#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 3.64 0.00 0.00 4.77 -1.26 -4.81 117.00 119.34 1kld n LEU 2 Ca 0.00 -4.82 -0.20 0.00 -0.03 0.00 0.00 56.01 50.96 1kld n LEU 2 Cb 0.00 -0.18 0.02 0.00 -2.33 0.00 0.00 43.42 40.93 1kld n LEU 2 CO 0.00 2.06 0.13 -0.90 -1.33 0.00 0.00 177.39 177.35 1kld n ASP 3 N -0.32 2.22 -0.13 -1.43 5.75 -1.26 -2.35 116.55 119.03 1kld n ASP 3 Ca 0.29 -2.45 0.01 0.00 -0.01 0.00 0.00 54.79 52.63 1kld n ASP 3 Cb 0.68 -0.13 0.02 0.00 -1.03 0.00 0.00 41.12 40.66 1kld n ASP 3 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1kld n THR 4 N -1.70 0.06 -0.14 2.12 -2.24 -1.26 -2.16 114.28 108.96 1kld n THR 4 Ca 0.03 -0.05 -0.27 0.00 -2.27 0.00 0.00 64.05 61.48 1kld n THR 4 Cb 0.50 -0.04 -0.10 0.00 -2.10 0.00 0.00 70.33 68.59 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 -0.34 1.96 0.13 3.42 5.15 -1.26 -4.11 115.26 120.22 1kld n ASN 5 Ca 0.01 0.24 0.12 0.00 -0.60 0.00 0.00 54.58 54.35 1kld n ASN 5 Cb 0.07 -0.74 0.07 0.00 -0.53 0.00 0.00 39.78 38.65 1kld n ASN 5 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 1kld h TYR 6 N -0.79 0.00 0.00 1.20 3.20 -1.90 -3.26 116.97 115.42 1kld h TYR 6 Ca -0.68 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.19 1kld h TYR 6 Cb 1.68 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.95 1kld h TYR 6 CO -0.06 0.00 -0.01 0.00 -1.64 0.00 0.00 178.16 176.45 1kld n PHE 8 N -1.78 0.52 -1.38 0.00 3.01 -1.23 -4.79 117.46 111.80 1kld n PHE 8 Ca 0.06 -1.42 0.00 0.00 1.01 0.00 0.00 57.45 57.11 1kld n PHE 8 Cb 0.37 -0.90 0.00 0.00 -0.01 0.00 0.00 39.48 38.94 1kld n PHE 8 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1kld n SER 9 N 1.35 0.00 0.00 4.37 2.88 -1.25 -5.07 113.62 115.90 1kld n SER 9 Ca 0.20 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.74 1kld n SER 9 Cb 0.60 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.06 1kld n SER 9 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1kld n SER 10 N 0.00 0.46 -4.16 -3.46 2.88 -1.26 -5.08 113.62 103.00 1kld n SER 10 Ca 0.00 -1.05 -0.17 0.00 -1.33 0.00 0.00 58.87 56.32 1kld n SER 10 Cb 0.00 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.48 1kld n SER 10 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1kld n THR 11 N -0.03 0.00 -2.12 2.46 -2.24 -1.26 -4.97 114.28 106.12 1kld n THR 11 Ca 0.00 -1.54 0.00 0.00 -2.27 0.00 0.00 64.05 60.24 1kld n THR 11 Cb 0.18 -0.38 0.00 0.00 -2.10 0.00 0.00 70.33 68.03 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 -1.70 -5.38 -0.38 -0.78 4.07 -1.26 -4.92 120.64 110.30 1kld n GLU 12 Ca 0.05 3.85 0.08 0.00 -0.06 0.00 0.00 57.16 61.07 1kld n GLU 12 Cb 0.46 -4.32 0.18 0.00 -0.06 0.00 0.00 31.44 27.69 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 1.85 1.46 0.00 5.31 4.81 -1.26 -4.95 118.16 125.37 1kld n LYS 13 Ca 0.00 -3.00 0.00 0.00 -0.87 0.00 0.00 58.31 54.44 1kld n LYS 13 Cb 0.00 -1.57 0.00 0.00 0.02 0.00 0.00 35.03 33.48 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 -1.25 0.30 -4.53 3.14 5.03 -1.26 -4.74 115.26 111.94 1kld n ASN 14 Ca 0.18 0.00 -0.16 0.00 0.87 0.00 0.00 54.58 55.46 1kld n ASN 14 Cb 0.67 0.00 -0.13 0.00 -1.02 0.00 0.00 39.78 39.30 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 5.01 0.00 -3.85 0.00 3.14 -1.26 -3.39 118.33 117.99 1kld n VAL 17 Ca -0.10 -0.16 -0.12 0.00 -2.96 0.00 0.00 64.34 61.00 1kld n VAL 17 Cb 0.50 -0.80 -0.10 0.00 -1.06 0.00 0.00 33.84 32.38 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 -4.07 0.52 0.27 1.45 0.52 -0.15 -4.70 118.95 112.78 1kld s ARG 18 Ca 0.62 -0.35 -0.31 0.00 -0.52 0.00 0.00 55.73 55.17 1kld s ARG 18 Cb -0.21 0.22 -0.12 0.00 0.52 0.00 0.00 34.95 35.35 1kld s ARG 18 CO 0.64 -0.13 1.57 0.00 0.02 0.00 0.00 175.30 177.40 1kld n GLN 19 N 1.44 2.55 -2.68 3.54 10.64 -1.26 -2.66 117.38 128.96 1kld n GLN 19 Ca -0.22 0.91 -0.08 0.00 -1.83 0.00 0.00 57.00 55.78 1kld n GLN 19 Cb 0.56 -2.67 0.07 0.00 -0.86 0.00 0.00 30.24 27.33 1kld n GLN 19 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.06 175.12 1kld n LEU 20 N 2.40 0.14 -4.57 2.61 7.94 -1.26 -4.85 117.00 119.40 1kld n LEU 20 Ca 0.10 -3.60 -0.47 0.00 -1.11 0.00 0.00 56.01 50.93 1kld n LEU 20 Cb 0.35 0.27 -0.03 0.00 0.53 0.00 0.00 43.42 44.54 1kld n LEU 20 CO 0.64 1.69 0.63 0.00 -1.11 0.00 0.00 177.39 179.23 1kld n TYR 21 N -0.28 1.20 -3.94 1.96 4.19 -1.26 -3.30 117.16 115.73 1kld n TYR 21 Ca 0.04 0.70 -0.29 0.00 3.31 0.00 0.00 57.90 61.67 1kld n TYR 21 Cb 0.83 -2.25 -0.16 0.00 0.49 0.00 0.00 39.34 38.25 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 -0.52 1.30 -0.77 2.97 1.01 -0.74 -4.87 121.20 119.58 1kld s ILE 22 Ca 0.68 -0.70 -0.24 0.00 0.00 0.00 0.00 60.65 60.39 1kld s ILE 22 Cb -0.81 -1.40 0.06 0.00 0.01 0.00 0.00 42.46 40.32 1kld s ILE 22 CO 0.55 0.20 1.18 -0.62 0.00 0.00 0.00 174.94 176.25 1kld s ASP 23 N 1.56 6.27 0.00 3.58 2.15 -1.26 -2.37 116.67 126.59 1kld s ASP 23 Ca 0.01 -0.96 0.00 0.00 0.43 0.00 0.00 52.55 52.03 1kld s ASP 23 Cb -0.15 -2.49 0.00 0.00 -0.30 0.00 0.00 42.92 39.98 1kld s ASP 23 CO -0.08 -1.57 0.00 0.49 -0.17 0.00 0.00 175.17 173.84 1kld n PHE 24 N 8.42 0.00 0.01 -5.34 3.72 -0.23 0.18 117.46 124.22 1kld n PHE 24 Ca 0.07 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.30 1kld n PHE 24 Cb 0.48 -0.30 -0.14 0.00 -0.94 0.00 0.00 39.48 38.58 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 0.20 -0.16 -1.08 2.43 -1.78 0.39 114.38 114.38 1kld h ARG 25 Ca 0.00 -0.34 -0.00 0.00 -0.81 0.00 0.00 59.98 58.83 1kld h ARG 25 Cb 0.00 0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 1kld h ARG 25 CO 0.00 1.02 0.09 -0.22 -1.51 0.00 0.00 179.97 179.34 1kld h LYS 26 N 0.05 0.21 0.00 0.20 3.11 0.16 0.38 116.57 120.69 1kld h LYS 26 Ca -0.36 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.46 1kld h LYS 26 Cb 2.03 -0.04 0.00 0.00 -1.00 0.00 0.00 32.23 33.22 1kld h LYS 26 CO 0.10 0.21 -0.46 -0.44 -2.81 0.00 0.00 179.45 176.05 1kld h ASP 27 N 0.16 0.00 0.81 4.20 3.32 -1.42 -3.40 116.42 120.10 1kld h ASP 27 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1kld h ASP 27 Cb 0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.60 1kld h ASP 27 CO -0.01 0.72 -0.58 0.18 -1.72 0.00 0.00 179.24 177.82 1kld n LEU 28 N -4.56 0.65 -0.78 1.55 4.77 -1.05 -4.90 117.00 112.68 1kld n LEU 28 Ca -0.06 0.20 -0.10 0.00 -0.03 0.00 0.00 56.01 56.02 1kld n LEU 28 Cb 0.24 -0.20 -0.04 0.00 -2.33 0.00 0.00 43.42 41.08 1kld n LEU 28 CO 0.10 -0.03 -0.10 0.61 -1.33 0.00 0.00 177.39 176.65 1kld n GLY 29 N 1.37 0.99 3.54 -0.72 0.00 0.12 -4.84 105.19 105.64 1kld n GLY 29 Ca 0.04 -0.03 -0.53 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.24 1.00 0.35 1.61 7.02 -0.09 -4.77 117.44 120.32 1kld n TRP 30 Ca -0.10 0.82 0.04 0.00 -1.02 0.00 0.00 57.50 57.24 1kld n TRP 30 Cb 0.57 -2.21 -0.05 0.00 -2.42 0.00 0.00 31.31 27.20 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 1.87 3.97 0.00 -0.99 5.02 -1.26 -4.45 118.16 122.32 1kld n LYS 31 Ca 0.18 -0.01 0.14 0.00 -2.02 0.00 0.00 58.31 56.61 1kld n LYS 31 Cb 0.17 -0.91 0.57 0.00 -0.02 0.00 0.00 35.03 34.84 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 -1.24 0.00 -5.03 2.13 4.27 -1.26 -4.79 117.44 111.52 1kld n TRP 32 Ca 0.01 0.00 -0.29 0.00 -3.89 0.00 0.00 57.50 53.33 1kld n TRP 32 Cb 0.13 -0.12 -0.17 0.00 -1.36 0.00 0.00 31.31 29.80 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 -2.34 1.74 -0.23 -1.67 1.01 -1.26 -4.20 121.20 114.24 1kld s ILE 33 Ca 0.31 -0.86 -0.16 0.00 0.00 0.00 0.00 60.65 59.94 1kld s ILE 33 Cb 0.20 -1.50 -0.12 0.00 0.01 0.00 0.00 42.46 41.05 1kld s ILE 33 CO 0.45 0.49 -0.20 1.57 0.00 0.00 0.00 174.94 177.25 1kld n HIS 34 N 3.32 0.33 -4.26 3.97 -0.00 -0.29 -4.97 115.22 113.33 1kld n HIS 34 Ca -0.19 0.14 -0.19 0.00 -0.00 0.00 0.00 57.72 57.48 1kld n HIS 34 Cb 0.52 -0.93 -0.11 0.00 -0.00 0.00 0.00 29.99 29.48 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 -2.52 1.07 0.96 1.57 2.02 -0.94 -4.31 118.70 116.56 1kld s GLU 35 Ca -0.33 -1.24 -0.15 0.00 0.02 0.00 0.00 54.97 53.26 1kld s GLU 35 Cb 0.10 -1.04 0.19 0.00 0.10 0.00 0.00 34.13 33.47 1kld s GLU 35 CO 0.48 0.21 1.26 -1.25 0.02 0.00 0.00 175.26 175.98 1kld s PRO 36 N -2.54 0.67 0.33 0.39 0.04 -1.26 -0.10 135.00 132.53 1kld s PRO 36 Ca 0.09 -0.23 0.03 0.00 0.04 0.00 0.00 61.00 60.92 1kld s PRO 36 Cb -0.06 -1.83 0.56 0.00 0.04 0.00 0.00 34.50 33.21 1kld s PRO 36 CO 0.04 -2.42 1.89 0.87 0.04 0.00 0.00 177.00 177.41 1kld h LYS 37 N -1.65 0.65 0.00 4.56 1.57 -1.98 -3.44 116.57 116.27 1kld h LYS 37 Ca -0.45 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.21 1kld h LYS 37 Cb 1.26 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.47 1kld h LYS 37 CO 0.44 0.60 0.00 0.41 -0.57 0.00 0.00 179.45 180.33 1kld n GLY 38 N -0.97 1.99 3.66 3.86 0.00 -1.26 -1.06 105.19 111.41 1kld n GLY 38 Ca 0.03 -0.88 -0.02 0.00 0.00 0.00 0.00 46.02 45.15 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 -5.83 -0.11 -1.20 1.61 1.13 -1.00 -4.87 117.35 107.08 1kld s TYR 39 Ca 0.00 -0.07 -0.18 0.00 -1.41 0.00 0.00 57.07 55.41 1kld s TYR 39 Cb 0.00 0.58 0.09 0.00 -1.10 0.00 0.00 41.96 41.53 1kld s TYR 39 CO 0.00 -0.51 1.58 -1.01 -2.51 0.00 0.00 175.55 173.10 1kld s HIS 40 N -2.83 2.91 0.14 -3.49 3.76 -1.26 -1.79 115.29 112.73 1kld s HIS 40 Ca 0.12 -1.58 -0.12 0.00 -0.15 0.00 0.00 55.06 53.33 1kld s HIS 40 Cb 0.01 -4.62 -0.00 0.00 1.11 0.00 0.00 32.58 29.08 1kld s HIS 40 CO -0.02 -1.73 1.56 0.00 -0.85 0.00 0.00 174.74 173.70 1kld h ALA 41 N 7.97 0.63 -2.80 -1.40 0.00 -1.88 -3.38 119.26 118.41 1kld h ALA 41 Ca 0.36 -0.33 0.33 0.00 0.00 0.00 0.00 54.91 55.27 1kld h ALA 41 Cb 0.91 -0.16 -0.09 0.00 0.00 0.00 0.00 17.79 18.44 1kld h ALA 41 CO 1.39 0.51 -0.52 0.09 0.00 0.00 0.00 179.25 180.71 1kld n ASN 42 N -4.27 -7.40 -0.70 0.00 3.02 -1.21 -2.28 115.26 102.42 1kld n ASN 42 Ca -0.00 0.58 0.00 0.00 -0.03 0.00 0.00 54.58 55.13 1kld n ASN 42 Cb 0.37 -3.82 0.00 0.00 -0.61 0.00 0.00 39.78 35.72 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 -3.85 -0.01 -3.98 3.10 -1.74 -1.09 -4.70 117.46 105.19 1kld n PHE 43 Ca -0.00 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.80 1kld n PHE 43 Cb 0.57 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.47 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 -2.12 1.53 0.00 0.00 1.43 -1.22 -4.93 118.68 113.38 1kld s LEU 45 Ca -0.05 -0.24 0.00 0.00 -1.03 0.00 0.00 54.13 52.81 1kld s LEU 45 Cb -0.02 0.72 0.00 0.00 0.03 0.00 0.00 46.19 46.92 1kld s LEU 45 CO -0.05 -0.40 0.00 0.61 0.23 0.00 0.00 176.35 176.74 1kld n GLY 46 N 1.31 -2.41 0.63 -3.19 0.00 -1.26 -3.39 105.19 96.87 1kld n GLY 46 Ca -0.22 -1.29 -0.05 0.00 0.00 0.00 0.00 46.02 44.46 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 -1.02 -0.37 -3.85 1.61 -0.04 -1.26 -3.63 135.00 126.43 1kld n PRO 47 Ca 0.00 -0.33 -0.11 0.00 -0.04 0.00 0.00 63.50 63.01 1kld n PRO 47 Cb 0.00 -0.23 -0.09 0.00 -0.04 0.00 0.00 33.50 33.13 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 1.30 3.38 0.00 0.00 -0.04 -1.26 -4.46 135.00 133.93 1kld n PRO 49 Ca -0.22 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.24 1kld n PRO 49 Cb 0.56 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.02 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 0.00 0.00 -0.48 0.54 4.11 -1.26 -4.49 117.16 115.57 1kld n TYR 50 Ca 0.00 0.00 0.39 0.00 -0.00 0.00 0.00 57.90 58.29 1kld n TYR 50 Cb 0.00 0.00 0.60 0.00 -0.00 0.00 0.00 39.34 39.94 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 -0.48 0.00 -1.54 -3.48 -5.35 -1.26 -4.07 119.36 103.19 1kld n ILE 51 Ca 0.00 1.20 -0.14 0.00 -0.27 0.00 0.00 62.75 63.54 1kld n ILE 51 Cb 0.00 -2.04 -0.10 0.00 -1.74 0.00 0.00 39.64 35.76 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 -3.42 0.93 -1.69 4.28 -0.00 -1.26 -4.30 117.44 111.98 1kld n TRP 52 Ca 0.33 -0.04 0.00 0.00 -0.00 0.00 0.00 57.50 57.79 1kld n TRP 52 Cb 1.59 -2.27 0.00 0.00 -0.00 0.00 0.00 31.31 30.63 1kld n TRP 52 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 177.69 176.56 1kld n SER 53 N 16.78 -3.84 -4.70 5.87 3.41 -1.26 -4.78 113.62 125.11 1kld n SER 53 Ca 0.47 0.42 -0.35 0.00 -0.26 0.00 0.00 58.87 59.15 1kld n SER 53 Cb 0.40 -0.81 -0.09 0.00 -0.26 0.00 0.00 64.21 63.46 1kld n SER 53 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1kld s LEU 54 N -0.15 4.05 -0.11 1.04 1.43 -1.26 -3.88 118.68 119.79 1kld s LEU 54 Ca 0.00 0.18 -0.10 0.00 -1.03 0.00 0.00 54.13 53.18 1kld s LEU 54 Cb 0.00 -2.03 -0.03 0.00 0.03 0.00 0.00 46.19 44.15 1kld s LEU 54 CO 0.00 0.19 -0.19 -0.67 0.23 0.00 0.00 176.35 175.91 1kld n ASP 55 N 3.45 1.33 -4.95 2.29 2.03 -1.25 -4.93 116.55 114.52 1kld n ASP 55 Ca -0.16 0.38 -0.23 0.00 0.52 0.00 0.00 54.79 55.29 1kld n ASP 55 Cb 0.52 -0.72 -0.01 0.00 -0.72 0.00 0.00 41.12 40.20 1kld n ASP 55 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1kld s THR 56 N -2.12 4.85 0.23 5.18 -4.23 -1.26 -4.99 115.64 113.30 1kld s THR 56 Ca -0.16 -0.51 -0.04 0.00 -1.18 0.00 0.00 61.69 59.79 1kld s THR 56 Cb 0.02 -3.77 0.10 0.00 1.34 0.00 0.00 72.50 70.19 1kld s THR 56 CO 0.23 -0.49 1.72 -0.61 -0.54 0.00 0.00 174.62 174.93 1kld h GLN 57 N 0.70 0.90 0.00 3.99 5.75 -1.95 -1.16 115.11 123.34 1kld h GLN 57 Ca -0.49 -0.26 0.00 0.00 -0.15 0.00 0.00 58.65 57.75 1kld h GLN 57 Cb 1.23 -0.10 0.00 0.00 1.07 0.00 0.00 27.48 29.68 1kld h GLN 57 CO 0.60 0.89 0.00 0.98 -2.65 0.00 0.00 178.83 178.65 1kld n TYR 58 N -4.20 0.00 -0.01 3.99 9.36 -1.26 -2.15 117.16 122.89 1kld n TYR 58 Ca 0.03 0.00 -0.18 0.00 3.32 0.00 0.00 57.90 61.07 1kld n TYR 58 Cb 0.32 -0.50 -0.08 0.00 -0.63 0.00 0.00 39.34 38.45 1kld n TYR 58 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 1kld h SER 59 N 0.00 0.91 1.23 2.98 0.87 -1.48 -1.76 113.55 116.29 1kld h SER 59 Ca 0.00 -0.66 -0.14 0.00 -1.23 0.00 0.00 61.79 59.76 1kld h SER 59 Cb 0.14 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 61.81 1kld h SER 59 CO 0.00 1.42 -0.67 0.07 -0.53 0.00 0.00 176.83 177.13 1kld h LYS 60 N 0.46 0.00 -0.06 2.24 2.10 -1.53 -0.43 116.57 119.35 1kld h LYS 60 Ca -0.07 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.51 1kld h LYS 60 Cb 1.45 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.78 1kld h LYS 60 CO 0.17 0.67 -0.22 0.28 -2.00 0.00 0.00 179.45 178.34 1kld h VAL 61 N 0.00 1.43 0.00 0.07 2.07 -1.51 -2.91 116.25 115.41 1kld h VAL 61 Ca -0.01 -1.62 -0.16 0.00 0.82 0.00 0.00 66.70 65.73 1kld h VAL 61 Cb 1.46 2.31 -0.02 0.00 -1.52 0.00 0.00 31.29 33.52 1kld h VAL 61 CO 0.09 0.46 -0.78 0.25 0.02 0.00 0.00 177.57 177.60 1kld h LEU 62 N -0.24 0.00 -0.32 2.57 5.85 -1.39 -1.45 115.31 120.33 1kld h LEU 62 Ca -0.01 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.73 1kld h LEU 62 Cb 0.86 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.86 1kld h LEU 62 CO 0.05 0.78 0.15 0.00 -0.34 0.00 0.00 178.44 179.07 1kld h ALA 63 N 1.22 0.38 -0.13 1.25 0.00 -1.08 -1.61 119.26 119.30 1kld h ALA 63 Ca -0.01 0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 1kld h ALA 63 Cb 1.45 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.22 1kld h ALA 63 CO 0.10 -0.24 -0.72 -0.07 0.00 0.00 0.00 179.25 178.33 1kld h LEU 64 N 0.31 0.85 -0.86 0.00 3.38 -1.52 -2.32 115.31 115.15 1kld h LEU 64 Ca 0.13 -0.64 0.20 0.00 0.09 0.00 0.00 57.88 57.66 1kld h LEU 64 Cb 0.06 -0.25 -0.16 0.00 0.09 0.00 0.00 40.66 40.40 1kld h LEU 64 CO -0.10 1.36 -0.08 0.22 0.09 0.00 0.00 178.44 179.93 1kld h TYR 65 N 0.40 -0.21 -0.01 1.13 3.20 -0.73 0.58 116.97 121.34 1kld h TYR 65 Ca -0.05 0.07 -0.02 0.00 3.14 0.00 0.00 58.73 61.86 1kld h TYR 65 Cb 1.35 0.23 0.00 0.00 1.54 0.00 0.00 36.73 39.86 1kld h TYR 65 CO 0.10 -0.34 -0.08 -0.97 -1.64 0.00 0.00 178.16 175.22 1kld h ASN 66 N 0.04 0.09 0.00 -2.11 -1.24 -1.30 -2.27 115.58 108.78 1kld h ASN 66 Ca 0.46 -0.72 0.00 0.00 0.71 0.00 0.00 56.30 56.76 1kld h ASN 66 Cb 0.82 -0.03 0.00 0.00 0.73 0.00 0.00 38.32 39.85 1kld h ASN 66 CO -0.82 0.79 0.06 0.00 -1.29 0.00 0.00 177.43 176.17 1kld n GLN 67 N -4.67 0.04 -0.12 6.67 1.13 -0.14 -1.48 117.38 118.81 1kld n GLN 67 Ca -0.09 0.50 -0.16 0.00 -1.94 0.00 0.00 57.00 55.31 1kld n GLN 67 Cb 0.40 -1.69 -0.13 0.00 0.11 0.00 0.00 30.24 28.93 1kld n GLN 67 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 1kld n HIS 68 N -1.69 0.00 -3.31 1.08 8.25 0.19 -4.88 115.22 114.86 1kld n HIS 68 Ca -0.00 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.06 1kld n HIS 68 Cb 0.07 -0.98 -0.08 0.00 1.12 0.00 0.00 29.99 30.11 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 -6.21 6.32 -0.27 0.41 -0.87 -0.55 -5.03 114.94 108.74 1kld s ASN 69 Ca -0.28 0.30 -0.29 0.00 -1.57 0.00 0.00 52.86 51.02 1kld s ASN 69 Cb 0.08 -2.24 0.01 0.00 -0.02 0.00 0.00 41.25 39.07 1kld s ASN 69 CO 0.65 -0.27 1.17 -2.16 -2.57 0.00 0.00 177.10 173.91 1kld s PRO 70 N 2.20 4.09 0.00 -0.60 0.04 -1.26 -3.10 135.00 136.37 1kld s PRO 70 Ca 0.18 1.28 0.00 0.00 0.04 0.00 0.00 61.00 62.50 1kld s PRO 70 Cb -0.16 -3.77 0.00 0.00 0.04 0.00 0.00 34.50 30.62 1kld s PRO 70 CO 0.10 -0.88 0.00 0.41 0.04 0.00 0.00 177.00 176.67 1kld n GLY 71 N 3.85 1.05 3.46 0.56 0.00 -1.26 -5.08 105.19 107.77 1kld n GLY 71 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.00 2.94 -0.29 4.61 0.00 -1.18 -4.98 121.76 120.87 1kld s ALA 72 Ca 0.00 -0.88 0.10 0.00 0.00 0.00 0.00 51.96 51.19 1kld s ALA 72 Cb 0.00 -1.55 0.57 0.00 0.00 0.00 0.00 23.12 22.14 1kld s ALA 72 CO 0.00 0.12 1.57 0.43 0.00 0.00 0.00 175.76 177.88 1kld n SER 73 N 3.73 3.39 -0.72 0.00 7.64 -1.26 -4.55 113.62 121.84 1kld n SER 73 Ca -0.17 -3.47 0.03 0.00 1.01 0.00 0.00 58.87 56.26 1kld n SER 73 Cb 0.52 -0.66 0.11 0.00 -1.01 0.00 0.00 64.21 63.18 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 -0.82 2.75 -0.51 -0.43 0.00 -1.26 -4.92 120.51 115.31 1kld n ALA 74 Ca 0.35 -0.50 -0.09 0.00 0.00 0.00 0.00 53.44 53.20 1kld n ALA 74 Cb 1.14 -1.02 0.14 0.00 0.00 0.00 0.00 19.45 19.72 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 0.17 -2.55 -1.00 0.00 0.00 -1.26 -4.87 120.51 111.00 1kld n ALA 75 Ca 0.08 -0.74 0.00 0.00 0.00 0.00 0.00 53.44 52.78 1kld n ALA 75 Cb 0.40 -0.07 0.00 0.00 0.00 0.00 0.00 19.45 19.79 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 -1.52 0.37 -3.56 0.00 -0.04 -1.26 -4.98 135.00 124.00 1kld n PRO 76 Ca 0.07 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.24 1kld n PRO 76 Cb 0.29 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.60 1kld n PRO 76 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1kld n VAL 79 N 1.74 0.00 -2.55 0.00 0.24 -1.19 -4.71 118.33 111.86 1kld n VAL 79 Ca 0.14 -1.58 -0.41 0.00 -2.04 0.00 0.00 64.34 60.44 1kld n VAL 79 Cb 0.27 0.88 -0.03 0.00 -1.47 0.00 0.00 33.84 33.49 1kld n VAL 79 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1kld s PRO 80 N -2.80 3.25 0.00 7.34 0.04 -1.26 0.18 135.00 141.75 1kld s PRO 80 Ca 0.26 -0.38 0.00 0.00 0.04 0.00 0.00 61.00 60.92 1kld s PRO 80 Cb 0.00 -4.38 0.00 0.00 0.04 0.00 0.00 34.50 30.16 1kld s PRO 80 CO 0.18 -2.17 0.79 0.94 0.04 0.00 0.00 177.00 176.79 1kld n GLN 81 N 9.30 0.00 -3.41 4.56 0.00 0.10 -4.51 117.38 123.43 1kld n GLN 81 Ca 0.08 0.43 -0.42 0.00 -0.00 0.00 0.00 57.00 57.09 1kld n GLN 81 Cb 0.49 -1.35 -0.09 0.00 0.00 0.00 0.00 30.24 29.28 1kld n GLN 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1kld s ALA 82 N -2.90 3.47 0.45 1.69 0.00 -1.19 -5.00 121.76 118.28 1kld s ALA 82 Ca 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 51.96 50.50 1kld s ALA 82 Cb 0.00 -2.89 0.00 0.00 0.00 0.00 0.00 23.12 20.23 1kld s ALA 82 CO 0.00 -1.32 0.00 1.28 0.00 0.00 0.00 175.76 175.72 1kld n LEU 83 N 5.36 0.00 -3.77 0.00 4.77 -1.26 -1.07 117.00 121.03 1kld n LEU 83 Ca -0.09 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.79 1kld n LEU 83 Cb 0.48 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.51 1kld n LEU 83 CO 0.42 -0.34 0.04 -1.61 -1.33 0.00 0.00 177.39 174.57 1kld s GLU 84 N -1.11 1.00 0.00 3.23 0.41 -0.39 -4.62 118.70 117.21 1kld s GLU 84 Ca 0.00 -0.87 0.00 0.00 -0.41 0.00 0.00 54.97 53.69 1kld s GLU 84 Cb 0.00 0.41 0.00 0.00 -1.78 0.00 0.00 34.13 32.76 1kld s GLU 84 CO 0.00 -0.36 0.00 -0.35 -0.49 0.00 0.00 175.26 174.06 1kld n PRO 85 N -0.16 0.07 -3.16 0.39 -0.04 -1.26 0.76 135.00 131.60 1kld n PRO 85 Ca -0.14 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.36 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 -1.05 -0.40 1.53 2.96 0.74 -4.27 118.68 118.19 1kld s LEU 86 Ca 0.00 0.68 -0.29 0.00 -0.22 0.00 0.00 54.13 54.30 1kld s LEU 86 Cb 0.00 1.89 0.01 0.00 0.50 0.00 0.00 46.19 48.59 1kld s LEU 86 CO 0.00 -0.20 1.34 -2.16 -1.32 0.00 0.00 176.35 174.02 1kld s PRO 87 N 2.89 3.66 0.00 0.98 0.04 -1.26 0.22 135.00 141.53 1kld s PRO 87 Ca 0.13 0.92 0.00 0.00 0.04 0.00 0.00 61.00 62.09 1kld s PRO 87 Cb -0.13 -3.98 0.00 0.00 0.04 0.00 0.00 34.50 30.43 1kld s PRO 87 CO -0.17 -1.45 0.00 0.44 0.04 0.00 0.00 177.00 175.86 1kld n ILE 88 N 6.87 0.00 -3.15 0.56 -5.35 -0.81 -4.15 119.36 113.33 1kld n ILE 88 Ca 0.15 0.00 0.04 0.00 -0.27 0.00 0.00 62.75 62.68 1kld n ILE 88 Cb 0.48 0.00 -0.01 0.00 -1.74 0.00 0.00 39.64 38.37 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 0.34 -0.80 0.16 7.28 1.01 0.86 -2.91 120.40 126.35 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 -0.99 -0.00 0.00 0.00 0.00 0.00 36.38 35.39 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 5.44 0.35 -4.53 5.22 4.11 -0.98 -1.13 117.16 125.65 1kld n TYR 90 Ca -0.03 -0.80 -0.24 0.00 -0.00 0.00 0.00 57.90 56.83 1kld n TYR 90 Cb 0.52 -0.10 -0.16 0.00 -0.00 0.00 0.00 39.34 39.59 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 -1.62 1.34 -0.68 -3.48 1.51 -1.26 -1.72 117.35 111.45 1kld s TYR 91 Ca 0.00 -0.47 -0.10 0.00 -1.01 0.00 0.00 57.07 55.49 1kld s TYR 91 Cb 0.00 -1.00 0.18 0.00 -0.11 0.00 0.00 41.96 41.03 1kld s TYR 91 CO 0.00 -0.25 0.57 0.08 -1.11 0.00 0.00 175.55 174.84 1kld s VAL 92 N 0.66 4.73 0.00 0.71 1.01 -0.63 -4.83 120.40 122.05 1kld s VAL 92 Ca -0.14 -2.43 0.00 0.00 0.00 0.00 0.00 61.98 59.42 1kld s VAL 92 Cb -0.15 -4.00 0.00 0.00 0.00 0.00 0.00 36.38 32.23 1kld s VAL 92 CO 0.03 -0.92 0.00 0.61 0.00 0.00 0.00 175.10 174.82 1kld n GLY 93 N 4.08 2.16 0.00 4.51 0.00 -1.26 -2.81 105.19 111.87 1kld n GLY 93 Ca 0.06 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -3.75 1.61 1.74 -1.26 -5.07 116.66 109.93 1kld n ARG 94 Ca 0.00 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.73 1kld n ARG 94 Cb 0.00 -0.29 -0.08 0.00 -1.02 0.00 0.00 32.46 31.06 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 4.15 0.17 5.56 1.02 -1.12 -5.07 119.74 124.45 1kld s LYS 95 Ca 0.00 -0.24 -0.30 0.00 0.02 0.00 0.00 55.97 55.45 1kld s LYS 95 Cb 0.00 -3.41 -0.07 0.00 -0.52 0.00 0.00 37.83 33.82 1kld s LYS 95 CO 0.00 0.26 1.02 -1.25 -0.92 0.00 0.00 175.35 174.46 1kld s PRO 96 N 0.46 4.69 -0.11 -1.68 0.04 -1.26 -1.61 135.00 135.53 1kld s PRO 96 Ca 0.07 1.58 -0.04 0.00 0.04 0.00 0.00 61.00 62.66 1kld s PRO 96 Cb -0.11 -3.31 0.05 0.00 0.04 0.00 0.00 34.50 31.17 1kld s PRO 96 CO -0.01 0.22 0.11 0.15 0.04 0.00 0.00 177.00 177.51 1kld s LYS 97 N -0.44 0.02 -0.09 4.56 1.02 -0.70 -4.97 119.74 119.15 1kld s LYS 97 Ca 0.47 0.24 -0.21 0.00 0.02 0.00 0.00 55.97 56.48 1kld s LYS 97 Cb -0.27 -1.00 -0.04 0.00 -0.52 0.00 0.00 37.83 36.01 1kld s LYS 97 CO 0.33 -0.48 0.61 0.08 -0.92 0.00 0.00 175.35 174.96 1kld s VAL 98 N 2.20 5.11 0.00 3.17 1.01 -1.26 -2.31 120.40 128.31 1kld s VAL 98 Ca 0.04 1.24 0.00 0.00 0.00 0.00 0.00 61.98 63.26 1kld s VAL 98 Cb -0.14 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.30 1kld s VAL 98 CO -0.07 0.28 0.00 1.21 0.00 0.00 0.00 175.10 176.53 1kld n GLU 99 N 3.73 1.99 -3.30 2.72 2.13 -1.15 -4.95 120.64 121.81 1kld n GLU 99 Ca -0.04 0.00 -0.22 0.00 0.66 0.00 0.00 57.16 57.57 1kld n GLU 99 Cb 0.51 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 32.14 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 0.51 0.80 0.42 5.31 1.11 -1.25 -1.92 119.66 124.64 1kld s GLN 100 Ca 0.00 -1.52 -0.22 0.00 0.01 0.00 0.00 55.36 53.63 1kld s GLN 100 Cb 0.00 -1.03 -0.13 0.00 -1.01 0.00 0.00 33.01 30.84 1kld s GLN 100 CO 0.00 -1.30 0.39 1.28 0.01 0.00 0.00 175.29 175.67 1kld n LEU 101 N 3.40 -0.95 -4.76 2.90 4.77 0.13 -4.29 117.00 118.21 1kld n LEU 101 Ca 0.21 0.87 -0.36 0.00 -0.03 0.00 0.00 56.01 56.70 1kld n LEU 101 Cb 0.47 -1.04 -0.08 0.00 -2.33 0.00 0.00 43.42 40.44 1kld n LEU 101 CO 0.08 -3.33 -0.19 -0.44 -1.33 0.00 0.00 177.39 172.17 1kld s SER 102 N -0.98 6.14 -1.70 -1.43 0.01 -1.26 -0.18 113.70 114.30 1kld s SER 102 Ca 0.62 0.28 -0.01 0.00 1.31 0.00 0.00 55.95 58.15 1kld s SER 102 Cb -0.61 -2.04 0.00 0.00 0.21 0.00 0.00 66.02 63.59 1kld s SER 102 CO 0.59 0.26 0.18 0.59 0.41 0.00 0.00 173.24 175.28 1kld n ASN 103 N 2.96 -5.92 -1.40 2.44 5.03 -0.83 -4.83 115.26 112.70 1kld n ASN 103 Ca -0.17 -0.09 0.05 0.00 0.87 0.00 0.00 54.58 55.23 1kld n ASN 103 Cb 0.53 -4.89 0.28 0.00 -1.02 0.00 0.00 39.78 34.68 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 -3.32 3.53 -3.90 3.52 1.56 0.23 -4.64 117.12 114.10 1kld n MET 104 Ca -0.20 -2.15 -0.09 0.00 -0.27 0.00 0.00 57.70 54.98 1kld n MET 104 Cb 0.67 -1.95 -0.06 0.00 2.15 0.00 0.00 33.22 34.02 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 -2.11 0.07 -0.07 1.12 1.01 -0.31 -4.82 121.20 116.09 1kld s ILE 105 Ca 0.37 -1.24 0.04 0.00 0.00 0.00 0.00 60.65 59.83 1kld s ILE 105 Cb 0.28 -1.73 -0.02 0.00 0.01 0.00 0.00 42.46 41.00 1kld s ILE 105 CO 0.13 -0.30 -0.20 -0.69 0.00 0.00 0.00 174.94 173.88 1kld s VAL 106 N -3.94 2.53 -0.02 2.92 1.01 -0.97 -1.27 120.40 120.68 1kld s VAL 106 Ca 0.14 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 61.26 1kld s VAL 106 Cb 0.03 -1.97 -0.05 0.00 0.00 0.00 0.00 36.38 34.39 1kld s VAL 106 CO -0.02 0.57 0.07 -1.14 0.00 0.00 0.00 175.10 174.58 1kld n ARG 107 N 2.91 0.61 -3.60 2.72 0.63 -0.24 -4.83 116.66 114.86 1kld n ARG 107 Ca -0.17 -0.03 -0.07 0.00 -0.92 0.00 0.00 57.85 56.66 1kld n ARG 107 Cb 0.52 -1.04 -0.04 0.00 0.45 0.00 0.00 32.46 32.35 1kld n ARG 107 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1kld s SER 108 N -2.27 -0.24 0.28 6.15 0.15 -1.20 -4.18 113.70 112.40 1kld s SER 108 Ca -0.01 0.24 0.05 0.00 0.70 0.00 0.00 55.95 56.92 1kld s SER 108 Cb 0.02 0.20 0.05 0.00 -1.71 0.00 0.00 66.02 64.57 1kld s SER 108 CO 0.13 -0.23 0.37 0.00 1.20 0.00 0.00 173.24 174.71 1kld n LYS 110 N -1.57 0.00 -3.31 0.00 2.85 0.13 -4.18 118.16 112.08 1kld n LYS 110 Ca 0.07 0.00 -0.11 0.00 -1.05 0.00 0.00 58.31 57.22 1kld n LYS 110 Cb 0.29 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 34.62 1kld n LYS 110 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35