#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 4.30 0.00 0.00 4.77 -1.26 -4.83 117.00 119.98 1kld n LEU 2 Ca 0.00 -5.43 -0.22 0.00 -0.03 0.00 0.00 56.01 50.33 1kld n LEU 2 Cb 0.00 -0.43 0.02 0.00 -2.33 0.00 0.00 43.42 40.68 1kld n LEU 2 CO 0.00 2.29 0.15 -0.90 -1.33 0.00 0.00 177.39 177.60 1kld n ASP 3 N -0.30 2.41 0.00 -1.43 5.68 -1.26 -2.71 116.55 118.93 1kld n ASP 3 Ca 0.33 -2.64 0.08 0.00 -0.50 0.00 0.00 54.79 52.05 1kld n ASP 3 Cb 0.51 -0.15 0.46 0.00 -1.14 0.00 0.00 41.12 40.80 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 -1.85 0.00 -0.09 2.12 -2.24 -1.26 -1.90 114.28 109.06 1kld n THR 4 Ca 0.04 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.58 1kld n THR 4 Cb 0.57 -0.29 -0.12 0.00 -2.10 0.00 0.00 70.33 68.39 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 -0.76 1.95 0.01 3.42 2.85 -1.26 -3.65 115.26 117.82 1kld n ASN 5 Ca 0.12 0.30 0.12 0.00 -0.11 0.00 0.00 54.58 55.01 1kld n ASN 5 Cb 0.05 -0.86 0.25 0.00 1.24 0.00 0.00 39.78 40.46 1kld n ASN 5 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1kld n TYR 6 N -4.08 0.06 0.91 1.20 9.36 -1.22 -3.66 117.16 119.74 1kld n TYR 6 Ca -0.39 0.02 0.12 0.00 3.32 0.00 0.00 57.90 60.97 1kld n TYR 6 Cb 0.84 -0.31 0.15 0.00 -0.63 0.00 0.00 39.34 39.39 1kld n TYR 6 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1kld n PHE 8 N -1.60 0.95 -2.34 0.00 3.01 -1.24 -4.67 117.46 111.57 1kld n PHE 8 Ca 0.05 -1.64 0.00 0.00 1.01 0.00 0.00 57.45 56.87 1kld n PHE 8 Cb 0.35 -0.93 0.00 0.00 -0.01 0.00 0.00 39.48 38.89 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 0.95 0.83 0.00 4.37 7.64 -1.26 -5.06 113.62 121.10 1kld n SER 9 Ca 0.25 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.13 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 0.51 -1.76 6.43 7.64 -1.26 -5.05 113.62 120.13 1kld n SER 10 Ca 0.00 -0.76 0.00 0.00 1.01 0.00 0.00 58.87 59.12 1kld n SER 10 Cb 0.00 0.39 0.00 0.00 -1.01 0.00 0.00 64.21 63.59 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 -0.39 0.00 -2.00 0.44 -2.24 -1.26 -5.02 114.28 103.81 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 0.01 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 67.97 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 -0.24 -5.30 -2.26 -0.78 4.71 -1.26 -4.92 120.64 110.59 1kld n GLU 12 Ca 0.00 3.79 -0.20 0.00 -0.01 0.00 0.00 57.16 60.73 1kld n GLU 12 Cb 0.00 -4.07 0.02 0.00 -1.01 0.00 0.00 31.44 26.38 1kld n GLU 12 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 1kld n LYS 13 N 1.81 3.19 -2.33 3.49 4.81 -1.26 -5.02 118.16 122.85 1kld n LYS 13 Ca 0.00 -4.09 -0.07 0.00 -0.87 0.00 0.00 58.31 53.28 1kld n LYS 13 Cb 0.00 -2.13 -0.01 0.00 0.02 0.00 0.00 35.03 32.91 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 -0.62 1.89 -4.52 3.14 4.13 -1.26 -4.02 115.26 114.00 1kld n ASN 14 Ca 0.36 -1.46 -0.25 0.00 1.68 0.00 0.00 54.58 54.91 1kld n ASN 14 Cb 0.88 0.04 -0.15 0.00 -1.54 0.00 0.00 39.78 39.01 1kld n ASN 14 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1kld s VAL 17 N 1.26 3.65 0.22 0.00 0.11 -1.26 -3.21 120.40 121.18 1kld s VAL 17 Ca -0.07 0.77 0.05 0.00 -2.93 0.00 0.00 61.98 59.80 1kld s VAL 17 Cb -0.13 -3.57 -0.03 0.00 -1.53 0.00 0.00 36.38 31.12 1kld s VAL 17 CO -0.03 -0.15 0.34 -0.13 -3.33 0.00 0.00 175.10 171.80 1kld s ARG 18 N 4.30 3.43 0.63 1.54 0.52 0.28 -4.38 118.95 125.27 1kld s ARG 18 Ca 0.72 -0.73 -0.19 0.00 -0.52 0.00 0.00 55.73 55.01 1kld s ARG 18 Cb -0.29 -2.90 -0.02 0.00 0.52 0.00 0.00 34.95 32.26 1kld s ARG 18 CO 0.29 0.45 1.26 0.00 0.02 0.00 0.00 175.30 177.31 1kld n GLN 19 N -1.23 1.17 -2.69 3.54 10.64 -1.26 -2.49 117.38 125.05 1kld n GLN 19 Ca -0.09 0.45 -0.04 0.00 -1.83 0.00 0.00 57.00 55.50 1kld n GLN 19 Cb 0.56 -2.49 0.12 0.00 -0.86 0.00 0.00 30.24 27.57 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 -1.62 -1.30 -4.56 2.61 7.94 -1.26 -4.72 117.00 114.09 1kld n LEU 20 Ca 0.15 -3.32 -0.50 0.00 -1.11 0.00 0.00 56.01 51.22 1kld n LEU 20 Cb 0.47 0.11 -0.05 0.00 0.53 0.00 0.00 43.42 44.48 1kld n LEU 20 CO 0.48 1.73 0.69 0.00 -1.11 0.00 0.00 177.39 179.19 1kld n TYR 21 N -1.06 1.16 -4.05 1.96 4.19 -1.26 -3.33 117.16 114.77 1kld n TYR 21 Ca -0.09 0.73 -0.31 0.00 3.31 0.00 0.00 57.90 61.53 1kld n TYR 21 Cb 0.86 -2.25 -0.16 0.00 0.49 0.00 0.00 39.34 38.28 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 -0.10 1.82 -0.89 2.97 1.01 -0.61 -4.86 121.20 120.53 1kld s ILE 22 Ca 0.77 -0.97 -0.23 0.00 0.00 0.00 0.00 60.65 60.22 1kld s ILE 22 Cb -0.92 -1.77 0.07 0.00 0.01 0.00 0.00 42.46 39.85 1kld s ILE 22 CO 0.52 0.33 1.26 -0.62 0.00 0.00 0.00 174.94 176.43 1kld s ASP 23 N 1.35 6.42 0.00 3.58 -1.08 -1.26 -2.58 116.67 123.10 1kld s ASP 23 Ca 0.01 -1.35 0.00 0.00 -0.52 0.00 0.00 52.55 50.69 1kld s ASP 23 Cb -0.15 -2.50 0.00 0.00 -1.46 0.00 0.00 42.92 38.81 1kld s ASP 23 CO -0.10 -1.45 0.00 0.49 0.52 0.00 0.00 175.17 174.64 1kld n PHE 24 N 8.20 0.00 0.07 -5.34 3.72 -0.89 0.20 117.46 123.42 1kld n PHE 24 Ca 0.20 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.37 1kld n PHE 24 Cb 0.49 -0.31 -0.15 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 0.38 -0.12 -1.08 9.65 -1.78 1.43 114.38 122.86 1kld h ARG 25 Ca 0.00 -0.65 -0.01 0.00 -1.10 0.00 0.00 59.98 58.23 1kld h ARG 25 Cb 0.00 0.24 -0.00 0.00 -1.39 0.00 0.00 29.97 28.82 1kld h ARG 25 CO 0.00 1.31 0.04 -0.22 2.80 0.00 0.00 179.97 183.90 1kld h LYS 26 N -0.09 0.18 0.00 0.20 3.64 0.19 -1.47 116.57 119.22 1kld h LYS 26 Ca -0.27 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.08 1kld h LYS 26 Cb 1.93 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.73 1kld h LYS 26 CO 0.17 0.30 -0.33 -0.44 -2.27 0.00 0.00 179.45 176.88 1kld h ASP 27 N 0.01 0.00 0.79 4.20 3.32 -1.34 -3.41 116.42 120.00 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 0.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.75 1kld h ASP 27 CO -0.00 0.53 -0.54 0.18 -1.72 0.00 0.00 179.24 177.70 1kld n LEU 28 N -4.01 0.61 -0.61 1.55 4.77 -1.02 -4.90 117.00 113.39 1kld n LEU 28 Ca -0.05 0.19 -0.08 0.00 -0.03 0.00 0.00 56.01 56.05 1kld n LEU 28 Cb 0.17 -0.22 -0.03 0.00 -2.33 0.00 0.00 43.42 41.00 1kld n LEU 28 CO 0.07 -0.01 -0.08 0.61 -1.33 0.00 0.00 177.39 176.66 1kld n GLY 29 N 1.39 0.77 3.63 -0.72 0.00 0.47 -4.83 105.19 105.89 1kld n GLY 29 Ca 0.04 -0.02 -0.58 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.18 1.50 0.57 1.61 7.02 0.27 -4.77 117.44 121.46 1kld n TRP 30 Ca -0.08 0.79 0.07 0.00 -1.02 0.00 0.00 57.50 57.26 1kld n TRP 30 Cb 0.55 -2.29 -0.09 0.00 -2.42 0.00 0.00 31.31 27.06 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 3.28 1.79 0.00 -0.99 4.76 -1.26 -4.30 118.16 121.43 1kld n LYS 31 Ca 0.23 -0.03 0.15 0.00 -2.87 0.00 0.00 58.31 55.79 1kld n LYS 31 Cb 0.11 -1.23 0.69 0.00 -1.84 0.00 0.00 35.03 32.75 1kld n LYS 31 CO 0.00 0.00 0.00 -2.67 -1.37 0.00 0.00 177.40 173.36 1kld n TRP 32 N -1.48 0.00 -4.80 2.13 4.27 -1.26 -4.75 117.44 111.55 1kld n TRP 32 Ca 0.02 0.00 -0.27 0.00 -3.89 0.00 0.00 57.50 53.36 1kld n TRP 32 Cb 0.26 -0.04 -0.17 0.00 -1.36 0.00 0.00 31.31 30.00 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 -2.12 1.47 -0.23 -1.67 1.01 -1.26 -4.31 121.20 114.08 1kld s ILE 33 Ca 0.39 -0.67 -0.14 0.00 0.00 0.00 0.00 60.65 60.23 1kld s ILE 33 Cb 0.21 -1.31 -0.17 0.00 0.01 0.00 0.00 42.46 41.20 1kld s ILE 33 CO 0.38 0.43 -0.03 1.57 0.00 0.00 0.00 174.94 177.29 1kld n HIS 34 N 3.73 0.55 -4.24 3.97 -0.00 -0.33 -4.95 115.22 113.94 1kld n HIS 34 Ca -0.21 0.20 -0.15 0.00 -0.00 0.00 0.00 57.72 57.56 1kld n HIS 34 Cb 0.52 -1.06 -0.10 0.00 -0.00 0.00 0.00 29.99 29.35 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 -2.46 1.03 0.97 1.57 0.41 -0.87 -4.44 118.70 114.91 1kld s GLU 35 Ca -0.33 -1.39 -0.16 0.00 -0.41 0.00 0.00 54.97 52.69 1kld s GLU 35 Cb 0.10 -0.64 0.20 0.00 -1.78 0.00 0.00 34.13 32.00 1kld s GLU 35 CO 0.58 0.09 1.29 -1.25 -0.49 0.00 0.00 175.26 175.47 1kld s PRO 36 N -3.50 0.58 0.38 0.39 0.04 -1.26 -0.64 135.00 130.99 1kld s PRO 36 Ca 0.14 -0.31 0.13 0.00 0.04 0.00 0.00 61.00 61.00 1kld s PRO 36 Cb 0.01 -1.83 0.94 0.00 0.04 0.00 0.00 34.50 33.66 1kld s PRO 36 CO 0.01 -2.47 1.84 0.87 0.04 0.00 0.00 177.00 177.29 1kld h LYS 37 N -1.68 0.54 0.00 4.56 1.57 -1.98 -3.44 116.57 116.14 1kld h LYS 37 Ca -0.45 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 1kld h LYS 37 Cb 1.25 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.44 1kld h LYS 37 CO 0.41 0.36 0.00 0.41 -0.57 0.00 0.00 179.45 180.05 1kld n GLY 38 N -1.46 2.31 0.00 3.86 0.00 -1.26 -2.11 105.19 106.54 1kld n GLY 38 Ca 0.20 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.86 1.61 4.11 -1.06 -4.87 117.16 114.08 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 -0.00 4.86 -0.24 -3.48 8.25 -1.26 -1.58 115.22 121.77 1kld n HIS 40 Ca 0.00 -3.26 -0.07 0.00 -0.26 0.00 0.00 57.72 54.13 1kld n HIS 40 Cb 0.00 -2.26 0.06 0.00 1.12 0.00 0.00 29.99 28.91 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 7.15 0.97 -3.06 -1.41 0.00 -1.86 -3.39 119.26 117.66 1kld h ALA 41 Ca 0.34 -0.25 0.37 0.00 0.00 0.00 0.00 54.91 55.37 1kld h ALA 41 Cb 0.86 -0.27 -0.10 0.00 0.00 0.00 0.00 17.79 18.29 1kld h ALA 41 CO 1.30 0.66 -0.54 0.09 0.00 0.00 0.00 179.25 180.75 1kld n ASN 42 N -4.23 -8.11 0.00 0.00 3.02 -1.21 -2.99 115.26 101.74 1kld n ASN 42 Ca 0.05 0.60 0.00 0.00 -0.03 0.00 0.00 54.58 55.20 1kld n ASN 42 Cb 0.27 -4.16 0.00 0.00 -0.61 0.00 0.00 39.78 35.27 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 -4.08 0.00 -4.79 3.10 -1.74 -1.04 -4.67 117.46 104.24 1kld n PHE 43 Ca 0.00 0.00 -0.29 0.00 -0.56 0.00 0.00 57.45 56.60 1kld n PHE 43 Cb 0.62 0.00 -0.14 0.00 1.52 0.00 0.00 39.48 41.48 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 1.70 0.00 -1.52 0.00 4.77 -1.20 -4.90 117.00 115.86 1kld n LEU 45 Ca -0.17 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 55.95 1kld n LEU 45 Cb 0.52 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.54 1kld n LEU 45 CO 0.23 0.00 -0.63 0.61 -1.33 0.00 0.00 177.39 176.27 1kld n GLY 46 N 0.00 -3.59 0.00 -0.72 0.00 -1.26 -3.51 105.19 96.11 1kld n GLY 46 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.03 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 -4.03 0.65 -3.67 1.61 -0.04 -1.26 -4.19 135.00 124.08 1kld n PRO 47 Ca -0.08 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.23 1kld n PRO 47 Cb 0.66 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.97 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 5.31 2.14 0.00 0.00 -0.04 -1.26 -4.62 135.00 136.52 1kld n PRO 49 Ca -0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 1kld n PRO 49 Cb 0.50 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.96 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 -0.09 0.00 -0.49 0.54 4.11 -1.26 -4.44 117.16 115.52 1kld n TYR 50 Ca 0.00 0.00 0.40 0.00 -0.00 0.00 0.00 57.90 58.30 1kld n TYR 50 Cb 0.00 0.00 0.61 0.00 -0.00 0.00 0.00 39.34 39.95 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 -0.67 0.00 -0.90 -3.48 -5.35 -1.26 -4.38 119.36 103.32 1kld n ILE 51 Ca 0.00 1.23 -0.35 0.00 -0.27 0.00 0.00 62.75 63.36 1kld n ILE 51 Cb 0.00 -2.10 0.08 0.00 -1.74 0.00 0.00 39.64 35.88 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 -3.46 -3.05 -1.53 4.28 -0.00 -1.26 -4.42 117.44 107.99 1kld n TRP 52 Ca 0.33 0.18 -0.16 0.00 -0.00 0.00 0.00 57.50 57.86 1kld n TRP 52 Cb 1.63 -1.53 -0.12 0.00 -0.00 0.00 0.00 31.31 31.29 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 1.56 0.62 -4.71 5.87 7.64 -1.26 -4.86 113.62 118.47 1kld n SER 53 Ca 0.01 -1.21 -0.41 0.00 1.01 0.00 0.00 58.87 58.27 1kld n SER 53 Cb 0.60 -1.27 -0.03 0.00 -1.01 0.00 0.00 64.21 62.50 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 9.68 4.36 -0.12 -3.43 1.43 -1.26 -3.99 118.68 125.34 1kld s LEU 54 Ca 1.04 1.55 -0.08 0.00 -1.03 0.00 0.00 54.13 55.61 1kld s LEU 54 Cb -0.37 -3.46 -0.03 0.00 0.03 0.00 0.00 46.19 42.37 1kld s LEU 54 CO 0.25 -0.23 -0.16 -0.67 0.23 0.00 0.00 176.35 175.77 1kld n ASP 55 N 3.90 1.52 -4.96 2.29 2.03 -1.23 -4.96 116.55 115.12 1kld n ASP 55 Ca 0.04 0.54 -0.22 0.00 0.52 0.00 0.00 54.79 55.68 1kld n ASP 55 Cb 0.51 -0.80 -0.02 0.00 -0.72 0.00 0.00 41.12 40.10 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 -2.09 5.05 0.41 5.18 -4.23 -1.26 -4.99 115.64 113.72 1kld s THR 56 Ca -0.13 -0.83 0.15 0.00 -1.18 0.00 0.00 61.69 59.69 1kld s THR 56 Cb 0.02 -3.80 0.16 0.00 1.34 0.00 0.00 72.50 70.21 1kld s THR 56 CO 0.20 -0.37 1.93 1.56 -0.54 0.00 0.00 174.62 177.40 1kld h GLN 57 N 1.00 0.00 -0.19 3.99 1.08 -1.97 -1.99 115.11 117.04 1kld h GLN 57 Ca -0.51 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 56.64 1kld h GLN 57 Cb 1.23 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.65 1kld h GLN 57 CO 0.60 0.25 -0.13 -0.92 -0.95 0.00 0.00 178.83 177.69 1kld h TYR 58 N 0.00 0.31 0.00 2.96 3.20 -1.94 -1.24 116.97 120.26 1kld h TYR 58 Ca -0.00 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.83 1kld h TYR 58 Cb 0.46 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.64 1kld h TYR 58 CO 0.00 0.42 0.00 0.66 -1.64 0.00 0.00 178.16 177.60 1kld h SER 59 N 0.28 0.00 0.21 -2.11 4.64 -1.64 -1.71 113.55 113.22 1kld h SER 59 Ca 0.06 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 61.03 1kld h SER 59 Cb 0.40 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.50 1kld h SER 59 CO 0.02 0.00 -1.74 0.50 -0.87 0.00 0.00 176.83 174.74 1kld h LYS 60 N 0.00 0.39 0.03 4.77 3.64 -1.31 -2.98 116.57 121.12 1kld h LYS 60 Ca 0.00 -0.67 -0.00 0.00 -1.27 0.00 0.00 60.65 58.70 1kld h LYS 60 Cb 0.12 0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1kld h LYS 60 CO 0.00 1.32 -0.02 0.28 -2.27 0.00 0.00 179.45 178.76 1kld h VAL 61 N 0.11 0.00 -1.11 2.00 2.07 -1.26 -3.15 116.25 114.91 1kld h VAL 61 Ca -0.34 -0.03 0.32 0.00 0.82 0.00 0.00 66.70 67.47 1kld h VAL 61 Cb 2.10 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 31.82 1kld h VAL 61 CO 0.18 0.00 0.79 0.25 0.02 0.00 0.00 177.57 178.82 1kld h LEU 62 N -0.07 0.02 -0.33 2.57 5.85 -1.55 0.39 115.31 122.18 1kld h LEU 62 Ca -0.00 0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.79 1kld h LEU 62 Cb 0.03 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 40.98 1kld h LEU 62 CO 0.01 0.00 -0.23 0.00 -0.34 0.00 0.00 178.44 177.88 1kld h ALA 63 N 1.45 -0.03 -0.00 1.25 0.00 -1.48 -0.45 119.26 120.00 1kld h ALA 63 Ca 0.53 0.11 -0.19 0.00 0.00 0.00 0.00 54.91 55.36 1kld h ALA 63 Cb 2.10 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 20.38 1kld h ALA 63 CO -0.02 -0.62 -0.84 -0.07 0.00 0.00 0.00 179.25 177.70 1kld h LEU 64 N -0.19 0.21 -1.66 0.00 3.38 -0.97 -1.93 115.31 114.15 1kld h LEU 64 Ca 0.17 -0.17 0.25 0.00 0.09 0.00 0.00 57.88 58.22 1kld h LEU 64 Cb 0.45 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 41.07 1kld h LEU 64 CO -0.44 0.96 0.66 0.22 0.09 0.00 0.00 178.44 179.92 1kld h TYR 65 N 0.09 0.37 0.01 1.13 3.20 -0.11 0.22 116.97 121.88 1kld h TYR 65 Ca -0.03 0.01 -0.31 0.00 3.14 0.00 0.00 58.73 61.54 1kld h TYR 65 Cb 1.46 -0.11 -0.04 0.00 1.54 0.00 0.00 36.73 39.58 1kld h TYR 65 CO 0.02 0.07 -1.70 -1.71 -1.64 0.00 0.00 178.16 173.20 1kld n ASN 66 N -4.44 1.91 0.15 -2.11 5.15 -0.56 -3.40 115.26 111.96 1kld n ASN 66 Ca 0.21 0.37 0.08 0.00 -0.60 0.00 0.00 54.58 54.64 1kld n ASN 66 Cb 0.88 -0.91 0.40 0.00 -0.53 0.00 0.00 39.78 39.62 1kld n ASN 66 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1kld n GLN 67 N -4.29 0.10 -0.09 1.20 1.13 -0.74 -1.44 117.38 113.25 1kld n GLN 67 Ca -0.39 0.57 -0.23 0.00 -1.94 0.00 0.00 57.00 55.02 1kld n GLN 67 Cb 0.77 -2.01 -0.12 0.00 0.11 0.00 0.00 30.24 29.00 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 -2.06 0.59 -3.25 1.08 8.25 0.72 -4.81 115.22 115.75 1kld n HIS 68 Ca -0.01 0.19 -0.43 0.00 -0.26 0.00 0.00 57.72 57.21 1kld n HIS 68 Cb 0.21 -1.07 -0.08 0.00 1.12 0.00 0.00 29.99 30.17 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 -7.00 6.25 -0.66 0.41 0.01 -0.52 -5.01 114.94 108.42 1kld s ASN 69 Ca -0.31 -0.46 -0.27 0.00 -0.71 0.00 0.00 52.86 51.11 1kld s ASN 69 Cb 0.09 -2.26 0.02 0.00 0.41 0.00 0.00 41.25 39.51 1kld s ASN 69 CO 0.61 -0.62 1.41 -2.16 -1.51 0.00 0.00 177.10 174.83 1kld s PRO 70 N 2.38 3.14 0.00 -0.60 0.04 -1.26 -3.07 135.00 135.63 1kld s PRO 70 Ca 0.16 0.11 0.00 0.00 0.04 0.00 0.00 61.00 61.31 1kld s PRO 70 Cb -0.16 -4.19 0.00 0.00 0.04 0.00 0.00 34.50 30.19 1kld s PRO 70 CO 0.15 -2.17 0.00 0.41 0.04 0.00 0.00 177.00 175.43 1kld n GLY 71 N 5.38 1.85 3.65 0.56 0.00 -1.26 -5.11 105.19 110.26 1kld n GLY 71 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.94 3.58 -0.45 4.61 0.00 -1.17 -4.97 121.76 121.43 1kld s ALA 72 Ca 0.00 -0.81 -0.02 0.00 0.00 0.00 0.00 51.96 51.13 1kld s ALA 72 Cb 0.00 -2.46 0.20 0.00 0.00 0.00 0.00 23.12 20.87 1kld s ALA 72 CO 0.00 -0.30 2.28 -1.13 0.00 0.00 0.00 175.76 176.61 1kld n SER 73 N 4.51 6.72 -0.19 0.00 3.41 -1.26 -4.14 113.62 122.68 1kld n SER 73 Ca -0.13 -3.27 0.06 0.00 -0.26 0.00 0.00 58.87 55.27 1kld n SER 73 Cb 0.52 -1.11 0.08 0.00 -0.26 0.00 0.00 64.21 63.44 1kld n SER 73 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1kld n ALA 74 N 0.29 2.11 -0.65 7.33 0.00 -1.26 -5.07 120.51 123.26 1kld n ALA 74 Ca 0.43 -1.92 -0.07 0.00 0.00 0.00 0.00 53.44 51.88 1kld n ALA 74 Cb 0.56 -0.37 0.11 0.00 0.00 0.00 0.00 19.45 19.75 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 -0.87 -2.02 -1.00 0.00 0.00 -1.26 -4.91 120.51 110.45 1kld n ALA 75 Ca 0.09 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.94 1kld n ALA 75 Cb 0.62 -0.05 0.00 0.00 0.00 0.00 0.00 19.45 20.02 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 -1.96 0.56 -3.41 0.00 -0.04 -1.26 -5.03 135.00 123.85 1kld n PRO 76 Ca 0.05 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.31 1kld n PRO 76 Cb 0.23 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.59 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 -0.70 0.03 -0.75 0.00 -7.23 -0.43 -4.67 120.40 106.65 1kld s VAL 79 Ca 0.58 -1.70 -0.26 0.00 -1.81 0.00 0.00 61.98 58.79 1kld s VAL 79 Cb -0.50 -2.22 0.02 0.00 0.56 0.00 0.00 36.38 34.23 1kld s VAL 79 CO 0.58 -0.12 1.48 -2.16 -0.31 0.00 0.00 175.10 174.57 1kld s PRO 80 N -4.07 3.06 -0.02 4.82 0.04 -1.26 0.15 135.00 137.72 1kld s PRO 80 Ca 0.28 -0.13 -0.15 0.00 0.04 0.00 0.00 61.00 61.04 1kld s PRO 80 Cb 0.04 -4.42 -0.08 0.00 0.04 0.00 0.00 34.50 30.08 1kld s PRO 80 CO 0.07 -2.37 0.68 0.37 0.04 0.00 0.00 177.00 175.79 1kld h GLN 81 N 11.33 -0.51 -6.29 4.56 4.15 -1.29 -3.44 115.11 123.61 1kld h GLN 81 Ca -0.20 0.03 -0.56 0.00 0.77 0.00 0.00 58.65 58.69 1kld h GLN 81 Cb 1.07 0.12 -0.04 0.00 0.21 0.00 0.00 27.48 28.84 1kld h GLN 81 CO 1.28 -0.34 -0.15 0.00 -1.93 0.00 0.00 178.83 177.69 1kld s ALA 82 N -3.95 3.63 0.00 3.38 0.00 -1.13 -5.01 121.76 118.67 1kld s ALA 82 Ca -0.08 -0.26 0.00 0.00 0.00 0.00 0.00 51.96 51.62 1kld s ALA 82 Cb 0.01 -2.41 0.00 0.00 0.00 0.00 0.00 23.12 20.72 1kld s ALA 82 CO 0.23 0.51 0.00 1.28 0.00 0.00 0.00 175.76 177.79 1kld n LEU 83 N 0.52 0.00 -3.74 0.00 4.77 -1.26 -1.77 117.00 115.52 1kld n LEU 83 Ca -0.04 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.84 1kld n LEU 83 Cb 0.52 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.56 1kld n LEU 83 CO 0.44 0.00 0.09 -1.61 -1.33 0.00 0.00 177.39 174.97 1kld s GLU 84 N -1.44 1.06 0.00 3.23 2.02 -0.75 -4.61 118.70 118.21 1kld s GLU 84 Ca 0.00 -0.84 0.00 0.00 0.02 0.00 0.00 54.97 54.15 1kld s GLU 84 Cb 0.00 0.43 0.00 0.00 0.10 0.00 0.00 34.13 34.66 1kld s GLU 84 CO 0.00 -0.40 0.00 -0.35 0.02 0.00 0.00 175.26 174.53 1kld n PRO 85 N -0.20 0.71 -3.18 0.39 -0.04 -1.26 0.73 135.00 132.16 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 -1.02 -0.54 1.53 2.96 0.20 -4.30 118.68 117.51 1kld s LEU 86 Ca 0.00 0.69 -0.28 0.00 -0.22 0.00 0.00 54.13 54.32 1kld s LEU 86 Cb 0.00 1.88 0.02 0.00 0.50 0.00 0.00 46.19 48.58 1kld s LEU 86 CO 0.00 -0.19 1.38 -2.16 -1.32 0.00 0.00 176.35 174.06 1kld s PRO 87 N 2.88 3.38 0.00 0.98 0.04 -1.26 0.33 135.00 141.35 1kld s PRO 87 Ca 0.11 0.52 0.00 0.00 0.04 0.00 0.00 61.00 61.67 1kld s PRO 87 Cb -0.13 -4.09 0.00 0.00 0.04 0.00 0.00 34.50 30.32 1kld s PRO 87 CO -0.17 -1.83 0.00 0.44 0.04 0.00 0.00 177.00 175.48 1kld n ILE 88 N 6.88 0.00 -3.15 0.56 -5.35 -0.90 -4.24 119.36 113.15 1kld n ILE 88 Ca 0.13 0.00 0.04 0.00 -0.27 0.00 0.00 62.75 62.65 1kld n ILE 88 Cb 0.49 -0.10 -0.01 0.00 -1.74 0.00 0.00 39.64 38.28 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 0.94 -0.79 0.03 7.28 1.01 0.19 -2.85 120.40 126.22 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 -0.98 0.00 0.00 0.00 0.00 0.00 36.38 35.40 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 -0.20 -4.31 5.22 4.11 -0.64 -1.19 117.16 125.58 1kld n TYR 90 Ca -0.02 -0.14 -0.19 0.00 -0.00 0.00 0.00 57.90 57.55 1kld n TYR 90 Cb 0.52 -0.02 -0.15 0.00 -0.00 0.00 0.00 39.34 39.69 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 -0.94 0.81 -0.60 -3.48 1.51 -1.26 -1.27 117.35 112.12 1kld s TYR 91 Ca 0.00 -0.19 -0.05 0.00 -1.01 0.00 0.00 57.07 55.82 1kld s TYR 91 Cb -0.00 -0.59 0.16 0.00 -0.11 0.00 0.00 41.96 41.42 1kld s TYR 91 CO 0.00 -0.08 0.44 0.08 -1.11 0.00 0.00 175.55 174.87 1kld s VAL 92 N 0.19 3.97 0.00 0.71 1.01 -0.61 -4.86 120.40 120.81 1kld s VAL 92 Ca -0.03 -2.61 0.00 0.00 0.00 0.00 0.00 61.98 59.34 1kld s VAL 92 Cb -0.08 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.72 1kld s VAL 92 CO 0.00 -0.86 0.00 0.61 0.00 0.00 0.00 175.10 174.85 1kld n GLY 93 N 3.90 2.19 0.00 4.51 0.00 -1.26 -2.97 105.19 111.56 1kld n GLY 93 Ca 0.05 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -3.87 1.61 1.74 -1.26 -5.09 116.66 109.80 1kld n ARG 94 Ca 0.00 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.71 1kld n ARG 94 Cb 0.00 -0.22 -0.06 0.00 -1.02 0.00 0.00 32.46 31.16 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 3.49 0.40 5.56 3.01 -1.16 -5.08 119.74 125.97 1kld s LYS 95 Ca 0.00 -0.13 -0.23 0.00 -1.01 0.00 0.00 55.97 54.60 1kld s LYS 95 Cb 0.00 -3.20 -0.10 0.00 -1.01 0.00 0.00 37.83 33.52 1kld s LYS 95 CO 0.00 0.75 1.00 -1.25 0.51 0.00 0.00 175.35 176.36 1kld s PRO 96 N -0.95 4.22 -0.23 -1.68 0.04 -1.26 -1.58 135.00 133.57 1kld s PRO 96 Ca 0.15 1.35 -0.03 0.00 0.04 0.00 0.00 61.00 62.51 1kld s PRO 96 Cb -0.12 -2.44 0.11 0.00 0.04 0.00 0.00 34.50 32.08 1kld s PRO 96 CO 0.04 -0.06 0.24 0.15 0.04 0.00 0.00 177.00 177.41 1kld s LYS 97 N -2.67 0.23 -0.12 4.56 -0.14 -0.40 -4.91 119.74 116.29 1kld s LYS 97 Ca 0.58 0.10 -0.20 0.00 -1.36 0.00 0.00 55.97 55.10 1kld s LYS 97 Cb -0.17 -1.04 -0.04 0.00 -1.68 0.00 0.00 37.83 34.90 1kld s LYS 97 CO 0.22 -0.76 0.56 0.08 -0.76 0.00 0.00 175.35 174.69 1kld s VAL 98 N 2.33 5.12 0.00 3.17 1.01 -1.26 -1.63 120.40 129.15 1kld s VAL 98 Ca 0.08 1.11 0.00 0.00 0.00 0.00 0.00 61.98 63.17 1kld s VAL 98 Cb -0.15 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.33 1kld s VAL 98 CO -0.18 0.26 0.00 1.21 0.00 0.00 0.00 175.10 176.39 1kld n GLU 99 N 3.98 2.07 -3.18 2.72 2.13 -1.13 -4.95 120.64 122.27 1kld n GLU 99 Ca -0.05 0.00 -0.18 0.00 0.66 0.00 0.00 57.16 57.59 1kld n GLU 99 Cb 0.51 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 32.16 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 1.06 0.92 0.43 5.31 1.11 -1.24 -2.12 119.66 125.13 1kld s GLN 100 Ca 0.00 -1.62 -0.22 0.00 0.01 0.00 0.00 55.36 53.54 1kld s GLN 100 Cb 0.00 -0.89 -0.13 0.00 -1.01 0.00 0.00 33.01 30.98 1kld s GLN 100 CO 0.00 -1.35 0.37 1.28 0.01 0.00 0.00 175.29 175.61 1kld n LEU 101 N 3.05 -1.00 -4.85 2.90 4.77 0.15 -4.22 117.00 117.81 1kld n LEU 101 Ca 0.24 0.86 -0.36 0.00 -0.03 0.00 0.00 56.01 56.72 1kld n LEU 101 Cb 0.50 -1.03 -0.06 0.00 -2.33 0.00 0.00 43.42 40.49 1kld n LEU 101 CO 0.05 -3.39 -0.20 -0.94 -1.33 0.00 0.00 177.39 171.59 1kld s SER 102 N -0.99 6.15 -1.38 -1.43 1.04 -1.26 0.59 113.70 116.42 1kld s SER 102 Ca 0.62 0.37 0.00 0.00 0.48 0.00 0.00 55.95 57.42 1kld s SER 102 Cb -0.60 -1.93 0.00 0.00 0.10 0.00 0.00 66.02 63.59 1kld s SER 102 CO 0.59 0.36 0.00 0.59 0.98 0.00 0.00 173.24 175.77 1kld n ASN 103 N 1.72 -4.77 -1.64 7.02 3.02 -0.80 -4.81 115.26 115.00 1kld n ASN 103 Ca -0.17 0.11 -0.04 0.00 -0.03 0.00 0.00 54.58 54.45 1kld n ASN 103 Cb 0.54 -4.02 0.22 0.00 -0.61 0.00 0.00 39.78 35.91 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 -2.88 2.97 -3.80 3.52 1.56 0.22 -4.66 117.12 114.06 1kld n MET 104 Ca -0.19 -2.17 -0.09 0.00 -0.27 0.00 0.00 57.70 54.97 1kld n MET 104 Cb 0.64 -1.95 -0.04 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 -2.27 0.03 -0.06 1.12 1.01 -0.53 -4.78 121.20 115.72 1kld s ILE 105 Ca 0.39 -0.93 0.04 0.00 0.00 0.00 0.00 60.65 60.15 1kld s ILE 105 Cb 0.31 -1.67 -0.02 0.00 0.01 0.00 0.00 42.46 41.09 1kld s ILE 105 CO 0.10 -0.14 -0.17 -0.69 0.00 0.00 0.00 174.94 174.03 1kld s VAL 106 N -3.90 2.79 -0.16 2.92 1.01 -1.16 -1.81 120.40 120.10 1kld s VAL 106 Ca 0.11 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.31 1kld s VAL 106 Cb -0.00 -2.09 -0.01 0.00 0.00 0.00 0.00 36.38 34.28 1kld s VAL 106 CO -0.01 0.57 0.23 -1.14 0.00 0.00 0.00 175.10 174.74 1kld n ARG 107 N 2.68 4.36 0.00 2.72 0.63 -0.73 -4.85 116.66 121.47 1kld n ARG 107 Ca -0.17 -0.18 0.00 0.00 -0.92 0.00 0.00 57.85 56.58 1kld n ARG 107 Cb 0.52 -0.72 0.00 0.00 0.45 0.00 0.00 32.46 32.71 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 -0.72 0.00 -1.76 6.15 7.64 -1.23 -4.56 113.62 119.14 1kld n SER 108 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.89 1kld n SER 108 Cb 0.04 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 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 -0.78 0.00 -3.65 0.00 3.00 0.39 -4.33 118.16 112.79 1kld n LYS 110 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 58.31 58.02 1kld n LYS 110 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 35.03 34.91 1kld n LYS 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40