2d2r h ARG 225 CO 0.09 0.88 0.14 0.28 -1.07 0.00 0.00 179.97 180.29 2d2r h VAL 226 N 0.99 1.14 -0.18 2.04 2.07 -0.88 -1.87 116.25 119.56 2d2r h VAL 226 Ca 0.23 -0.45 -0.19 0.00 0.82 0.00 0.00 66.70 67.12 2d2r h VAL 226 Cb 0.24 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 2d2r h VAL 226 CO -0.02 0.17 -0.64 -0.09 0.02 0.00 0.00 177.57 177.01 2d2r h ARG 227 N 0.50 0.67 -0.16 1.57 2.43 -1.01 -3.31 114.38 115.07 2d2r h ARG 227 Ca 0.13 -0.48 -0.13 0.00 -0.81 0.00 0.00 59.98 58.69 2d2r h ARG 227 Cb 0.11 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 2d2r h ARG 227 CO -0.01 1.10 -0.46 0.87 -1.51 0.00 0.00 179.97 179.95 2d2r h LYS 228 N 0.49 0.41 -0.15 0.20 1.57 -0.64 -2.60 116.57 115.84 2d2r h LYS 228 Ca -0.01 -0.22 -0.12 0.00 -1.87 0.00 0.00 60.65 58.43 2d2r h LYS 228 Cb 1.23 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.54 2d2r h LYS 228 CO 0.13 0.79 -0.42 0.27 -0.57 0.00 0.00 179.45 179.64 2d2r h PHE 229 N 0.33 0.42 0.00 -1.35 -5.15 -1.45 -2.29 116.94 107.45 2d2r h PHE 229 Ca 0.02 -0.12 0.00 0.00 -0.20 0.00 0.00 57.97 57.67 2d2r h PHE 229 Cb 0.94 -0.09 0.00 0.00 0.22 0.00 0.00 35.95 37.02 2d2r h PHE 229 CO 0.03 0.72 0.00 0.41 -2.00 0.00 0.00 178.31 177.47 2d2r n GLY 230 N -0.09 -1.31 0.89 6.09 0.00 -1.18 -5.16 105.19 104.42 2d2r n GLY 230 Ca -0.02 -0.13 0.12 0.00 0.00 0.00 0.00 46.02 46.00 2d2r n GLY 230 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11