#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 5.51 0.00 0.00 4.77 -1.26 -4.76 117.00 121.26 1kld n LEU 2 Ca 0.00 -5.17 -0.17 0.00 -0.03 0.00 0.00 56.01 50.64 1kld n LEU 2 Cb 0.00 -0.65 0.01 0.00 -2.33 0.00 0.00 43.42 40.45 1kld n LEU 2 CO 0.00 2.12 0.10 -0.90 -1.33 0.00 0.00 177.39 177.38 1kld n ASP 3 N -0.46 2.02 -0.32 -1.43 5.68 -1.26 -2.17 116.55 118.62 1kld n ASP 3 Ca 0.42 -2.24 0.01 0.00 -0.50 0.00 0.00 54.79 52.48 1kld n ASP 3 Cb 0.51 -0.09 0.03 0.00 -1.14 0.00 0.00 41.12 40.43 1kld n ASP 3 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1kld n THR 4 N -1.51 0.16 -0.13 2.12 -2.24 -1.26 -2.92 114.28 108.50 1kld n THR 4 Ca 0.02 -0.11 -0.22 0.00 -2.27 0.00 0.00 64.05 61.47 1kld n THR 4 Cb 0.43 -0.15 -0.11 0.00 -2.10 0.00 0.00 70.33 68.40 1kld n THR 4 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1kld n ASN 5 N -0.16 1.98 0.14 3.42 2.85 -1.26 -4.22 115.26 118.01 1kld n ASN 5 Ca 0.02 0.04 0.09 0.00 -0.11 0.00 0.00 54.58 54.62 1kld n ASN 5 Cb 0.16 -0.55 0.05 0.00 1.24 0.00 0.00 39.78 40.68 1kld n ASN 5 CO 0.00 0.00 0.00 0.22 -2.11 0.00 0.00 177.26 175.37 1kld h TYR 6 N -0.36 0.00 0.00 1.20 3.20 -1.86 -3.27 116.97 115.88 1kld h TYR 6 Ca -0.61 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.26 1kld h TYR 6 Cb 1.78 0.00 0.00 0.00 1.54 0.00 0.00 36.73 40.05 1kld h TYR 6 CO -0.01 0.13 0.00 0.00 -1.64 0.00 0.00 178.16 176.64 1kld n PHE 8 N -2.75 1.12 0.00 0.00 3.01 -1.23 -4.59 117.46 113.01 1kld n PHE 8 Ca 0.03 -1.73 0.00 0.00 1.01 0.00 0.00 57.45 56.76 1kld n PHE 8 Cb 0.38 -0.97 0.00 0.00 -0.01 0.00 0.00 39.48 38.88 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 0.81 0.00 0.00 4.37 7.64 -1.22 -5.08 113.62 120.14 1kld n SER 9 Ca 0.27 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.15 1kld n SER 9 Cb 0.58 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.78 1kld n SER 9 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1kld n SER 10 N 0.00 0.00 -0.91 6.43 7.64 -1.26 -5.14 113.62 120.38 1kld n SER 10 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1kld n SER 10 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1kld n SER 10 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1kld n THR 11 N -0.81 0.00 -0.74 0.44 -2.24 -1.26 -5.02 114.28 104.65 1kld n THR 11 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1kld n THR 11 Cb 0.00 -1.19 0.00 0.00 -2.10 0.00 0.00 70.33 67.04 1kld n THR 11 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1kld n GLU 12 N -0.23 -0.48 0.00 -0.78 4.07 -1.26 -5.01 120.64 116.95 1kld n GLU 12 Ca 0.00 0.80 0.00 0.00 -0.06 0.00 0.00 57.16 57.90 1kld n GLU 12 Cb 0.00 -0.48 0.00 0.00 -0.06 0.00 0.00 31.44 30.90 1kld n GLU 12 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 1kld n LYS 13 N 0.17 1.67 -0.00 5.31 4.81 -1.26 -4.96 118.16 123.89 1kld n LYS 13 Ca 0.00 -0.16 0.00 0.00 -0.87 0.00 0.00 58.31 57.28 1kld n LYS 13 Cb 0.00 -0.57 0.00 0.00 0.02 0.00 0.00 35.03 34.48 1kld n LYS 13 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1kld n ASN 14 N -0.28 0.00 -4.54 3.14 5.03 -1.26 -4.44 115.26 112.90 1kld n ASN 14 Ca 0.00 -0.03 -0.16 0.00 0.87 0.00 0.00 54.58 55.26 1kld n ASN 14 Cb 0.05 0.00 -0.12 0.00 -1.02 0.00 0.00 39.78 38.69 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 4.62 1.09 -3.58 0.00 3.14 -1.26 -3.49 118.33 118.86 1kld n VAL 17 Ca -0.15 -0.15 0.00 0.00 -2.96 0.00 0.00 64.34 61.07 1kld n VAL 17 Cb 0.50 -1.02 0.00 0.00 -1.06 0.00 0.00 33.84 32.26 1kld n VAL 17 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1kld n ARG 18 N -3.19 0.00 -3.44 1.45 5.12 -0.31 -4.71 116.66 111.58 1kld n ARG 18 Ca 0.12 0.00 -0.38 0.00 -1.93 0.00 0.00 57.85 55.66 1kld n ARG 18 Cb 0.51 0.00 -0.06 0.00 -1.16 0.00 0.00 32.46 31.75 1kld n ARG 18 CO 0.00 0.00 0.00 1.14 -1.93 0.00 0.00 177.63 176.84 1kld s GLN 19 N -0.74 4.03 -0.32 5.56 1.03 -1.26 -3.36 119.66 124.60 1kld s GLN 19 Ca 0.00 0.45 0.17 0.00 0.04 0.00 0.00 55.36 56.02 1kld s GLN 19 Cb 0.00 -3.26 0.45 0.00 0.03 0.00 0.00 33.01 30.23 1kld s GLN 19 CO 0.00 0.59 1.17 -0.11 -2.54 0.00 0.00 175.29 174.40 1kld n LEU 20 N 2.14 0.37 -4.62 2.60 7.94 -1.26 -4.79 117.00 119.37 1kld n LEU 20 Ca -0.12 -3.38 -0.49 0.00 -1.11 0.00 0.00 56.01 50.91 1kld n LEU 20 Cb 0.52 0.31 -0.05 0.00 0.53 0.00 0.00 43.42 44.74 1kld n LEU 20 CO 0.39 1.50 0.93 0.00 -1.11 0.00 0.00 177.39 179.10 1kld n TYR 21 N -0.56 1.72 -4.07 1.96 4.19 -1.26 -3.16 117.16 115.98 1kld n TYR 21 Ca 0.02 0.54 -0.32 0.00 3.31 0.00 0.00 57.90 61.45 1kld n TYR 21 Cb 0.83 -2.38 -0.16 0.00 0.49 0.00 0.00 39.34 38.12 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 0.32 1.89 -0.98 2.97 1.01 -0.49 -4.85 121.20 121.08 1kld s ILE 22 Ca 0.78 -0.99 -0.22 0.00 0.00 0.00 0.00 60.65 60.22 1kld s ILE 22 Cb -0.82 -1.82 0.08 0.00 0.01 0.00 0.00 42.46 39.91 1kld s ILE 22 CO 0.47 0.37 1.33 -0.62 0.00 0.00 0.00 174.94 176.49 1kld s ASP 23 N 1.32 6.53 0.00 3.58 2.15 -1.26 -2.60 116.67 126.39 1kld s ASP 23 Ca 0.02 -1.61 0.00 0.00 0.43 0.00 0.00 52.55 51.39 1kld s ASP 23 Cb -0.15 -2.51 0.00 0.00 -0.30 0.00 0.00 42.92 39.96 1kld s ASP 23 CO -0.10 -1.37 0.00 0.49 -0.17 0.00 0.00 175.17 174.01 1kld n PHE 24 N 8.13 0.00 0.06 -5.34 3.72 -0.58 0.23 117.46 123.68 1kld n PHE 24 Ca 0.29 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.47 1kld n PHE 24 Cb 0.50 -0.29 -0.15 0.00 -0.94 0.00 0.00 39.48 38.61 1kld n PHE 24 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 1kld h ARG 25 N 0.00 0.34 -0.11 -1.08 2.43 -1.75 1.69 114.38 115.91 1kld h ARG 25 Ca 0.00 -0.59 -0.00 0.00 -0.81 0.00 0.00 59.98 58.58 1kld h ARG 25 Cb 0.00 0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 29.76 1kld h ARG 25 CO 0.00 1.28 0.05 -0.22 -1.51 0.00 0.00 179.97 179.57 1kld h LYS 26 N -0.24 0.16 0.00 0.20 1.63 0.25 -1.35 116.57 117.21 1kld h LYS 26 Ca -0.20 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.58 1kld h LYS 26 Cb 1.78 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 33.39 1kld h LYS 26 CO 0.16 0.23 -0.29 -0.44 -3.45 0.00 0.00 179.45 175.66 1kld h ASP 27 N 0.04 0.00 0.67 4.20 3.32 -1.34 -3.41 116.42 119.91 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 0.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.68 1kld h ASP 27 CO -0.00 0.47 -0.45 0.18 -1.72 0.00 0.00 179.24 177.72 1kld n LEU 28 N -3.80 0.48 -0.29 1.55 4.77 -0.98 -4.90 117.00 113.83 1kld n LEU 28 Ca -0.04 0.14 -0.04 0.00 -0.03 0.00 0.00 56.01 56.04 1kld n LEU 28 Cb 0.15 -0.27 -0.02 0.00 -2.33 0.00 0.00 43.42 40.96 1kld n LEU 28 CO 0.06 0.06 -0.04 0.61 -1.33 0.00 0.00 177.39 176.75 1kld n GLY 29 N 1.46 0.41 3.67 -0.72 0.00 0.55 -4.84 105.19 105.71 1kld n GLY 29 Ca 0.05 -0.02 -0.59 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.17 1.66 0.70 1.61 7.02 0.66 -4.73 117.44 122.19 1kld n TRP 30 Ca -0.04 0.80 0.08 0.00 -1.02 0.00 0.00 57.50 57.32 1kld n TRP 30 Cb 0.49 -2.32 -0.10 0.00 -2.42 0.00 0.00 31.31 26.96 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 3.86 1.47 0.00 -0.99 5.02 -1.26 -4.26 118.16 122.00 1kld n LYS 31 Ca 0.25 -0.01 0.14 0.00 -2.02 0.00 0.00 58.31 56.67 1kld n LYS 31 Cb 0.08 -1.29 0.61 0.00 -0.02 0.00 0.00 35.03 34.41 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 -1.45 0.00 -4.85 2.13 4.27 -1.26 -4.75 117.44 111.52 1kld n TRP 32 Ca 0.03 0.00 -0.30 0.00 -3.89 0.00 0.00 57.50 53.34 1kld n TRP 32 Cb 0.27 -0.12 -0.17 0.00 -1.36 0.00 0.00 31.31 29.94 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 -2.33 1.73 -0.21 -1.67 1.01 -1.26 -4.09 121.20 114.38 1kld s ILE 33 Ca 0.32 -0.81 -0.16 0.00 0.00 0.00 0.00 60.65 60.00 1kld s ILE 33 Cb 0.20 -1.53 -0.11 0.00 0.01 0.00 0.00 42.46 41.03 1kld s ILE 33 CO 0.44 0.49 -0.14 1.57 0.00 0.00 0.00 174.94 177.30 1kld n HIS 34 N 3.79 0.53 -4.28 3.97 -0.00 -0.40 -4.91 115.22 113.91 1kld n HIS 34 Ca -0.20 0.23 -0.19 0.00 -0.00 0.00 0.00 57.72 57.56 1kld n HIS 34 Cb 0.52 -0.89 -0.11 0.00 -0.00 0.00 0.00 29.99 29.51 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 -2.48 1.14 0.91 1.57 2.02 -0.85 -4.28 118.70 116.74 1kld s GLU 35 Ca -0.29 -1.35 -0.14 0.00 0.02 0.00 0.00 54.97 53.21 1kld s GLU 35 Cb 0.07 -1.05 0.15 0.00 0.10 0.00 0.00 34.13 33.40 1kld s GLU 35 CO 0.45 0.20 1.21 -1.25 0.02 0.00 0.00 175.26 175.89 1kld s PRO 36 N -2.90 1.09 0.38 0.39 0.04 -1.26 0.10 135.00 132.84 1kld s PRO 36 Ca 0.13 -0.03 0.13 0.00 0.04 0.00 0.00 61.00 61.27 1kld s PRO 36 Cb -0.04 -1.86 0.95 0.00 0.04 0.00 0.00 34.50 33.59 1kld s PRO 36 CO 0.04 -2.17 1.83 0.87 0.04 0.00 0.00 177.00 177.62 1kld h LYS 37 N -1.47 0.53 0.00 4.56 1.57 -1.97 -3.44 116.57 116.35 1kld h LYS 37 Ca -0.46 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 1kld h LYS 37 Cb 1.30 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.49 1kld h LYS 37 CO 0.53 0.35 0.00 0.41 -0.57 0.00 0.00 179.45 180.18 1kld n GLY 38 N -1.45 2.88 0.00 3.86 0.00 -1.26 -1.53 105.19 107.69 1kld n GLY 38 Ca 0.20 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1kld n GLY 38 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1kld n TYR 39 N 0.00 0.00 -2.85 1.61 4.11 -1.07 -4.87 117.16 114.09 1kld n TYR 39 Ca 0.00 0.00 -0.44 0.00 -0.00 0.00 0.00 57.90 57.46 1kld n TYR 39 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.34 1kld n TYR 39 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.86 177.58 1kld n HIS 40 N -0.04 4.52 -0.04 -3.48 8.25 -1.26 -1.39 115.22 121.79 1kld n HIS 40 Ca 0.00 -3.26 0.06 0.00 -0.26 0.00 0.00 57.72 54.26 1kld n HIS 40 Cb 0.00 -2.10 0.43 0.00 1.12 0.00 0.00 29.99 29.45 1kld n HIS 40 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1kld h ALA 41 N 6.78 1.77 -2.75 -1.41 0.00 -1.84 -3.41 119.26 118.41 1kld h ALA 41 Ca 0.32 -0.02 0.27 0.00 0.00 0.00 0.00 54.91 55.48 1kld h ALA 41 Cb 0.82 -0.15 -0.11 0.00 0.00 0.00 0.00 17.79 18.35 1kld h ALA 41 CO 1.31 0.18 -0.66 0.09 0.00 0.00 0.00 179.25 180.17 1kld n ASN 42 N -4.47 -6.38 0.00 0.00 5.03 -1.23 -2.24 115.26 105.96 1kld n ASN 42 Ca 0.05 0.75 0.00 0.00 0.87 0.00 0.00 54.58 56.25 1kld n ASN 42 Cb 0.14 -3.85 0.00 0.00 -1.02 0.00 0.00 39.78 35.06 1kld n ASN 42 CO 0.00 0.00 0.00 2.22 -1.83 0.00 0.00 177.26 177.65 1kld n PHE 43 N -3.68 0.00 -3.91 3.10 -1.74 -1.21 -4.57 117.46 105.44 1kld n PHE 43 Ca -0.03 0.00 -0.10 0.00 -0.56 0.00 0.00 57.45 56.76 1kld n PHE 43 Cb 0.64 0.00 -0.11 0.00 1.52 0.00 0.00 39.48 41.53 1kld n PHE 43 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1kld s LEU 45 N -1.13 1.42 0.00 0.00 1.43 -1.23 -4.92 118.68 114.25 1kld s LEU 45 Ca -0.12 -0.36 0.00 0.00 -1.03 0.00 0.00 54.13 52.61 1kld s LEU 45 Cb -0.07 0.90 0.00 0.00 0.03 0.00 0.00 46.19 47.05 1kld s LEU 45 CO 0.00 -0.54 0.00 0.61 0.23 0.00 0.00 176.35 176.66 1kld n GLY 46 N 0.76 -0.63 0.00 -3.19 0.00 -1.26 -3.54 105.19 97.33 1kld n GLY 46 Ca -0.19 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.39 1kld n GLY 46 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1kld n PRO 47 N 0.15 0.06 -3.87 1.61 -0.04 -1.26 -3.46 135.00 128.19 1kld n PRO 47 Ca 0.00 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.35 1kld n PRO 47 Cb 0.00 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.36 1kld n PRO 47 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1kld n PRO 49 N 1.39 1.73 -1.04 0.00 -0.04 -1.26 -4.63 135.00 131.14 1kld n PRO 49 Ca -0.23 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.15 1kld n PRO 49 Cb 0.56 0.00 0.29 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 -0.23 2.50 -2.01 0.54 4.11 -1.26 -4.19 117.16 116.62 1kld n TYR 50 Ca 0.00 -1.31 -0.00 0.00 -0.00 0.00 0.00 57.90 56.59 1kld n TYR 50 Cb 0.00 -0.72 -0.00 0.00 -0.00 0.00 0.00 39.34 38.62 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 -0.34 0.00 -3.38 -3.48 -5.35 -1.26 -4.96 119.36 100.60 1kld n ILE 51 Ca 0.43 -0.01 -0.41 0.00 -0.27 0.00 0.00 62.75 62.50 1kld n ILE 51 Cb 1.42 0.32 -0.02 0.00 -1.74 0.00 0.00 39.64 39.62 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 0.01 4.24 -3.64 4.28 -0.00 -1.26 -4.83 117.44 116.23 1kld n TRP 52 Ca -0.00 -3.74 -0.26 0.00 -0.00 0.00 0.00 57.50 53.50 1kld n TRP 52 Cb 0.63 -1.36 0.01 0.00 -0.00 0.00 0.00 31.31 30.59 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 2.16 -5.31 -4.72 5.87 7.64 -1.26 -4.60 113.62 113.40 1kld n SER 53 Ca 0.24 -0.66 -0.40 0.00 1.01 0.00 0.00 58.87 59.07 1kld n SER 53 Cb 0.37 -2.03 -0.05 0.00 -1.01 0.00 0.00 64.21 61.50 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 -4.19 4.34 -0.22 -3.43 1.43 -1.26 -3.68 118.68 111.67 1kld s LEU 54 Ca 0.11 1.24 -0.14 0.00 -1.03 0.00 0.00 54.13 54.31 1kld s LEU 54 Cb -0.01 -3.12 -0.18 0.00 0.03 0.00 0.00 46.19 42.91 1kld s LEU 54 CO 0.88 -0.10 0.01 0.47 0.23 0.00 0.00 176.35 177.83 1kld n ASP 55 N 3.64 1.95 -4.97 2.29 8.00 -1.24 -4.99 116.55 121.23 1kld n ASP 55 Ca -0.01 0.29 -0.22 0.00 0.71 0.00 0.00 54.79 55.57 1kld n ASP 55 Cb 0.51 -0.84 0.02 0.00 -0.02 0.00 0.00 41.12 40.80 1kld n ASP 55 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1kld s THR 56 N -2.46 2.14 0.04 -3.53 -4.23 -1.26 -5.03 115.64 101.31 1kld s THR 56 Ca -0.32 -1.20 0.01 0.00 -1.18 0.00 0.00 61.69 59.01 1kld s THR 56 Cb 0.09 -2.34 -0.26 0.00 1.34 0.00 0.00 72.50 71.34 1kld s THR 56 CO 0.59 0.00 1.00 -0.61 -0.54 0.00 0.00 174.62 175.06 1kld h GLN 57 N 0.51 0.16 0.00 3.99 4.15 -1.96 -3.19 115.11 118.77 1kld h GLN 57 Ca -0.34 -0.28 0.00 0.00 0.77 0.00 0.00 58.65 58.80 1kld h GLN 57 Cb 1.29 0.10 0.00 0.00 0.21 0.00 0.00 27.48 29.08 1kld h GLN 57 CO 0.48 1.03 0.00 0.98 -1.93 0.00 0.00 178.83 179.40 1kld n TYR 58 N -3.39 0.15 0.22 3.99 9.36 -1.26 -1.58 117.16 124.65 1kld n TYR 58 Ca -0.11 0.06 0.12 0.00 3.32 0.00 0.00 57.90 61.29 1kld n TYR 58 Cb 1.01 -0.60 0.30 0.00 -0.63 0.00 0.00 39.34 39.42 1kld n TYR 58 CO 0.00 0.00 0.00 0.77 0.22 0.00 0.00 176.86 177.85 1kld h SER 59 N 0.00 0.00 0.07 2.98 0.02 -1.84 -2.63 113.55 112.14 1kld h SER 59 Ca 0.00 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 60.68 1kld h SER 59 Cb 0.19 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.71 1kld h SER 59 CO 0.00 0.09 -1.42 0.50 -1.14 0.00 0.00 176.83 174.86 1kld h LYS 60 N 0.00 0.14 0.68 3.45 3.64 -1.47 -3.02 116.57 119.99 1kld h LYS 60 Ca -0.00 -0.24 -0.03 0.00 -1.27 0.00 0.00 60.65 59.10 1kld h LYS 60 Cb 0.91 0.09 0.01 0.00 -0.41 0.00 0.00 32.23 32.83 1kld h LYS 60 CO 0.01 1.12 -0.33 0.28 -2.27 0.00 0.00 179.45 178.26 1kld h VAL 61 N -0.52 0.00 -0.89 2.00 2.07 -1.61 -2.82 116.25 114.47 1kld h VAL 61 Ca -0.33 -0.07 0.15 0.00 0.82 0.00 0.00 66.70 67.26 1kld h VAL 61 Cb 1.61 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 31.31 1kld h VAL 61 CO -0.04 0.00 0.57 0.25 0.02 0.00 0.00 177.57 178.37 1kld h LEU 62 N -0.98 0.63 -0.96 2.57 5.85 -1.68 0.66 115.31 121.41 1kld h LEU 62 Ca -0.09 0.04 0.23 0.00 0.84 0.00 0.00 57.88 58.90 1kld h LEU 62 Cb 0.70 -0.08 -0.12 0.00 0.37 0.00 0.00 40.66 41.52 1kld h LEU 62 CO 0.15 0.31 0.52 0.00 -0.34 0.00 0.00 178.44 179.08 1kld h ALA 63 N 1.60 1.64 0.15 1.25 0.00 -1.36 0.16 119.26 122.70 1kld h ALA 63 Ca 0.45 0.14 -0.30 0.00 0.00 0.00 0.00 54.91 55.19 1kld h ALA 63 Cb 0.76 0.06 0.03 0.00 0.00 0.00 0.00 17.79 18.64 1kld h ALA 63 CO -0.21 -0.28 -1.29 -0.07 0.00 0.00 0.00 179.25 177.40 1kld h LEU 64 N 0.52 0.87 -1.89 0.00 3.38 -0.75 -1.67 115.31 115.77 1kld h LEU 64 Ca 0.61 -0.85 0.37 0.00 0.09 0.00 0.00 57.88 58.09 1kld h LEU 64 Cb 1.14 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 41.55 1kld h LEU 64 CO -0.49 1.63 0.90 0.22 0.09 0.00 0.00 178.44 180.79 1kld h TYR 65 N 0.23 0.11 0.00 1.13 5.03 0.15 0.13 116.97 123.75 1kld h TYR 65 Ca -0.20 0.00 -0.39 0.00 2.58 0.00 0.00 58.73 60.72 1kld h TYR 65 Cb 1.97 -0.03 -0.06 0.00 1.55 0.00 0.00 36.73 40.16 1kld h TYR 65 CO 0.12 -0.00 -2.13 -1.71 -1.32 0.00 0.00 178.16 173.12 1kld n ASN 66 N -4.23 1.93 0.19 -2.11 5.15 -0.76 -3.88 115.26 111.55 1kld n ASN 66 Ca 0.28 0.34 0.08 0.00 -0.60 0.00 0.00 54.58 54.69 1kld n ASN 66 Cb 1.30 -0.85 0.45 0.00 -0.53 0.00 0.00 39.78 40.15 1kld n ASN 66 CO 0.00 0.00 0.00 1.56 1.40 0.00 0.00 177.26 180.22 1kld h GLN 67 N -0.94 0.00 0.12 1.20 7.50 -0.44 0.58 115.11 123.13 1kld h GLN 67 Ca -0.58 0.00 -0.35 0.00 0.50 0.00 0.00 58.65 58.21 1kld h GLN 67 Cb 1.54 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 29.05 1kld h GLN 67 CO -0.34 0.00 -1.92 0.45 -1.50 0.00 0.00 178.83 175.53 1kld h HIS 68 N 0.00 0.46 -3.80 2.96 3.86 -0.93 -3.45 115.15 114.25 1kld h HIS 68 Ca 0.00 -0.34 -0.64 0.00 -1.16 0.00 0.00 60.37 58.24 1kld h HIS 68 Cb 0.53 -0.02 -0.17 0.00 1.06 0.00 0.00 27.41 28.82 1kld h HIS 68 CO 0.00 1.76 -0.52 -0.80 0.86 0.00 0.00 177.93 179.22 1kld s ASN 69 N -7.05 5.98 -0.97 2.45 0.01 0.20 -5.02 114.94 110.55 1kld s ASN 69 Ca -0.23 0.01 -0.24 0.00 -0.71 0.00 0.00 52.86 51.70 1kld s ASN 69 Cb 0.06 -2.10 0.03 0.00 0.41 0.00 0.00 41.25 39.65 1kld s ASN 69 CO 0.76 -0.02 1.55 -2.16 -1.51 0.00 0.00 177.10 175.72 1kld s PRO 70 N 1.57 3.33 0.00 -0.60 0.04 -1.26 -3.14 135.00 134.93 1kld s PRO 70 Ca 0.07 -0.85 0.00 0.00 0.04 0.00 0.00 61.00 60.26 1kld s PRO 70 Cb -0.15 -5.19 0.00 0.00 0.04 0.00 0.00 34.50 29.19 1kld s PRO 70 CO 0.09 -2.45 0.00 0.41 0.04 0.00 0.00 177.00 175.09 1kld n GLY 71 N 6.75 1.95 3.66 0.56 0.00 -1.26 -5.11 105.19 111.74 1kld n GLY 71 Ca 0.32 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.97 3.55 -0.80 4.61 0.00 -1.19 -4.93 121.76 121.03 1kld s ALA 72 Ca 0.00 -0.46 0.04 0.00 0.00 0.00 0.00 51.96 51.54 1kld s ALA 72 Cb 0.00 -2.74 0.25 0.00 0.00 0.00 0.00 23.12 20.62 1kld s ALA 72 CO 0.00 -0.40 0.88 0.43 0.00 0.00 0.00 175.76 176.67 1kld n SER 73 N 4.69 2.40 -2.53 0.00 7.64 -1.26 -4.13 113.62 120.43 1kld n SER 73 Ca -0.06 -2.27 -0.28 0.00 1.01 0.00 0.00 58.87 57.26 1kld n SER 73 Cb 0.51 -0.55 0.00 0.00 -1.01 0.00 0.00 64.21 63.16 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 0.19 5.22 -2.25 -0.43 0.00 -1.26 -5.04 120.51 116.93 1kld n ALA 74 Ca 0.08 -4.31 -0.11 0.00 0.00 0.00 0.00 53.44 49.10 1kld n ALA 74 Cb 0.53 -0.70 0.06 0.00 0.00 0.00 0.00 19.45 19.35 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 -0.48 -0.04 -1.00 0.00 0.00 -1.26 -4.64 120.51 113.09 1kld n ALA 75 Ca 0.40 -0.90 0.00 0.00 0.00 0.00 0.00 53.44 52.94 1kld n ALA 75 Cb 0.61 0.12 0.00 0.00 0.00 0.00 0.00 19.45 20.18 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 -1.94 0.86 -3.43 0.00 -0.04 -1.26 -5.03 135.00 124.16 1kld n PRO 76 Ca 0.08 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.32 1kld n PRO 76 Cb 0.28 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.63 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 -1.18 0.09 -0.88 0.00 -7.23 -0.43 -4.82 120.40 105.94 1kld s VAL 79 Ca 0.60 -1.63 -0.25 0.00 -1.81 0.00 0.00 61.98 58.89 1kld s VAL 79 Cb -0.49 -1.92 0.02 0.00 0.56 0.00 0.00 36.38 34.56 1kld s VAL 79 CO 0.59 -0.39 1.50 -2.16 -0.31 0.00 0.00 175.10 174.32 1kld s PRO 80 N -4.00 3.24 0.00 4.82 0.04 -1.26 0.13 135.00 137.97 1kld s PRO 80 Ca 0.20 -0.58 -0.07 0.00 0.04 0.00 0.00 61.00 60.59 1kld s PRO 80 Cb 0.05 -4.86 -0.04 0.00 0.04 0.00 0.00 34.50 29.69 1kld s PRO 80 CO 0.00 -2.39 0.74 0.37 0.04 0.00 0.00 177.00 175.77 1kld h GLN 81 N 10.53 -0.25 -6.81 4.56 5.75 -0.09 -3.44 115.11 125.36 1kld h GLN 81 Ca -0.01 0.02 -0.50 0.00 -0.15 0.00 0.00 58.65 58.01 1kld h GLN 81 Cb 1.04 0.06 0.01 0.00 1.07 0.00 0.00 27.48 29.65 1kld h GLN 81 CO 1.33 -0.16 0.08 0.00 -2.65 0.00 0.00 178.83 177.43 1kld s ALA 82 N -3.51 3.39 0.00 3.38 0.00 -0.69 -4.96 121.76 119.37 1kld s ALA 82 Ca -0.04 -0.28 0.00 0.00 0.00 0.00 0.00 51.96 51.64 1kld s ALA 82 Cb 0.00 -2.64 0.00 0.00 0.00 0.00 0.00 23.12 20.49 1kld s ALA 82 CO 0.11 -0.01 0.00 1.28 0.00 0.00 0.00 175.76 177.14 1kld n LEU 83 N -1.34 0.00 -3.67 0.00 4.77 -1.26 -1.79 117.00 113.70 1kld n LEU 83 Ca 0.02 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.89 1kld n LEU 83 Cb 0.54 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.58 1kld n LEU 83 CO 0.48 0.00 0.11 -1.61 -1.33 0.00 0.00 177.39 175.05 1kld s GLU 84 N -1.17 1.01 0.00 3.23 0.41 -0.75 -4.52 118.70 116.90 1kld s GLU 84 Ca 0.00 -0.71 0.00 0.00 -0.41 0.00 0.00 54.97 53.85 1kld s GLU 84 Cb 0.00 0.44 0.00 0.00 -1.78 0.00 0.00 34.13 32.79 1kld s GLU 84 CO 0.00 -0.38 0.00 -0.35 -0.49 0.00 0.00 175.26 174.04 1kld n PRO 85 N -0.11 0.72 -3.15 0.39 -0.04 -1.26 0.07 135.00 131.63 1kld n PRO 85 Ca -0.16 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.34 1kld n PRO 85 Cb 0.63 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 34.08 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 -1.01 -0.34 1.53 2.96 0.20 -4.34 118.68 117.68 1kld s LEU 86 Ca 0.00 0.65 -0.29 0.00 -0.22 0.00 0.00 54.13 54.27 1kld s LEU 86 Cb 0.00 1.85 0.00 0.00 0.50 0.00 0.00 46.19 48.55 1kld s LEU 86 CO 0.00 -0.19 1.32 -2.16 -1.32 0.00 0.00 176.35 174.00 1kld s PRO 87 N 2.90 3.81 0.00 0.98 0.04 -1.26 0.34 135.00 141.81 1kld s PRO 87 Ca 0.12 1.13 0.00 0.00 0.04 0.00 0.00 61.00 62.29 1kld s PRO 87 Cb -0.13 -3.92 0.00 0.00 0.04 0.00 0.00 34.50 30.49 1kld s PRO 87 CO -0.17 -1.25 0.00 0.44 0.04 0.00 0.00 177.00 176.06 1kld n ILE 88 N 6.47 0.00 -3.21 0.56 -5.35 -0.98 -4.36 119.36 112.48 1kld n ILE 88 Ca 0.15 0.00 0.04 0.00 -0.27 0.00 0.00 62.75 62.67 1kld n ILE 88 Cb 0.47 0.00 -0.02 0.00 -1.74 0.00 0.00 39.64 38.35 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 0.13 -0.81 0.09 7.28 1.01 0.12 -3.03 120.40 125.17 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 0.01 0.00 0.00 0.00 0.00 175.10 175.11 1kld n TYR 90 N 5.42 0.03 -4.35 5.22 4.11 -0.13 -1.27 117.16 126.19 1kld n TYR 90 Ca -0.04 -0.42 -0.21 0.00 -0.00 0.00 0.00 57.90 57.23 1kld n TYR 90 Cb 0.52 -0.06 -0.16 0.00 -0.00 0.00 0.00 39.34 39.64 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 -1.21 1.00 -0.68 -3.48 1.51 -1.26 -1.52 117.35 111.71 1kld s TYR 91 Ca 0.01 -0.31 -0.09 0.00 -1.01 0.00 0.00 57.07 55.67 1kld s TYR 91 Cb -0.00 -0.78 0.18 0.00 -0.11 0.00 0.00 41.96 41.25 1kld s TYR 91 CO 0.00 -0.19 0.56 0.08 -1.11 0.00 0.00 175.55 174.89 1kld s VAL 92 N 0.66 4.64 0.00 0.71 1.01 -0.65 -4.82 120.40 121.94 1kld s VAL 92 Ca -0.11 -2.50 0.00 0.00 0.00 0.00 0.00 61.98 59.37 1kld s VAL 92 Cb -0.13 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.29 1kld s VAL 92 CO 0.01 -0.92 0.00 0.61 0.00 0.00 0.00 175.10 174.80 1kld n GLY 93 N 4.00 2.22 0.00 4.51 0.00 -1.26 -2.90 105.19 111.75 1kld n GLY 93 Ca 0.07 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -3.64 1.61 1.74 -1.26 -5.08 116.66 110.03 1kld n ARG 94 Ca 0.00 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.72 1kld n ARG 94 Cb 0.00 -0.23 -0.08 0.00 -1.02 0.00 0.00 32.46 31.13 1kld n ARG 94 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1kld s LYS 95 N 0.00 4.22 0.31 5.56 -0.14 -1.14 -5.07 119.74 123.49 1kld s LYS 95 Ca 0.00 -0.08 -0.27 0.00 -1.36 0.00 0.00 55.97 54.26 1kld s LYS 95 Cb 0.00 -3.42 -0.09 0.00 -1.68 0.00 0.00 37.83 32.63 1kld s LYS 95 CO 0.00 0.27 1.00 -1.25 -0.76 0.00 0.00 175.35 174.61 1kld s PRO 96 N 0.42 4.56 -0.04 -1.68 0.04 -1.26 -1.64 135.00 135.40 1kld s PRO 96 Ca 0.12 1.49 -0.05 0.00 0.04 0.00 0.00 61.00 62.60 1kld s PRO 96 Cb -0.12 -2.92 0.01 0.00 0.04 0.00 0.00 34.50 31.51 1kld s PRO 96 CO 0.01 0.22 0.14 0.15 0.04 0.00 0.00 177.00 177.56 1kld s LYS 97 N -1.85 0.26 -0.09 4.56 1.02 -0.57 -4.95 119.74 118.11 1kld s LYS 97 Ca 0.49 0.01 0.03 0.00 0.02 0.00 0.00 55.97 56.51 1kld s LYS 97 Cb -0.23 0.11 -0.01 0.00 -0.52 0.00 0.00 37.83 37.18 1kld s LYS 97 CO 0.30 -0.05 -0.17 0.08 -0.92 0.00 0.00 175.35 174.59 1kld s VAL 98 N -0.37 2.73 0.00 3.17 1.01 -1.26 -0.95 120.40 124.72 1kld s VAL 98 Ca -0.05 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.13 1kld s VAL 98 Cb -0.03 -2.09 0.00 0.00 0.00 0.00 0.00 36.38 34.26 1kld s VAL 98 CO 0.01 0.55 0.00 1.21 0.00 0.00 0.00 175.10 176.87 1kld n GLU 99 N 3.12 1.19 -3.14 2.72 2.13 -1.17 -4.96 120.64 120.52 1kld n GLU 99 Ca -0.18 0.00 -0.15 0.00 0.66 0.00 0.00 57.16 57.49 1kld n GLU 99 Cb 0.52 0.00 -0.05 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 1.20 0.91 0.43 5.31 -0.21 -1.25 -2.33 119.66 123.72 1kld s GLN 100 Ca 0.00 -1.41 -0.22 0.00 0.02 0.00 0.00 55.36 53.75 1kld s GLN 100 Cb 0.00 -0.71 -0.13 0.00 1.00 0.00 0.00 33.01 33.16 1kld s GLN 100 CO 0.00 -1.32 0.37 1.28 -2.12 0.00 0.00 175.29 173.50 1kld n LEU 101 N 3.21 -1.02 -4.84 2.90 4.77 0.15 -4.21 117.00 117.96 1kld n LEU 101 Ca 0.21 0.86 -0.35 0.00 -0.03 0.00 0.00 56.01 56.70 1kld n LEU 101 Cb 0.51 -1.03 -0.06 0.00 -2.33 0.00 0.00 43.42 40.50 1kld n LEU 101 CO 0.04 -3.39 -0.20 -0.44 -1.33 0.00 0.00 177.39 172.07 1kld s SER 102 N -0.98 6.10 -1.25 -1.43 0.01 -1.26 0.59 113.70 115.48 1kld s SER 102 Ca 0.62 0.34 -0.07 0.00 1.31 0.00 0.00 55.95 58.15 1kld s SER 102 Cb -0.60 -1.90 0.05 0.00 0.21 0.00 0.00 66.02 63.78 1kld s SER 102 CO 0.60 0.35 0.41 0.59 0.41 0.00 0.00 173.24 175.59 1kld n ASN 103 N 1.65 -3.91 -1.00 2.44 5.03 -0.94 -4.79 115.26 113.74 1kld n ASN 103 Ca -0.17 -0.27 0.09 0.00 0.87 0.00 0.00 54.58 55.10 1kld n ASN 103 Cb 0.54 -3.24 0.24 0.00 -1.02 0.00 0.00 39.78 36.29 1kld n ASN 103 CO 0.00 0.00 0.00 0.80 -1.83 0.00 0.00 177.26 176.23 1kld n MET 104 N -3.58 2.25 -4.15 3.52 1.56 0.11 -4.70 117.12 112.13 1kld n MET 104 Ca -0.05 -1.94 -0.11 0.00 -0.27 0.00 0.00 57.70 55.34 1kld n MET 104 Cb 0.56 -1.42 -0.10 0.00 2.15 0.00 0.00 33.22 34.41 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 -1.28 0.06 -0.09 1.12 1.01 -0.46 -4.76 121.20 116.80 1kld s ILE 105 Ca 0.36 -1.88 -0.01 0.00 0.00 0.00 0.00 60.65 59.12 1kld s ILE 105 Cb 0.19 -2.21 -0.03 0.00 0.01 0.00 0.00 42.46 40.42 1kld s ILE 105 CO 0.25 -0.25 -0.05 -0.69 0.00 0.00 0.00 174.94 174.20 1kld s VAL 106 N -4.08 3.89 0.00 2.92 1.01 -0.95 -1.81 120.40 121.37 1kld s VAL 106 Ca 0.29 -0.40 0.00 0.00 0.00 0.00 0.00 61.98 61.87 1kld s VAL 106 Cb 0.07 -2.62 0.00 0.00 0.00 0.00 0.00 36.38 33.83 1kld s VAL 106 CO 0.06 0.59 0.23 -1.14 0.00 0.00 0.00 175.10 174.83 1kld n ARG 107 N 2.39 0.40 0.00 2.72 0.63 -0.74 -4.80 116.66 117.27 1kld n ARG 107 Ca -0.18 -0.23 0.00 0.00 -0.92 0.00 0.00 57.85 56.52 1kld n ARG 107 Cb 0.53 -0.68 0.00 0.00 0.45 0.00 0.00 32.46 32.76 1kld n ARG 107 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1kld n SER 108 N -0.12 0.00 -1.92 6.15 7.64 -1.20 -4.12 113.62 120.05 1kld n SER 108 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1kld n SER 108 Cb 0.08 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 1kld n SER 108 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1kld n LYS 110 N -0.93 0.00 -3.45 0.00 4.81 0.35 -4.23 118.16 114.71 1kld n LYS 110 Ca 0.00 0.00 -0.29 0.00 -0.87 0.00 0.00 58.31 57.15 1kld n LYS 110 Cb 0.00 0.00 -0.12 0.00 0.02 0.00 0.00 35.03 34.93 1kld n LYS 110 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57