#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kld n LEU 2 N 0.00 6.49 -4.88 0.00 4.77 -1.26 -4.76 117.00 117.35 1kld n LEU 2 Ca 0.00 -5.33 -0.24 0.00 -0.03 0.00 0.00 56.01 50.41 1kld n LEU 2 Cb 0.00 -1.14 -0.02 0.00 -2.33 0.00 0.00 43.42 39.93 1kld n LEU 2 CO 0.00 1.91 0.02 1.51 -1.33 0.00 0.00 177.39 179.50 1kld s ASP 3 N -1.78 4.76 0.00 -1.43 1.47 -1.26 -2.39 116.67 116.03 1kld s ASP 3 Ca 0.36 -1.05 0.17 0.00 1.18 0.00 0.00 52.55 53.21 1kld s ASP 3 Cb 0.13 -0.01 1.03 0.00 -0.34 0.00 0.00 42.92 43.72 1kld s ASP 3 CO -0.01 -0.91 1.56 0.35 0.68 0.00 0.00 175.17 176.84 1kld n THR 4 N -1.66 0.00 -0.11 2.11 -2.24 -1.26 -2.52 114.28 108.60 1kld n THR 4 Ca 0.01 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.66 1kld n THR 4 Cb 0.63 -0.39 -0.14 0.00 -2.10 0.00 0.00 70.33 68.33 1kld n THR 4 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1kld n ASN 5 N -0.82 0.99 0.08 3.42 5.03 -1.26 -3.93 115.26 118.77 1kld n ASN 5 Ca 0.13 -0.06 0.04 0.00 0.87 0.00 0.00 54.58 55.55 1kld n ASN 5 Cb 0.06 0.34 -0.03 0.00 -1.02 0.00 0.00 39.78 39.14 1kld n ASN 5 CO 0.00 0.00 0.00 0.22 -1.83 0.00 0.00 177.26 175.65 1kld h TYR 6 N 0.00 0.00 0.00 3.10 3.20 -1.84 -3.30 116.97 118.13 1kld h TYR 6 Ca -0.55 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.32 1kld h TYR 6 Cb 2.07 0.00 0.00 0.00 1.54 0.00 0.00 36.73 40.34 1kld h TYR 6 CO 0.01 0.41 -0.18 0.00 -1.64 0.00 0.00 178.16 176.76 1kld n PHE 8 N -2.96 1.28 0.13 0.00 3.01 -1.24 -4.36 117.46 113.31 1kld n PHE 8 Ca 0.03 -0.77 0.00 0.00 1.01 0.00 0.00 57.45 57.72 1kld n PHE 8 Cb 0.53 -0.45 0.00 0.00 -0.01 0.00 0.00 39.48 39.54 1kld n PHE 8 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1kld n SER 9 N -0.01 -1.14 -4.92 4.37 7.64 -1.21 -5.06 113.62 113.29 1kld n SER 9 Ca 0.22 0.45 -0.26 0.00 1.01 0.00 0.00 58.87 60.30 1kld n SER 9 Cb 0.91 1.22 -0.01 0.00 -1.01 0.00 0.00 64.21 65.31 1kld n SER 9 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1kld s SER 10 N -3.98 6.29 0.00 6.43 0.01 -1.05 -5.06 113.70 116.34 1kld s SER 10 Ca 0.00 0.66 0.00 0.00 1.31 0.00 0.00 55.95 57.92 1kld s SER 10 Cb 0.00 -2.13 0.00 0.00 0.21 0.00 0.00 66.02 64.10 1kld s SER 10 CO 0.00 -0.40 0.00 0.35 0.41 0.00 0.00 173.24 173.60 1kld n THR 11 N -1.91 0.00 -0.47 1.44 -2.24 -1.26 -4.71 114.28 105.13 1kld n THR 11 Ca -0.02 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.80 1kld n THR 11 Cb 0.56 -0.48 -0.03 0.00 -2.10 0.00 0.00 70.33 68.28 1kld n THR 11 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1kld n GLU 12 N -0.85 -1.12 -0.07 -0.78 4.71 -1.26 -4.89 120.64 116.38 1kld n GLU 12 Ca 0.00 0.91 -0.08 0.00 -0.01 0.00 0.00 57.16 57.98 1kld n GLU 12 Cb 0.00 -1.26 -0.09 0.00 -1.01 0.00 0.00 31.44 29.08 1kld n GLU 12 CO 0.00 0.00 0.00 0.36 0.09 0.00 0.00 177.13 177.58 1kld n LYS 13 N -2.59 1.25 0.00 3.49 2.85 -1.26 -5.00 118.16 116.90 1kld n LYS 13 Ca -0.03 0.04 0.00 0.00 -1.05 0.00 0.00 58.31 57.27 1kld n LYS 13 Cb 0.21 -1.32 0.00 0.00 -0.65 0.00 0.00 35.03 33.27 1kld n LYS 13 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1kld n ASN 14 N -2.69 -1.37 -4.68 -5.58 5.03 -1.26 -4.61 115.26 100.09 1kld n ASN 14 Ca -0.24 0.00 -0.32 0.00 0.87 0.00 0.00 54.58 54.89 1kld n ASN 14 Cb 0.86 0.00 0.15 0.00 -1.02 0.00 0.00 39.78 39.77 1kld n ASN 14 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1kld n VAL 17 N 5.33 0.09 -2.95 0.00 3.14 -1.26 -3.48 118.33 119.20 1kld n VAL 17 Ca -0.07 -0.37 -0.29 0.00 -2.96 0.00 0.00 64.34 60.65 1kld n VAL 17 Cb 0.53 -1.79 -0.03 0.00 -1.06 0.00 0.00 33.84 31.50 1kld n VAL 17 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 1kld s ARG 18 N 7.29 3.70 0.54 1.45 3.00 0.12 -4.63 118.95 130.42 1kld s ARG 18 Ca 1.11 0.31 -0.22 0.00 0.00 0.00 0.00 55.73 56.93 1kld s ARG 18 Cb -0.72 -2.46 -0.05 0.00 0.00 0.00 0.00 34.95 31.72 1kld s ARG 18 CO 0.42 0.00 1.35 1.14 0.00 0.00 0.00 175.30 178.21 1kld s GLN 19 N -3.91 3.21 -0.33 3.54 -2.07 -1.26 -2.53 119.66 116.30 1kld s GLN 19 Ca 0.49 2.21 0.15 0.00 -1.82 0.00 0.00 55.36 56.39 1kld s GLN 19 Cb -0.10 -2.28 0.44 0.00 -1.09 0.00 0.00 33.01 29.97 1kld s GLN 19 CO 0.33 -1.13 1.30 -0.11 -1.32 0.00 0.00 175.29 174.36 1kld n LEU 20 N -0.95 -0.35 -4.57 2.60 7.94 -1.26 -4.77 117.00 115.63 1kld n LEU 20 Ca 0.10 -3.31 -0.50 0.00 -1.11 0.00 0.00 56.01 51.19 1kld n LEU 20 Cb 0.45 0.22 -0.05 0.00 0.53 0.00 0.00 43.42 44.58 1kld n LEU 20 CO 0.53 1.57 0.75 0.00 -1.11 0.00 0.00 177.39 179.12 1kld n TYR 21 N -0.85 1.27 -4.07 1.96 4.19 -1.26 -3.50 117.16 114.89 1kld n TYR 21 Ca -0.04 0.70 -0.32 0.00 3.31 0.00 0.00 57.90 61.55 1kld n TYR 21 Cb 0.84 -2.27 -0.16 0.00 0.49 0.00 0.00 39.34 38.24 1kld n TYR 21 CO 0.00 0.00 0.00 0.42 0.91 0.00 0.00 176.86 178.19 1kld s ILE 22 N 0.01 1.93 -0.89 2.97 1.01 -0.60 -4.86 121.20 120.76 1kld s ILE 22 Ca 0.78 -1.09 -0.22 0.00 0.00 0.00 0.00 60.65 60.11 1kld s ILE 22 Cb -0.92 -1.88 0.07 0.00 0.01 0.00 0.00 42.46 39.74 1kld s ILE 22 CO 0.51 0.30 1.26 -0.62 0.00 0.00 0.00 174.94 176.39 1kld s ASP 23 N 1.29 6.43 0.00 3.58 2.15 -1.26 -2.53 116.67 126.33 1kld s ASP 23 Ca 0.00 -1.38 0.00 0.00 0.43 0.00 0.00 52.55 51.60 1kld s ASP 23 Cb -0.15 -2.50 0.00 0.00 -0.30 0.00 0.00 42.92 39.97 1kld s ASP 23 CO -0.10 -1.43 0.00 0.49 -0.17 0.00 0.00 175.17 173.96 1kld n PHE 24 N 8.15 0.00 0.08 -5.34 3.72 -0.21 0.21 117.46 124.08 1kld n PHE 24 Ca 0.20 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.37 1kld n PHE 24 Cb 0.49 -0.29 -0.15 0.00 -0.94 0.00 0.00 39.48 38.59 1kld n PHE 24 CO 0.00 0.00 0.00 0.07 -0.05 0.00 0.00 176.76 176.78 1kld h ARG 25 N 0.00 0.42 -0.12 -1.08 0.11 -1.77 0.80 114.38 112.74 1kld h ARG 25 Ca 0.00 -0.71 -0.00 0.00 0.10 0.00 0.00 59.98 59.37 1kld h ARG 25 Cb 0.00 0.26 -0.01 0.00 1.11 0.00 0.00 29.97 31.34 1kld h ARG 25 CO 0.00 1.34 0.06 -0.22 0.10 0.00 0.00 179.97 181.25 1kld h LYS 26 N 0.11 0.18 0.00 0.08 1.63 0.21 -1.07 116.57 117.71 1kld h LYS 26 Ca -0.33 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.44 1kld h LYS 26 Cb 2.11 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 33.71 1kld h LYS 26 CO 0.19 0.23 -0.35 -0.44 -3.45 0.00 0.00 179.45 175.63 1kld h ASP 27 N 0.08 0.00 0.69 4.20 3.32 -1.38 -3.40 116.42 119.93 1kld h ASP 27 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1kld h ASP 27 Cb 0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.66 1kld h ASP 27 CO -0.01 0.54 -0.47 0.18 -1.72 0.00 0.00 179.24 177.77 1kld n LEU 28 N -4.00 0.50 -0.58 1.55 4.77 -1.03 -4.90 117.00 113.32 1kld n LEU 28 Ca -0.05 0.14 -0.08 0.00 -0.03 0.00 0.00 56.01 56.00 1kld n LEU 28 Cb 0.18 -0.26 -0.03 0.00 -2.33 0.00 0.00 43.42 40.98 1kld n LEU 28 CO 0.07 0.05 -0.07 0.61 -1.33 0.00 0.00 177.39 176.72 1kld n GLY 29 N 1.45 0.74 3.58 -0.72 0.00 0.26 -4.84 105.19 105.65 1kld n GLY 29 Ca 0.05 -0.02 -0.56 0.00 0.00 0.00 0.00 46.02 45.49 1kld n GLY 29 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1kld n TRP 30 N -2.19 1.26 0.50 1.61 7.02 0.19 -4.76 117.44 121.07 1kld n TRP 30 Ca -0.08 0.81 0.06 0.00 -1.02 0.00 0.00 57.50 57.27 1kld n TRP 30 Cb 0.54 -2.25 -0.07 0.00 -2.42 0.00 0.00 31.31 27.11 1kld n TRP 30 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 1kld n LYS 31 N 2.50 2.88 0.00 -0.99 5.02 -1.26 -4.37 118.16 121.93 1kld n LYS 31 Ca 0.20 -0.01 0.14 0.00 -2.02 0.00 0.00 58.31 56.63 1kld n LYS 31 Cb 0.13 -1.07 0.65 0.00 -0.02 0.00 0.00 35.03 34.71 1kld n LYS 31 CO 0.00 0.00 0.00 -2.67 -0.52 0.00 0.00 177.40 174.21 1kld n TRP 32 N -1.33 0.00 -4.86 2.13 4.27 -1.26 -4.77 117.44 111.62 1kld n TRP 32 Ca 0.02 0.00 -0.28 0.00 -3.89 0.00 0.00 57.50 53.35 1kld n TRP 32 Cb 0.19 -0.05 -0.17 0.00 -1.36 0.00 0.00 31.31 29.93 1kld n TRP 32 CO 0.00 0.00 0.00 0.42 -2.29 0.00 0.00 177.69 175.82 1kld s ILE 33 N -2.15 1.52 -0.25 -1.67 1.01 -1.26 -4.18 121.20 114.23 1kld s ILE 33 Ca 0.38 -0.71 -0.16 0.00 0.00 0.00 0.00 60.65 60.16 1kld s ILE 33 Cb 0.21 -1.35 -0.16 0.00 0.01 0.00 0.00 42.46 41.17 1kld s ILE 33 CO 0.39 0.44 -0.10 1.57 0.00 0.00 0.00 174.94 177.24 1kld n HIS 34 N 3.67 0.45 -4.20 3.97 -0.00 -0.40 -4.94 115.22 113.77 1kld n HIS 34 Ca -0.21 0.18 -0.15 0.00 -0.00 0.00 0.00 57.72 57.54 1kld n HIS 34 Cb 0.52 -1.05 -0.11 0.00 -0.00 0.00 0.00 29.99 29.36 1kld n HIS 34 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1kld s GLU 35 N -2.45 0.91 0.90 1.57 2.02 -0.93 -4.32 118.70 116.39 1kld s GLU 35 Ca -0.34 -1.19 -0.14 0.00 0.02 0.00 0.00 54.97 53.32 1kld s GLU 35 Cb 0.11 -0.65 0.14 0.00 0.10 0.00 0.00 34.13 33.83 1kld s GLU 35 CO 0.55 0.11 1.21 -1.25 0.02 0.00 0.00 175.26 175.90 1kld s PRO 36 N -2.77 1.20 0.35 0.39 0.04 -1.26 -0.26 135.00 132.70 1kld s PRO 36 Ca 0.07 -0.02 0.07 0.00 0.04 0.00 0.00 61.00 61.15 1kld s PRO 36 Cb -0.03 -1.88 0.75 0.00 0.04 0.00 0.00 34.50 33.38 1kld s PRO 36 CO 0.01 -2.09 1.92 0.87 0.04 0.00 0.00 177.00 177.74 1kld h LYS 37 N -1.42 0.74 0.00 4.56 6.56 -1.97 -3.44 116.57 121.60 1kld h LYS 37 Ca -0.46 -0.04 0.00 0.00 -1.06 0.00 0.00 60.65 59.08 1kld h LYS 37 Cb 1.30 -0.17 0.00 0.00 -0.57 0.00 0.00 32.23 32.79 1kld h LYS 37 CO 0.55 0.49 0.00 0.41 -2.06 0.00 0.00 179.45 178.83 1kld n GLY 38 N -1.44 2.69 3.70 3.86 0.00 -1.26 -1.05 105.19 111.69 1kld n GLY 38 Ca 0.14 -0.50 0.04 0.00 0.00 0.00 0.00 46.02 45.70 1kld n GLY 38 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1kld s TYR 39 N -1.50 -0.00 -1.15 1.61 1.13 -1.05 -4.87 117.35 111.51 1kld s TYR 39 Ca 0.00 -0.01 -0.17 0.00 -1.41 0.00 0.00 57.07 55.48 1kld s TYR 39 Cb 0.00 0.51 0.13 0.00 -1.10 0.00 0.00 41.96 41.50 1kld s TYR 39 CO 0.00 -0.03 1.43 -1.01 -2.51 0.00 0.00 175.55 173.43 1kld s HIS 40 N -2.03 3.18 0.14 -3.49 3.76 -1.26 -1.56 115.29 114.03 1kld s HIS 40 Ca 0.20 -1.75 -0.12 0.00 -0.15 0.00 0.00 55.06 53.24 1kld s HIS 40 Cb 0.05 -4.44 -0.01 0.00 1.11 0.00 0.00 32.58 29.29 1kld s HIS 40 CO -0.06 -1.55 1.53 0.00 -0.85 0.00 0.00 174.74 173.81 1kld h ALA 41 N 7.85 0.61 -2.90 -1.40 0.00 -1.87 -3.39 119.26 118.16 1kld h ALA 41 Ca 0.30 -0.36 0.33 0.00 0.00 0.00 0.00 54.91 55.18 1kld h ALA 41 Cb 0.92 -0.15 -0.11 0.00 0.00 0.00 0.00 17.79 18.44 1kld h ALA 41 CO 1.28 0.55 -0.69 0.09 0.00 0.00 0.00 179.25 180.48 1kld n ASN 42 N -4.22 -7.54 0.00 0.00 3.02 -1.23 -2.36 115.26 102.93 1kld n ASN 42 Ca -0.01 0.78 0.00 0.00 -0.03 0.00 0.00 54.58 55.32 1kld n ASN 42 Cb 0.42 -3.99 0.00 0.00 -0.61 0.00 0.00 39.78 35.60 1kld n ASN 42 CO 0.00 0.00 0.00 2.22 -2.62 0.00 0.00 177.26 176.86 1kld n PHE 43 N -4.00 0.00 -4.78 3.10 -1.74 -1.05 -4.68 117.46 104.31 1kld n PHE 43 Ca -0.02 0.00 -0.33 0.00 -0.56 0.00 0.00 57.45 56.54 1kld n PHE 43 Cb 0.58 0.00 -0.14 0.00 1.52 0.00 0.00 39.48 41.44 1kld n PHE 43 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1kld n LEU 45 N 3.35 0.00 -1.37 0.00 4.77 -1.23 -4.81 117.00 117.72 1kld n LEU 45 Ca -0.18 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 1kld n LEU 45 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 1kld n LEU 45 CO 0.30 0.00 -0.40 0.61 -1.33 0.00 0.00 177.39 176.57 1kld n GLY 46 N 4.58 -4.24 3.85 -0.72 0.00 -1.26 -3.01 105.19 104.39 1kld n GLY 46 Ca 0.00 -0.82 -0.32 0.00 0.00 0.00 0.00 46.02 44.89 1kld n GLY 46 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1kld s PRO 47 N -4.45 3.57 -0.35 1.61 0.04 -1.26 -4.25 135.00 129.91 1kld s PRO 47 Ca 0.00 0.90 -0.17 0.00 0.04 0.00 0.00 61.00 61.76 1kld s PRO 47 Cb 0.00 -2.08 -0.00 0.00 0.04 0.00 0.00 34.50 32.46 1kld s PRO 47 CO 0.00 -0.59 0.48 0.00 0.04 0.00 0.00 177.00 176.93 1kld n PRO 49 N 5.66 0.97 -0.95 0.00 -0.04 -1.26 -4.66 135.00 134.71 1kld n PRO 49 Ca -0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 1kld n PRO 49 Cb 0.49 0.00 0.35 0.00 -0.04 0.00 0.00 33.50 34.30 1kld n PRO 49 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1kld n TYR 50 N -0.22 2.24 0.00 0.54 4.11 -1.26 -4.43 117.16 118.15 1kld n TYR 50 Ca 0.00 -0.99 0.00 0.00 -0.00 0.00 0.00 57.90 56.91 1kld n TYR 50 Cb 0.00 -0.60 0.00 0.00 -0.00 0.00 0.00 39.34 38.74 1kld n TYR 50 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 176.86 177.30 1kld n ILE 51 N 0.17 0.00 -0.80 -3.48 -5.35 -1.26 -5.04 119.36 103.60 1kld n ILE 51 Ca 0.35 0.00 -0.34 0.00 -0.27 0.00 0.00 62.75 62.48 1kld n ILE 51 Cb 1.29 -0.02 0.12 0.00 -1.74 0.00 0.00 39.64 39.29 1kld n ILE 51 CO 0.00 0.00 0.00 1.87 -1.76 0.00 0.00 176.55 176.66 1kld n TRP 52 N -1.36 -1.71 -1.53 4.28 -0.00 -1.26 -4.45 117.44 111.41 1kld n TRP 52 Ca 0.00 0.27 -0.21 0.00 -0.00 0.00 0.00 57.50 57.56 1kld n TRP 52 Cb 0.02 -1.54 -0.14 0.00 -0.00 0.00 0.00 31.31 29.64 1kld n TRP 52 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 177.69 178.12 1kld n SER 53 N 0.07 0.30 -4.74 5.87 7.64 -1.26 -4.87 113.62 116.62 1kld n SER 53 Ca 0.01 -0.89 -0.37 0.00 1.01 0.00 0.00 58.87 58.62 1kld n SER 53 Cb 0.64 -1.11 -0.07 0.00 -1.01 0.00 0.00 64.21 62.66 1kld n SER 53 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1kld s LEU 54 N 7.77 4.28 -0.27 -3.43 1.43 -1.26 -4.08 118.68 123.11 1kld s LEU 54 Ca 1.14 0.64 -0.12 0.00 -1.03 0.00 0.00 54.13 54.76 1kld s LEU 54 Cb -0.53 -2.48 -0.13 0.00 0.03 0.00 0.00 46.19 43.09 1kld s LEU 54 CO 0.34 0.10 -0.34 0.47 0.23 0.00 0.00 176.35 177.15 1kld n ASP 55 N 3.39 1.95 -4.90 2.29 9.92 -1.26 -4.97 116.55 122.97 1kld n ASP 55 Ca -0.11 0.27 -0.31 0.00 -0.53 0.00 0.00 54.79 54.11 1kld n ASP 55 Cb 0.52 -0.75 -0.04 0.00 -0.64 0.00 0.00 41.12 40.20 1kld n ASP 55 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1kld s THR 56 N -2.50 5.12 0.26 -3.53 -4.23 -1.26 -4.99 115.64 104.50 1kld s THR 56 Ca -0.38 0.05 0.08 0.00 -1.18 0.00 0.00 61.69 60.26 1kld s THR 56 Cb 0.14 -3.65 -0.04 0.00 1.34 0.00 0.00 72.50 70.29 1kld s THR 56 CO 0.50 -0.06 1.58 -0.61 -0.54 0.00 0.00 174.62 175.50 1kld h GLN 57 N 2.51 0.07 0.00 3.99 5.75 -1.95 -2.70 115.11 122.78 1kld h GLN 57 Ca -0.47 -0.05 -0.03 0.00 -0.15 0.00 0.00 58.65 57.95 1kld h GLN 57 Cb 1.17 0.01 -0.00 0.00 1.07 0.00 0.00 27.48 29.73 1kld h GLN 57 CO 0.71 0.68 -0.16 -0.92 -2.65 0.00 0.00 178.83 176.48 1kld h TYR 58 N 0.05 0.00 0.00 3.99 3.20 -1.98 -0.63 116.97 121.61 1kld h TYR 58 Ca -0.01 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.83 1kld h TYR 58 Cb 1.12 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.39 1kld h TYR 58 CO 0.01 0.16 -0.16 0.77 -1.64 0.00 0.00 178.16 177.30 1kld h SER 59 N 0.00 0.00 0.19 -2.11 0.02 -1.79 -0.89 113.55 108.97 1kld h SER 59 Ca -0.00 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.69 1kld h SER 59 Cb 0.33 0.00 0.03 0.00 0.14 0.00 0.00 62.40 62.90 1kld h SER 59 CO 0.02 0.16 -1.14 0.50 -1.14 0.00 0.00 176.83 175.23 1kld h LYS 60 N 0.00 0.39 0.09 3.45 1.63 -1.18 -2.91 116.57 118.04 1kld h LYS 60 Ca -0.00 -0.67 -0.00 0.00 -0.85 0.00 0.00 60.65 59.12 1kld h LYS 60 Cb 0.56 0.25 0.00 0.00 -0.60 0.00 0.00 32.23 32.44 1kld h LYS 60 CO 0.02 1.32 -0.04 0.28 -3.45 0.00 0.00 179.45 177.58 1kld h VAL 61 N -0.16 0.00 -0.86 2.00 2.07 -1.28 -3.07 116.25 114.95 1kld h VAL 61 Ca -0.20 -0.10 0.25 0.00 0.82 0.00 0.00 66.70 67.46 1kld h VAL 61 Cb 1.87 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.60 1kld h VAL 61 CO 0.19 0.00 0.91 0.25 0.02 0.00 0.00 177.57 178.95 1kld h LEU 62 N -0.22 0.00 0.12 2.57 5.85 -1.36 0.33 115.31 122.60 1kld h LEU 62 Ca -0.01 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.72 1kld h LEU 62 Cb 0.09 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 1kld h LEU 62 CO 0.02 0.00 -0.17 0.00 -0.34 0.00 0.00 178.44 177.95 1kld h ALA 63 N 0.98 -0.30 -0.04 1.25 0.00 -1.41 -2.03 119.26 117.71 1kld h ALA 63 Ca 0.41 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 55.15 1kld h ALA 63 Cb 2.22 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 20.25 1kld h ALA 63 CO -0.00 -0.70 -0.58 -0.07 0.00 0.00 0.00 179.25 177.90 1kld h LEU 64 N -0.34 0.15 -1.51 0.00 3.38 -0.39 -1.81 115.31 114.79 1kld h LEU 64 Ca 0.02 -0.08 0.21 0.00 0.09 0.00 0.00 57.88 58.12 1kld h LEU 64 Cb 0.35 -0.04 -0.07 0.00 0.09 0.00 0.00 40.66 40.98 1kld h LEU 64 CO -0.07 0.69 0.61 0.22 0.09 0.00 0.00 178.44 179.98 1kld h TYR 65 N 0.10 0.53 0.00 1.13 3.20 -0.63 0.12 116.97 121.42 1kld h TYR 65 Ca -0.00 0.02 -0.21 0.00 3.14 0.00 0.00 58.73 61.68 1kld h TYR 65 Cb 1.05 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 39.12 1kld h TYR 65 CO 0.01 0.13 -1.25 -1.71 -1.64 0.00 0.00 178.16 173.70 1kld n ASN 66 N -4.51 1.86 0.30 -2.11 4.05 -0.94 -3.17 115.26 110.74 1kld n ASN 66 Ca 0.20 0.45 0.10 0.00 0.45 0.00 0.00 54.58 55.78 1kld n ASN 66 Cb 0.73 -0.93 0.52 0.00 1.23 0.00 0.00 39.78 41.34 1kld n ASN 66 CO 0.00 0.00 0.00 1.56 -3.05 0.00 0.00 177.26 175.77 1kld h GLN 67 N -1.00 0.00 0.07 1.20 1.08 -0.97 0.20 115.11 115.69 1kld h GLN 67 Ca -0.31 0.00 -0.35 0.00 -1.45 0.00 0.00 58.65 56.53 1kld h GLN 67 Cb 1.18 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.57 1kld h GLN 67 CO -0.19 0.00 -2.00 0.72 -0.95 0.00 0.00 178.83 176.41 1kld n HIS 68 N -2.61 0.90 -3.50 2.96 8.25 0.38 -4.77 115.22 116.82 1kld n HIS 68 Ca -0.01 0.23 -0.42 0.00 -0.26 0.00 0.00 57.72 57.25 1kld n HIS 68 Cb 0.53 -1.11 -0.10 0.00 1.12 0.00 0.00 29.99 30.42 1kld n HIS 68 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 1kld s ASN 69 N -6.94 5.97 -0.35 0.41 0.01 0.71 -5.04 114.94 109.72 1kld s ASN 69 Ca -0.27 -1.02 -0.29 0.00 -0.71 0.00 0.00 52.86 50.57 1kld s ASN 69 Cb 0.07 -2.11 0.01 0.00 0.41 0.00 0.00 41.25 39.64 1kld s ASN 69 CO 0.69 -0.46 1.22 -2.16 -1.51 0.00 0.00 177.10 174.88 1kld s PRO 70 N 1.62 3.89 0.00 -0.60 0.04 -1.26 -3.24 135.00 135.46 1kld s PRO 70 Ca 0.04 1.05 0.00 0.00 0.04 0.00 0.00 61.00 62.13 1kld s PRO 70 Cb -0.20 -3.86 0.00 0.00 0.04 0.00 0.00 34.50 30.48 1kld s PRO 70 CO 0.08 -1.15 0.00 0.41 0.04 0.00 0.00 177.00 176.38 1kld n GLY 71 N 4.36 1.08 3.57 0.56 0.00 -1.26 -5.10 105.19 108.39 1kld n GLY 71 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 1kld n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kld s ALA 72 N -1.96 3.38 -1.23 4.61 0.00 -1.20 -4.95 121.76 120.40 1kld s ALA 72 Ca 0.00 -0.95 0.08 0.00 0.00 0.00 0.00 51.96 51.08 1kld s ALA 72 Cb 0.00 -2.13 0.32 0.00 0.00 0.00 0.00 23.12 21.31 1kld s ALA 72 CO 0.00 -0.22 1.12 0.43 0.00 0.00 0.00 175.76 177.09 1kld n SER 73 N 4.37 2.48 0.00 0.00 7.64 -1.26 -4.00 113.62 122.84 1kld n SER 73 Ca -0.16 -2.23 0.08 0.00 1.01 0.00 0.00 58.87 57.58 1kld n SER 73 Cb 0.52 -0.43 0.50 0.00 -1.01 0.00 0.00 64.21 63.80 1kld n SER 73 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1kld n ALA 74 N 0.34 2.51 -0.56 -0.43 0.00 -1.26 -4.86 120.51 116.25 1kld n ALA 74 Ca 0.11 -0.11 -0.18 0.00 0.00 0.00 0.00 53.44 53.27 1kld n ALA 74 Cb 0.49 -1.28 0.14 0.00 0.00 0.00 0.00 19.45 18.81 1kld n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kld n ALA 75 N -0.79 -0.67 -1.00 0.00 0.00 -1.26 -4.89 120.51 111.91 1kld n ALA 75 Ca 0.13 -0.99 0.00 0.00 0.00 0.00 0.00 53.44 52.57 1kld n ALA 75 Cb 0.06 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 18.66 1kld n ALA 75 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1kld n PRO 76 N -1.47 -0.37 -3.40 0.00 -0.04 -1.26 -4.99 135.00 123.47 1kld n PRO 76 Ca 0.05 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.32 1kld n PRO 76 Cb 0.35 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.72 1kld n PRO 76 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1kld s VAL 79 N -1.20 0.00 -1.03 0.00 -7.23 -0.41 -4.81 120.40 105.72 1kld s VAL 79 Ca 0.61 -1.72 -0.21 0.00 -1.81 0.00 0.00 61.98 58.86 1kld s VAL 79 Cb -0.51 -2.62 0.08 0.00 0.56 0.00 0.00 36.38 33.88 1kld s VAL 79 CO 0.58 0.00 1.39 -2.16 -0.31 0.00 0.00 175.10 174.60 1kld s PRO 80 N -3.09 3.66 0.00 4.82 0.04 -1.26 -0.05 135.00 139.11 1kld s PRO 80 Ca 0.34 -1.47 0.00 0.00 0.04 0.00 0.00 61.00 59.91 1kld s PRO 80 Cb 0.00 -5.24 0.00 0.00 0.04 0.00 0.00 34.50 29.30 1kld s PRO 80 CO 0.23 -2.07 0.91 0.94 0.04 0.00 0.00 177.00 177.06 1kld n GLN 81 N 8.02 0.00 -3.16 4.56 7.27 0.50 -4.63 117.38 129.94 1kld n GLN 81 Ca 0.32 0.83 -0.18 0.00 0.07 0.00 0.00 57.00 58.04 1kld n GLN 81 Cb 0.50 -1.41 -0.00 0.00 2.41 0.00 0.00 30.24 31.73 1kld n GLN 81 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1kld s ALA 82 N -3.65 4.41 0.00 1.69 0.00 -1.09 -4.96 121.76 118.16 1kld s ALA 82 Ca 0.00 -1.71 0.00 0.00 0.00 0.00 0.00 51.96 50.25 1kld s ALA 82 Cb 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 23.12 21.64 1kld s ALA 82 CO 0.00 -0.26 0.00 1.28 0.00 0.00 0.00 175.76 176.78 1kld n LEU 83 N -1.77 0.00 -3.68 0.00 4.77 -1.26 -2.28 117.00 112.78 1kld n LEU 83 Ca 0.07 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.93 1kld n LEU 83 Cb 0.60 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.63 1kld n LEU 83 CO 0.40 0.00 0.12 -1.61 -1.33 0.00 0.00 177.39 174.97 1kld s GLU 84 N -1.13 0.96 0.00 3.23 2.02 -0.73 -4.55 118.70 118.51 1kld s GLU 84 Ca 0.00 -0.57 0.00 0.00 0.02 0.00 0.00 54.97 54.42 1kld s GLU 84 Cb 0.00 0.42 0.00 0.00 0.10 0.00 0.00 34.13 34.65 1kld s GLU 84 CO 0.00 -0.35 0.00 -0.35 0.02 0.00 0.00 175.26 174.58 1kld n PRO 85 N 0.16 0.61 -3.19 0.39 -0.04 -1.26 0.77 135.00 132.45 1kld n PRO 85 Ca -0.17 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.33 1kld n PRO 85 Cb 0.62 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.06 1kld n PRO 85 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1kld s LEU 86 N 0.00 -0.99 -0.36 1.53 2.96 0.19 -4.32 118.68 117.69 1kld s LEU 86 Ca 0.00 0.69 -0.29 0.00 -0.22 0.00 0.00 54.13 54.31 1kld s LEU 86 Cb 0.00 1.86 0.01 0.00 0.50 0.00 0.00 46.19 48.56 1kld s LEU 86 CO 0.00 -0.19 1.31 -2.16 -1.32 0.00 0.00 176.35 173.99 1kld s PRO 87 N 2.87 3.78 0.00 0.98 0.04 -1.26 0.33 135.00 141.75 1kld s PRO 87 Ca 0.10 1.05 0.00 0.00 0.04 0.00 0.00 61.00 62.20 1kld s PRO 87 Cb -0.13 -3.93 0.00 0.00 0.04 0.00 0.00 34.50 30.49 1kld s PRO 87 CO -0.17 -1.29 0.00 0.44 0.04 0.00 0.00 177.00 176.02 1kld n ILE 88 N 6.56 0.00 -3.23 0.56 -5.35 -0.96 -4.24 119.36 112.70 1kld n ILE 88 Ca 0.15 0.00 0.04 0.00 -0.27 0.00 0.00 62.75 62.66 1kld n ILE 88 Cb 0.47 0.00 -0.02 0.00 -1.74 0.00 0.00 39.64 38.36 1kld n ILE 88 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1kld s VAL 89 N 0.30 -0.80 0.13 7.28 1.01 0.64 -3.07 120.40 125.90 1kld s VAL 89 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.98 1kld s VAL 89 Cb 0.00 -1.00 -0.00 0.00 0.00 0.00 0.00 36.38 35.38 1kld s VAL 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.10 175.10 1kld n TYR 90 N 5.41 0.29 -4.51 5.22 4.11 -0.70 -1.28 117.16 125.71 1kld n TYR 90 Ca -0.04 -0.67 -0.22 0.00 -0.00 0.00 0.00 57.90 56.97 1kld n TYR 90 Cb 0.52 -0.08 -0.16 0.00 -0.00 0.00 0.00 39.34 39.62 1kld n TYR 90 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.86 177.57 1kld s TYR 91 N -1.52 1.14 -0.53 -3.48 1.51 -1.26 -1.77 117.35 111.44 1kld s TYR 91 Ca 0.00 -0.29 -0.02 0.00 -1.01 0.00 0.00 57.07 55.75 1kld s TYR 91 Cb 0.00 -0.79 0.14 0.00 -0.11 0.00 0.00 41.96 41.20 1kld s TYR 91 CO 0.00 -0.11 0.33 0.08 -1.11 0.00 0.00 175.55 174.74 1kld s VAL 92 N 0.12 3.42 0.00 0.71 1.01 -0.69 -4.88 120.40 120.10 1kld s VAL 92 Ca -0.03 -2.63 0.00 0.00 0.00 0.00 0.00 61.98 59.32 1kld s VAL 92 Cb -0.09 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 33.00 1kld s VAL 92 CO 0.01 -0.79 0.00 0.61 0.00 0.00 0.00 175.10 174.92 1kld n GLY 93 N 3.89 1.86 0.00 4.51 0.00 -1.26 -2.55 105.19 111.64 1kld n GLY 93 Ca 0.04 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.25 1kld n GLY 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kld n ARG 94 N 0.00 0.00 -3.63 1.61 5.12 -1.26 -5.06 116.66 113.44 1kld n ARG 94 Ca 0.00 0.00 -0.37 0.00 -1.93 0.00 0.00 57.85 55.55 1kld n ARG 94 Cb 0.00 -0.28 -0.10 0.00 -1.16 0.00 0.00 32.46 30.92 1kld n ARG 94 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 1kld s LYS 95 N 0.00 4.03 0.20 5.56 1.02 -1.06 -5.06 119.74 124.42 1kld s LYS 95 Ca 0.00 -0.28 -0.30 0.00 0.02 0.00 0.00 55.97 55.41 1kld s LYS 95 Cb 0.00 -3.58 -0.08 0.00 -0.52 0.00 0.00 37.83 33.65 1kld s LYS 95 CO 0.00 -0.03 1.02 -1.25 -0.92 0.00 0.00 175.35 174.17 1kld s PRO 96 N 1.31 4.70 -0.04 -1.68 0.04 -1.26 -1.70 135.00 136.38 1kld s PRO 96 Ca 0.07 1.60 -0.01 0.00 0.04 0.00 0.00 61.00 62.70 1kld s PRO 96 Cb -0.14 -3.29 0.03 0.00 0.04 0.00 0.00 34.50 31.14 1kld s PRO 96 CO 0.07 0.26 0.09 0.15 0.04 0.00 0.00 177.00 177.61 1kld s LYS 97 N -0.70 0.02 -0.03 4.56 1.02 -0.73 -4.97 119.74 118.91 1kld s LYS 97 Ca 0.46 0.29 -0.06 0.00 0.02 0.00 0.00 55.97 56.68 1kld s LYS 97 Cb -0.27 -0.23 -0.04 0.00 -0.52 0.00 0.00 37.83 36.76 1kld s LYS 97 CO 0.34 -0.18 0.21 0.08 -0.92 0.00 0.00 175.35 174.88 1kld s VAL 98 N 1.20 5.40 0.00 3.17 1.01 -1.26 -1.72 120.40 128.20 1kld s VAL 98 Ca -0.08 0.09 0.00 0.00 0.00 0.00 0.00 61.98 61.99 1kld s VAL 98 Cb -0.12 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.74 1kld s VAL 98 CO -0.04 0.43 0.00 1.21 0.00 0.00 0.00 175.10 176.70 1kld n GLU 99 N 1.33 0.00 -3.19 2.72 2.13 -1.17 -4.97 120.64 117.49 1kld n GLU 99 Ca -0.14 0.00 -0.17 0.00 0.66 0.00 0.00 57.16 57.51 1kld n GLU 99 Cb 0.53 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 32.18 1kld n GLU 99 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 1kld s GLN 100 N 1.18 0.89 0.41 5.31 -0.21 -1.25 -2.26 119.66 123.72 1kld s GLN 100 Ca 0.00 -1.45 -0.22 0.00 0.02 0.00 0.00 55.36 53.70 1kld s GLN 100 Cb 0.00 -0.80 -0.14 0.00 1.00 0.00 0.00 33.01 33.07 1kld s GLN 100 CO 0.00 -1.32 0.42 1.28 -2.12 0.00 0.00 175.29 173.55 1kld n LEU 101 N 3.25 -0.82 -4.86 2.90 4.77 0.15 -4.23 117.00 118.16 1kld n LEU 101 Ca 0.21 0.89 -0.35 0.00 -0.03 0.00 0.00 56.01 56.73 1kld n LEU 101 Cb 0.50 -1.05 -0.06 0.00 -2.33 0.00 0.00 43.42 40.48 1kld n LEU 101 CO 0.05 -3.24 -0.19 -0.55 -1.33 0.00 0.00 177.39 172.14 1kld s SER 102 N -0.97 6.20 -1.25 -1.43 0.15 -1.26 0.57 113.70 115.71 1kld s SER 102 Ca 0.62 0.36 -0.02 0.00 0.70 0.00 0.00 55.95 57.62 1kld s SER 102 Cb -0.62 -1.94 0.01 0.00 -1.71 0.00 0.00 66.02 61.75 1kld s SER 102 CO 0.59 0.34 0.14 0.59 1.20 0.00 0.00 173.24 176.10 1kld n ASN 103 N 1.57 -4.41 -1.54 5.45 3.02 -0.98 -4.79 115.26 113.58 1kld n ASN 103 Ca -0.16 0.02 -0.00 0.00 -0.03 0.00 0.00 54.58 54.41 1kld n ASN 103 Cb 0.54 -3.69 0.24 0.00 -0.61 0.00 0.00 39.78 36.25 1kld n ASN 103 CO 0.00 0.00 0.00 0.80 -2.62 0.00 0.00 177.26 175.44 1kld n MET 104 N -3.11 3.24 -3.85 3.52 1.56 0.23 -4.68 117.12 114.04 1kld n MET 104 Ca -0.14 -2.11 -0.09 0.00 -0.27 0.00 0.00 57.70 55.09 1kld n MET 104 Cb 0.61 -1.97 -0.04 0.00 2.15 0.00 0.00 33.22 33.97 1kld n MET 104 CO 0.00 0.00 0.00 0.42 -0.73 0.00 0.00 175.97 175.66 1kld s ILE 105 N -2.20 0.01 -0.04 1.12 1.01 -0.30 -4.80 121.20 116.01 1kld s ILE 105 Ca 0.37 -1.04 0.04 0.00 0.00 0.00 0.00 60.65 60.03 1kld s ILE 105 Cb 0.29 -1.86 -0.03 0.00 0.01 0.00 0.00 42.46 40.87 1kld s ILE 105 CO 0.10 -0.06 -0.15 -0.69 0.00 0.00 0.00 174.94 174.13 1kld s VAL 106 N -3.93 2.97 0.00 2.92 1.01 -0.99 -1.78 120.40 120.59 1kld s VAL 106 Ca 0.14 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.32 1kld s VAL 106 Cb -0.02 -2.16 0.00 0.00 0.00 0.00 0.00 36.38 34.20 1kld s VAL 106 CO 0.03 0.56 0.00 -1.14 0.00 0.00 0.00 175.10 174.55 1kld n ARG 107 N 2.23 2.43 -3.60 2.72 0.63 -0.97 -4.80 116.66 115.30 1kld n ARG 107 Ca -0.17 0.00 -0.10 0.00 -0.92 0.00 0.00 57.85 56.66 1kld n ARG 107 Cb 0.52 -0.77 -0.06 0.00 0.45 0.00 0.00 32.46 32.60 1kld n ARG 107 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1kld s SER 108 N -1.45 -0.42 0.54 6.15 1.04 -1.24 -4.27 113.70 114.05 1kld s SER 108 Ca 0.00 0.62 0.08 0.00 0.48 0.00 0.00 55.95 57.12 1kld s SER 108 Cb 0.00 0.56 0.05 0.00 0.10 0.00 0.00 66.02 66.73 1kld s SER 108 CO 0.00 -0.28 0.57 0.00 0.98 0.00 0.00 173.24 174.51 1kld n LYS 110 N -1.96 0.00 -3.62 0.00 2.85 0.93 -4.25 118.16 112.11 1kld n LYS 110 Ca 0.06 0.00 -0.29 0.00 -1.05 0.00 0.00 58.31 57.04 1kld n LYS 110 Cb 0.63 0.00 -0.12 0.00 -0.65 0.00 0.00 35.03 34.89 1kld n LYS 110 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35