#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 6.13 0.00 0.00 4.77 -1.26 -4.75 117.00 121.89 1kld n LEU 2 Ca 0.00 -5.51 -0.25 0.00 -0.03 0.00 0.00 56.01 50.21 1kld n LEU 2 Cb 0.00 -0.91 -0.01 0.00 -2.33 0.00 0.00 43.42 40.17 1kld n LEU 2 CO 0.00 2.18 0.01 -0.90 -1.33 0.00 0.00 177.39 177.35 1kld n ASP 3 N -0.15 2.75 -0.04 -1.43 5.68 -1.26 -2.16 116.55 119.94 1kld n ASP 3 Ca 0.40 -2.81 0.02 0.00 -0.50 0.00 0.00 54.79 51.90 1kld n ASP 3 Cb 0.32 0.03 0.09 0.00 -1.14 0.00 0.00 41.12 40.42 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 -1.60 0.03 -0.11 2.12 -2.24 -1.26 -1.97 114.28 109.24 1kld n THR 4 Ca -0.05 -0.03 -0.22 0.00 -2.27 0.00 0.00 64.05 61.49 1kld n THR 4 Cb 0.58 -0.03 -0.12 0.00 -2.10 0.00 0.00 70.33 68.67 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 -0.48 1.99 0.08 3.42 3.02 -1.26 -4.05 115.26 117.98 1kld n ASN 5 Ca 0.03 0.07 0.11 0.00 -0.03 0.00 0.00 54.58 54.76 1kld n ASN 5 Cb 0.03 -0.61 0.01 0.00 -0.61 0.00 0.00 39.78 38.60 1kld n ASN 5 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1kld n TYR 6 N -3.61 0.76 0.97 3.10 9.36 -1.22 -3.75 117.16 122.77 1kld n TYR 6 Ca -0.45 0.22 0.14 0.00 3.32 0.00 0.00 57.90 61.13 1kld n TYR 6 Cb 0.95 -0.83 0.57 0.00 -0.63 0.00 0.00 39.34 39.41 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 -1.56 0.77 -1.72 0.00 3.01 -1.25 -4.74 117.46 111.96 1kld n PHE 8 Ca 0.07 -1.55 0.00 0.00 1.01 0.00 0.00 57.45 56.98 1kld n PHE 8 Cb 0.35 -0.95 0.00 0.00 -0.01 0.00 0.00 39.48 38.87 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 1.15 0.26 0.00 4.37 7.64 -1.25 -5.06 113.62 120.73 1kld n SER 9 Ca 0.24 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.12 1kld n SER 9 Cb 0.60 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 1kld n SER 9 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1kld n SER 10 N 0.00 0.22 -1.43 6.43 2.88 -1.26 -5.07 113.62 115.39 1kld n SER 10 Ca 0.00 -0.56 0.00 0.00 -1.33 0.00 0.00 58.87 56.98 1kld n SER 10 Cb 0.00 0.50 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 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 -0.50 0.00 -1.48 2.46 -2.24 -1.26 -5.05 114.28 106.20 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 0.02 -0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.10 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 -0.11 -4.16 -0.38 -0.78 2.13 -1.26 -4.96 120.64 111.13 1kld n GLU 12 Ca 0.00 3.01 0.02 0.00 0.66 0.00 0.00 57.16 60.85 1kld n GLU 12 Cb 0.00 -3.32 0.03 0.00 0.27 0.00 0.00 31.44 28.43 1kld n GLU 12 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1kld n LYS 13 N 0.22 0.32 -0.12 5.31 4.81 -1.26 -5.03 118.16 122.42 1kld n LYS 13 Ca 0.00 -1.35 0.00 0.00 -0.87 0.00 0.00 58.31 56.09 1kld n LYS 13 Cb 0.00 -0.74 0.00 0.00 0.02 0.00 0.00 35.03 34.31 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 -0.34 0.00 -4.54 3.14 3.02 -1.26 -4.05 115.26 111.23 1kld n ASN 14 Ca 0.04 -0.23 -0.15 0.00 -0.03 0.00 0.00 54.58 54.21 1kld n ASN 14 Cb 0.68 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.74 1kld n ASN 14 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1kld s VAL 17 N 1.60 3.16 0.31 0.00 0.11 -1.26 -3.42 120.40 120.90 1kld s VAL 17 Ca -0.01 0.17 0.00 0.00 -2.93 0.00 0.00 61.98 59.22 1kld s VAL 17 Cb -0.13 -3.20 -0.04 0.00 -1.53 0.00 0.00 36.38 31.49 1kld s VAL 17 CO -0.04 -0.11 0.51 -0.13 -3.33 0.00 0.00 175.10 172.01 1kld s ARG 18 N 5.77 3.50 0.53 1.54 0.52 0.69 -4.53 118.95 126.97 1kld s ARG 18 Ca 0.92 -0.33 -0.22 0.00 -0.52 0.00 0.00 55.73 55.57 1kld s ARG 18 Cb -0.32 -2.71 -0.05 0.00 0.52 0.00 0.00 34.95 32.39 1kld s ARG 18 CO 0.35 0.22 1.36 1.14 0.02 0.00 0.00 175.30 178.39 1kld s GLN 19 N -4.06 3.24 -0.34 3.54 0.00 -1.26 -2.33 119.66 118.45 1kld s GLN 19 Ca 0.40 2.24 0.15 0.00 -0.00 0.00 0.00 55.36 58.14 1kld s GLN 19 Cb -0.10 -2.32 0.43 0.00 0.00 0.00 0.00 33.01 31.02 1kld s GLN 19 CO 0.34 -1.11 1.27 -0.11 0.00 0.00 0.00 175.29 175.67 1kld n LEU 20 N -0.89 -0.40 -4.56 2.60 7.94 -1.26 -4.74 117.00 115.69 1kld n LEU 20 Ca 0.09 -3.39 -0.51 0.00 -1.11 0.00 0.00 56.01 51.10 1kld n LEU 20 Cb 0.45 0.21 -0.05 0.00 0.53 0.00 0.00 43.42 44.56 1kld n LEU 20 CO 0.53 1.63 0.71 0.00 -1.11 0.00 0.00 177.39 179.15 1kld n TYR 21 N -0.71 1.18 -4.05 1.96 4.19 -1.26 -3.27 117.16 115.21 1kld n TYR 21 Ca -0.02 0.73 -0.31 0.00 3.31 0.00 0.00 57.90 61.61 1kld n TYR 21 Cb 0.84 -2.25 -0.16 0.00 0.49 0.00 0.00 39.34 38.26 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 -0.03 1.76 -0.82 2.97 1.01 -0.64 -4.87 121.20 120.58 1kld s ILE 22 Ca 0.78 -0.80 -0.24 0.00 0.00 0.00 0.00 60.65 60.39 1kld s ILE 22 Cb -0.93 -1.65 0.06 0.00 0.01 0.00 0.00 42.46 39.95 1kld s ILE 22 CO 0.51 0.44 1.22 -0.62 0.00 0.00 0.00 174.94 176.49 1kld s ASP 23 N 1.40 6.32 0.00 3.58 2.15 -1.26 -2.47 116.67 126.39 1kld s ASP 23 Ca 0.04 -1.07 0.00 0.00 0.43 0.00 0.00 52.55 51.94 1kld s ASP 23 Cb -0.13 -2.50 0.00 0.00 -0.30 0.00 0.00 42.92 39.98 1kld s ASP 23 CO -0.11 -1.54 0.00 0.49 -0.17 0.00 0.00 175.17 173.84 1kld n PHE 24 N 8.41 0.00 0.04 -5.34 3.72 -0.44 0.18 117.46 124.03 1kld n PHE 24 Ca 0.12 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.32 1kld n PHE 24 Cb 0.49 -0.39 -0.14 0.00 -0.94 0.00 0.00 39.48 38.49 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 0.29 0.10 -1.08 0.11 -1.78 1.45 114.38 113.47 1kld h ARG 25 Ca 0.00 -0.49 -0.00 0.00 0.10 0.00 0.00 59.98 59.58 1kld h ARG 25 Cb 0.00 0.18 0.00 0.00 1.11 0.00 0.00 29.97 31.26 1kld h ARG 25 CO 0.00 1.17 -0.05 -0.22 0.10 0.00 0.00 179.97 180.97 1kld h LYS 26 N 0.08 -0.12 0.00 0.08 3.11 0.15 -1.81 116.57 118.06 1kld h LYS 26 Ca -0.34 0.01 -0.07 0.00 -2.81 0.00 0.00 60.65 57.44 1kld h LYS 26 Cb 2.05 0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 33.30 1kld h LYS 26 CO 0.14 0.12 -0.73 -0.44 -2.81 0.00 0.00 179.45 175.73 1kld h ASP 27 N -0.36 0.00 0.98 4.20 3.32 -1.35 -3.40 116.42 119.81 1kld h ASP 27 Ca -0.01 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 56.88 1kld h ASP 27 Cb 0.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.85 1kld h ASP 27 CO 0.02 0.98 -0.78 -0.07 -1.72 0.00 0.00 179.24 177.68 1kld h LEU 28 N -1.00 0.00 0.10 1.55 3.38 -1.61 -3.47 115.31 114.26 1kld h LEU 28 Ca -0.11 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.71 1kld h LEU 28 Cb 0.75 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 1kld h LEU 28 CO -0.07 0.05 -0.04 0.61 0.09 0.00 0.00 178.44 179.09 1kld n GLY 29 N 1.25 0.28 3.61 0.83 0.00 0.47 -4.86 105.19 106.78 1kld n GLY 29 Ca 0.02 -0.03 -0.57 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.23 1.44 0.64 1.61 7.02 0.45 -4.76 117.44 121.60 1kld n TRP 30 Ca -0.02 0.79 0.07 0.00 -1.02 0.00 0.00 57.50 57.33 1kld n TRP 30 Cb 0.42 -2.28 -0.09 0.00 -2.42 0.00 0.00 31.31 26.94 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 3.07 1.85 0.00 -0.99 5.02 -1.26 -4.30 118.16 121.55 1kld n LYS 31 Ca 0.22 -0.01 0.14 0.00 -2.02 0.00 0.00 58.31 56.64 1kld n LYS 31 Cb 0.11 -1.23 0.62 0.00 -0.02 0.00 0.00 35.03 34.52 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 -1.43 0.00 -4.85 2.13 4.27 -1.26 -4.77 117.44 111.53 1kld n TRP 32 Ca 0.02 0.00 -0.28 0.00 -3.89 0.00 0.00 57.50 53.36 1kld n TRP 32 Cb 0.25 -0.05 -0.17 0.00 -1.36 0.00 0.00 31.31 29.98 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 -2.16 1.51 -0.22 -1.67 1.01 -1.26 -4.32 121.20 114.09 1kld s ILE 33 Ca 0.37 -0.70 -0.16 0.00 0.00 0.00 0.00 60.65 60.15 1kld s ILE 33 Cb 0.21 -1.34 -0.11 0.00 0.01 0.00 0.00 42.46 41.23 1kld s ILE 33 CO 0.40 0.44 -0.18 1.57 0.00 0.00 0.00 174.94 177.16 1kld n HIS 34 N 3.66 0.41 -4.28 3.97 -0.00 -0.39 -4.93 115.22 113.66 1kld n HIS 34 Ca -0.21 0.18 -0.18 0.00 -0.00 0.00 0.00 57.72 57.50 1kld n HIS 34 Cb 0.52 -0.89 -0.11 0.00 -0.00 0.00 0.00 29.99 29.52 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 -2.51 1.14 0.97 1.57 2.02 -0.85 -4.34 118.70 116.70 1kld s GLU 35 Ca -0.31 -1.37 -0.15 0.00 0.02 0.00 0.00 54.97 53.16 1kld s GLU 35 Cb 0.08 -1.00 0.19 0.00 0.10 0.00 0.00 34.13 33.50 1kld s GLU 35 CO 0.46 0.18 1.24 -1.25 0.02 0.00 0.00 175.26 175.92 1kld s PRO 36 N -3.03 0.62 0.38 0.39 0.04 -1.26 0.08 135.00 132.21 1kld s PRO 36 Ca 0.14 -0.18 0.12 0.00 0.04 0.00 0.00 61.00 61.12 1kld s PRO 36 Cb -0.03 -1.82 0.91 0.00 0.04 0.00 0.00 34.50 33.60 1kld s PRO 36 CO 0.04 -2.47 1.88 0.87 0.04 0.00 0.00 177.00 177.37 1kld h LYS 37 N -1.68 0.56 0.00 4.56 1.57 -1.97 -3.44 116.57 116.17 1kld h LYS 37 Ca -0.46 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 1kld h LYS 37 Cb 1.27 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.45 1kld h LYS 37 CO 0.45 0.37 0.00 0.41 -0.57 0.00 0.00 179.45 180.11 1kld n GLY 38 N -1.47 3.25 0.00 3.86 0.00 -1.26 -1.33 105.19 108.24 1kld n GLY 38 Ca 0.17 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.10 1.61 4.11 -1.03 -4.83 117.16 114.91 1kld n TYR 39 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.90 57.48 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 -0.07 3.30 -0.33 -3.48 8.25 -1.26 -1.62 115.22 120.01 1kld n HIS 40 Ca 0.00 -2.89 0.02 0.00 -0.26 0.00 0.00 57.72 54.59 1kld n HIS 40 Cb 0.00 -2.23 0.16 0.00 1.12 0.00 0.00 29.99 29.04 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 5.95 1.26 -2.98 -1.41 0.00 -1.83 -3.39 119.26 116.85 1kld h ALA 41 Ca 0.47 -0.00 0.35 0.00 0.00 0.00 0.00 54.91 55.73 1kld h ALA 41 Cb 0.65 -0.23 -0.10 0.00 0.00 0.00 0.00 17.79 18.10 1kld h ALA 41 CO 1.72 0.28 -0.58 0.09 0.00 0.00 0.00 179.25 180.77 1kld n ASN 42 N -4.61 -7.88 0.00 0.00 4.13 -1.20 -2.58 115.26 103.11 1kld n ASN 42 Ca 0.14 0.64 0.00 0.00 1.68 0.00 0.00 54.58 57.04 1kld n ASN 42 Cb 0.21 -4.08 0.00 0.00 -1.54 0.00 0.00 39.78 34.37 1kld n ASN 42 CO 0.00 0.00 0.00 2.22 0.28 0.00 0.00 177.26 179.76 1kld n PHE 43 N -4.02 0.00 -5.00 3.10 -1.74 -0.99 -4.62 117.46 104.18 1kld n PHE 43 Ca -0.00 0.00 -0.29 0.00 -0.56 0.00 0.00 57.45 56.59 1kld n PHE 43 Cb 0.61 0.00 -0.15 0.00 1.52 0.00 0.00 39.48 41.46 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 2.12 0.00 -0.96 0.00 4.77 -1.22 -4.91 117.00 116.79 1kld n LEU 45 Ca -0.16 -1.00 0.03 0.00 -0.03 0.00 0.00 56.01 54.84 1kld n LEU 45 Cb 0.52 0.51 -0.01 0.00 -2.33 0.00 0.00 43.42 42.10 1kld n LEU 45 CO 0.23 -0.17 -0.33 0.61 -1.33 0.00 0.00 177.39 176.41 1kld n GLY 46 N -0.00 -3.48 0.00 -0.72 0.00 -1.26 -3.32 105.19 96.41 1kld n GLY 46 Ca 0.02 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.50 1.12 -4.17 1.61 -0.04 -1.26 -4.08 135.00 125.68 1kld n PRO 47 Ca -0.01 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.24 1kld n PRO 47 Cb 0.33 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.63 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 4.10 -0.18 -0.34 0.00 -0.04 -1.26 -4.63 135.00 132.65 1kld n PRO 49 Ca -0.24 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.34 1kld n PRO 49 Cb 0.51 0.00 0.30 0.00 -0.04 0.00 0.00 33.50 34.27 1kld n PRO 49 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1kld n TYR 50 N -1.85 0.89 0.00 0.54 4.01 -1.26 -4.28 117.16 115.20 1kld n TYR 50 Ca 0.00 -0.45 0.00 0.00 -0.16 0.00 0.00 57.90 57.29 1kld n TYR 50 Cb 0.00 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 1kld n TYR 50 CO 0.00 0.00 0.00 0.44 -0.46 0.00 0.00 176.86 176.84 1kld n ILE 51 N 1.62 0.00 0.00 -0.72 -5.35 -1.26 -4.98 119.36 108.67 1kld n ILE 51 Ca 0.23 -0.25 0.00 0.00 -0.27 0.00 0.00 62.75 62.46 1kld n ILE 51 Cb 0.62 0.94 0.00 0.00 -1.74 0.00 0.00 39.64 39.46 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 -0.57 -0.69 -0.93 4.28 -0.00 -1.26 -4.68 117.44 113.59 1kld n TRP 52 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 57.50 57.37 1kld n TRP 52 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 31.31 31.27 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 0.00 5.89 -4.60 5.87 3.41 -1.26 -4.95 113.62 117.98 1kld n SER 53 Ca 0.00 -2.78 -0.54 0.00 -0.26 0.00 0.00 58.87 55.28 1kld n SER 53 Cb 0.00 -1.19 -0.07 0.00 -0.26 0.00 0.00 64.21 62.69 1kld n SER 53 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1kld n LEU 54 N 1.25 1.47 -0.13 1.04 4.77 -1.26 -4.52 117.00 119.61 1kld n LEU 54 Ca 0.29 1.12 -0.26 0.00 -0.03 0.00 0.00 56.01 57.13 1kld n LEU 54 Cb 0.63 -1.13 -0.10 0.00 -2.33 0.00 0.00 43.42 40.49 1kld n LEU 54 CO 0.21 -1.09 -1.41 0.47 -1.33 0.00 0.00 177.39 174.24 1kld n ASP 55 N 2.81 1.95 -4.94 -1.43 8.00 -1.25 -4.98 116.55 116.69 1kld n ASP 55 Ca 0.20 0.20 -0.24 0.00 0.71 0.00 0.00 54.79 55.66 1kld n ASP 55 Cb 0.16 -0.68 -0.01 0.00 -0.02 0.00 0.00 41.12 40.56 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 -2.50 5.12 -0.12 -3.53 -4.23 -1.26 -4.98 115.64 104.13 1kld s THR 56 Ca -0.37 -0.50 0.27 0.00 -1.18 0.00 0.00 61.69 59.91 1kld s THR 56 Cb 0.13 -3.86 0.33 0.00 1.34 0.00 0.00 72.50 70.44 1kld s THR 56 CO 0.51 -0.54 1.79 -0.61 -0.54 0.00 0.00 174.62 175.23 1kld h GLN 57 N 0.80 0.00 0.00 3.99 4.15 -1.97 -2.65 115.11 119.43 1kld h GLN 57 Ca -0.50 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.92 1kld h GLN 57 Cb 1.22 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.91 1kld h GLN 57 CO 0.61 0.06 0.00 0.98 -1.93 0.00 0.00 178.83 178.55 1kld n TYR 58 N -3.14 0.00 0.11 3.99 9.36 -1.26 -2.89 117.16 123.33 1kld n TYR 58 Ca 0.02 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.24 1kld n TYR 58 Cb 0.43 -0.43 -0.02 0.00 -0.63 0.00 0.00 39.34 38.69 1kld n TYR 58 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 1kld h SER 59 N 0.00 0.00 0.73 2.98 4.64 -1.77 -2.90 113.55 117.22 1kld h SER 59 Ca 0.00 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.07 1kld h SER 59 Cb 0.36 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.41 1kld h SER 59 CO 0.00 0.60 -1.38 0.07 -0.87 0.00 0.00 176.83 175.26 1kld h LYS 60 N 0.00 0.00 0.05 4.77 2.10 -1.68 -2.97 116.57 118.84 1kld h LYS 60 Ca -0.03 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.61 1kld h LYS 60 Cb 1.49 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.82 1kld h LYS 60 CO 0.07 0.69 -0.02 0.28 -2.00 0.00 0.00 179.45 178.48 1kld h VAL 61 N 0.00 0.00 -0.54 0.07 2.07 -1.62 -3.20 116.25 113.03 1kld h VAL 61 Ca -0.16 -0.14 0.16 0.00 0.82 0.00 0.00 66.70 67.37 1kld h VAL 61 Cb 1.88 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.63 1kld h VAL 61 CO 0.10 0.00 0.49 0.25 0.02 0.00 0.00 177.57 178.42 1kld h LEU 62 N -0.20 0.00 -0.49 2.57 5.85 -1.71 0.15 115.31 121.47 1kld h LEU 62 Ca -0.01 0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.78 1kld h LEU 62 Cb 0.05 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.02 1kld h LEU 62 CO 0.01 0.00 0.15 0.00 -0.34 0.00 0.00 178.44 178.26 1kld h ALA 63 N 1.53 0.58 -0.02 1.25 0.00 -1.56 -1.50 119.26 119.54 1kld h ALA 63 Ca 0.25 0.07 -0.23 0.00 0.00 0.00 0.00 54.91 55.01 1kld h ALA 63 Cb 1.22 0.06 0.01 0.00 0.00 0.00 0.00 17.79 19.08 1kld h ALA 63 CO -0.00 -0.24 -0.93 -0.07 0.00 0.00 0.00 179.25 178.01 1kld h LEU 64 N 0.32 0.62 -1.85 0.00 3.38 -0.74 -1.82 115.31 115.21 1kld h LEU 64 Ca 0.24 -0.48 0.29 0.00 0.09 0.00 0.00 57.88 58.02 1kld h LEU 64 Cb 0.26 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.77 1kld h LEU 64 CO -0.26 1.27 0.73 0.22 0.09 0.00 0.00 178.44 180.50 1kld h TYR 65 N 0.28 0.16 0.01 1.13 5.03 -0.33 0.21 116.97 123.46 1kld h TYR 65 Ca -0.08 0.01 -0.35 0.00 2.58 0.00 0.00 58.73 60.89 1kld h TYR 65 Cb 1.56 -0.05 -0.05 0.00 1.55 0.00 0.00 36.73 39.74 1kld h TYR 65 CO 0.07 0.02 -1.92 -1.71 -1.32 0.00 0.00 178.16 173.30 1kld n ASN 66 N -4.31 1.94 0.13 -2.11 5.15 -0.81 -3.52 115.26 111.72 1kld n ASN 66 Ca 0.23 0.32 0.07 0.00 -0.60 0.00 0.00 54.58 54.60 1kld n ASN 66 Cb 1.05 -0.85 0.38 0.00 -0.53 0.00 0.00 39.78 39.82 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 -4.16 0.09 -0.08 1.20 1.13 -0.69 -1.36 117.38 113.52 1kld n GLN 67 Ca -0.42 0.56 -0.21 0.00 -1.94 0.00 0.00 57.00 55.00 1kld n GLN 67 Cb 0.83 -1.94 -0.12 0.00 0.11 0.00 0.00 30.24 29.11 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 -2.00 0.60 -3.65 1.08 8.25 0.65 -4.84 115.22 115.31 1kld n HIS 68 Ca -0.01 0.15 -0.38 0.00 -0.26 0.00 0.00 57.72 57.22 1kld n HIS 68 Cb 0.16 -1.07 -0.12 0.00 1.12 0.00 0.00 29.99 30.08 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 -6.87 5.64 0.02 0.41 0.01 -0.47 -5.06 114.94 108.62 1kld s ASN 69 Ca -0.30 -0.23 -0.30 0.00 -0.71 0.00 0.00 52.86 51.32 1kld s ASN 69 Cb 0.08 -2.03 -0.04 0.00 0.41 0.00 0.00 41.25 39.67 1kld s ASN 69 CO 0.65 -0.10 1.05 -2.16 -1.51 0.00 0.00 177.10 175.04 1kld s PRO 70 N 1.68 4.52 0.00 -0.60 0.04 -1.26 -3.18 135.00 136.20 1kld s PRO 70 Ca 0.06 1.54 0.00 0.00 0.04 0.00 0.00 61.00 62.64 1kld s PRO 70 Cb -0.16 -3.42 0.00 0.00 0.04 0.00 0.00 34.50 30.96 1kld s PRO 70 CO 0.08 -0.12 0.00 0.41 0.04 0.00 0.00 177.00 177.41 1kld n GLY 71 N 3.00 0.16 3.68 0.56 0.00 -1.26 -5.04 105.19 106.29 1kld n GLY 71 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 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 3.49 -0.40 4.61 0.00 -1.19 -4.91 121.76 121.36 1kld s ALA 72 Ca 0.00 0.30 0.06 0.00 0.00 0.00 0.00 51.96 52.32 1kld s ALA 72 Cb 0.00 -3.46 0.66 0.00 0.00 0.00 0.00 23.12 20.33 1kld s ALA 72 CO 0.00 -0.73 1.83 0.43 0.00 0.00 0.00 175.76 177.29 1kld n SER 73 N 5.39 3.80 -1.72 0.00 7.64 -1.26 -4.36 113.62 123.11 1kld n SER 73 Ca 0.09 -3.55 0.08 0.00 1.01 0.00 0.00 58.87 56.51 1kld n SER 73 Cb 0.48 -0.79 0.38 0.00 -1.01 0.00 0.00 64.21 63.27 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 -0.94 3.44 -0.78 -0.43 0.00 -1.26 -4.98 120.51 115.56 1kld n ALA 74 Ca 0.52 -1.76 -0.04 0.00 0.00 0.00 0.00 53.44 52.16 1kld n ALA 74 Cb 1.53 -1.06 0.07 0.00 0.00 0.00 0.00 19.45 19.99 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 0.89 -1.30 -1.00 0.00 0.00 -1.26 -4.91 120.51 112.92 1kld n ALA 75 Ca 0.27 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1kld n ALA 75 Cb 1.03 -0.03 0.00 0.00 0.00 0.00 0.00 19.45 20.45 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 -1.86 0.71 -3.41 0.00 -0.04 -1.26 -5.01 135.00 124.12 1kld n PRO 76 Ca 0.03 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.29 1kld n PRO 76 Cb 0.15 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.51 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 0.15 -0.79 0.00 -7.23 -0.29 -4.79 120.40 106.27 1kld s VAL 79 Ca 0.60 -1.66 -0.26 0.00 -1.81 0.00 0.00 61.98 58.85 1kld s VAL 79 Cb -0.46 -1.70 0.01 0.00 0.56 0.00 0.00 36.38 34.79 1kld s VAL 79 CO 0.59 -0.66 1.58 -2.16 -0.31 0.00 0.00 175.10 174.13 1kld s PRO 80 N -3.96 3.02 0.00 4.82 0.04 -1.26 0.13 135.00 137.79 1kld s PRO 80 Ca 0.13 -0.19 -0.02 0.00 0.04 0.00 0.00 61.00 60.96 1kld s PRO 80 Cb 0.07 -4.61 -0.01 0.00 0.04 0.00 0.00 34.50 29.98 1kld s PRO 80 CO -0.05 -2.51 0.80 0.37 0.04 0.00 0.00 177.00 175.64 1kld h GLN 81 N 11.55 -0.08 -6.72 4.56 4.15 -0.53 -3.44 115.11 124.59 1kld h GLN 81 Ca -0.12 0.01 -0.50 0.00 0.77 0.00 0.00 58.65 58.81 1kld h GLN 81 Cb 1.07 0.02 0.01 0.00 0.21 0.00 0.00 27.48 28.78 1kld h GLN 81 CO 1.28 -0.06 0.00 0.00 -1.93 0.00 0.00 178.83 178.13 1kld s ALA 82 N -3.18 3.48 0.00 3.38 0.00 -0.97 -5.00 121.76 119.47 1kld s ALA 82 Ca -0.01 -0.47 0.00 0.00 0.00 0.00 0.00 51.96 51.48 1kld s ALA 82 Cb 0.00 -2.48 0.00 0.00 0.00 0.00 0.00 23.12 20.64 1kld s ALA 82 CO 0.04 -0.02 0.00 1.28 0.00 0.00 0.00 175.76 177.06 1kld n LEU 83 N -1.48 0.00 -3.76 0.00 4.77 -1.26 -2.28 117.00 112.99 1kld n LEU 83 Ca -0.00 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.87 1kld n LEU 83 Cb 0.54 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.56 1kld n LEU 83 CO 0.49 0.00 0.02 -1.61 -1.33 0.00 0.00 177.39 174.96 1kld s GLU 84 N -1.46 0.84 0.00 3.23 2.02 -0.58 -4.60 118.70 118.15 1kld s GLU 84 Ca 0.00 -0.60 0.00 0.00 0.02 0.00 0.00 54.97 54.39 1kld s GLU 84 Cb 0.00 0.36 0.00 0.00 0.10 0.00 0.00 34.13 34.59 1kld s GLU 84 CO 0.00 -0.27 0.00 -0.35 0.02 0.00 0.00 175.26 174.66 1kld n PRO 85 N 0.41 0.66 -3.15 0.39 -0.04 -1.26 0.84 135.00 132.85 1kld n PRO 85 Ca -0.18 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.33 1kld n PRO 85 Cb 0.60 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 34.05 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 -1.07 -0.50 1.53 2.96 0.15 -4.31 118.68 117.45 1kld s LEU 86 Ca 0.00 0.62 -0.28 0.00 -0.22 0.00 0.00 54.13 54.25 1kld s LEU 86 Cb 0.00 1.88 0.01 0.00 0.50 0.00 0.00 46.19 48.58 1kld s LEU 86 CO 0.00 -0.20 1.48 -2.16 -1.32 0.00 0.00 176.35 174.15 1kld s PRO 87 N 2.89 3.34 0.00 0.98 0.04 -1.26 0.20 135.00 141.19 1kld s PRO 87 Ca 0.13 0.70 0.00 0.00 0.04 0.00 0.00 61.00 61.87 1kld s PRO 87 Cb -0.13 -4.12 0.00 0.00 0.04 0.00 0.00 34.50 30.29 1kld s PRO 87 CO -0.18 -1.88 0.00 0.44 0.04 0.00 0.00 177.00 175.42 1kld n ILE 88 N 7.00 0.00 -3.22 0.56 -5.35 -0.75 -4.31 119.36 113.29 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 0.49 -0.18 -0.02 0.00 -1.74 0.00 0.00 39.64 38.19 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 0.83 -0.80 0.05 7.28 1.01 0.11 -2.72 120.40 126.16 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 0.11 -4.50 5.22 4.11 -0.11 -1.26 117.16 126.14 1kld n TYR 90 Ca -0.04 -0.25 -0.22 0.00 -0.00 0.00 0.00 57.90 57.38 1kld n TYR 90 Cb 0.52 -0.03 -0.16 0.00 -0.00 0.00 0.00 39.34 39.66 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 -1.22 1.20 -0.61 -3.48 1.51 -1.26 -1.39 117.35 112.11 1kld s TYR 91 Ca 0.00 -0.36 -0.06 0.00 -1.01 0.00 0.00 57.07 55.64 1kld s TYR 91 Cb 0.00 -0.87 0.16 0.00 -0.11 0.00 0.00 41.96 41.14 1kld s TYR 91 CO 0.00 -0.17 0.46 0.08 -1.11 0.00 0.00 175.55 174.81 1kld s VAL 92 N 0.35 4.12 0.00 0.71 1.01 -0.69 -4.85 120.40 121.06 1kld s VAL 92 Ca -0.07 -2.54 0.00 0.00 0.00 0.00 0.00 61.98 59.37 1kld s VAL 92 Cb -0.12 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.59 1kld s VAL 92 CO 0.02 -0.87 0.00 0.61 0.00 0.00 0.00 175.10 174.86 1kld n GLY 93 N 3.98 2.18 0.00 4.51 0.00 -1.26 -2.95 105.19 111.65 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 -3.83 1.61 1.74 -1.26 -5.08 116.66 109.83 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 -0.07 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 3.85 0.35 5.56 1.02 -1.15 -5.07 119.74 124.29 1kld s LYS 95 Ca 0.00 -0.20 -0.26 0.00 0.02 0.00 0.00 55.97 55.53 1kld s LYS 95 Cb 0.00 -3.29 -0.10 0.00 -0.52 0.00 0.00 37.83 33.92 1kld s LYS 95 CO 0.00 0.49 1.00 -1.25 -0.92 0.00 0.00 175.35 174.67 1kld s PRO 96 N -0.20 4.44 -0.03 -1.68 0.04 -1.26 -1.70 135.00 134.60 1kld s PRO 96 Ca 0.10 1.44 -0.05 0.00 0.04 0.00 0.00 61.00 62.53 1kld s PRO 96 Cb -0.12 -2.74 0.01 0.00 0.04 0.00 0.00 34.50 31.69 1kld s PRO 96 CO 0.01 0.12 0.12 0.15 0.04 0.00 0.00 177.00 177.44 1kld s LYS 97 N -2.16 0.24 -0.13 4.56 1.02 -0.48 -4.94 119.74 117.85 1kld s LYS 97 Ca 0.52 -0.02 0.02 0.00 0.02 0.00 0.00 55.97 56.51 1kld s LYS 97 Cb -0.21 0.11 -0.00 0.00 -0.52 0.00 0.00 37.83 37.20 1kld s LYS 97 CO 0.27 -0.04 -0.19 0.08 -0.92 0.00 0.00 175.35 174.54 1kld s VAL 98 N -0.40 2.45 0.00 3.17 1.01 -1.26 -0.93 120.40 124.44 1kld s VAL 98 Ca -0.05 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.07 1kld s VAL 98 Cb -0.03 -1.99 0.00 0.00 0.00 0.00 0.00 36.38 34.36 1kld s VAL 98 CO 0.00 0.54 0.00 1.21 0.00 0.00 0.00 175.10 176.85 1kld n GLU 99 N 3.71 2.09 -3.17 2.72 2.13 -1.10 -4.95 120.64 122.07 1kld n GLU 99 Ca -0.19 0.00 -0.17 0.00 0.66 0.00 0.00 57.16 57.46 1kld n GLU 99 Cb 0.52 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 0.96 0.91 0.45 5.31 1.11 -1.25 -1.82 119.66 125.34 1kld s GLN 100 Ca 0.00 -1.50 -0.21 0.00 0.01 0.00 0.00 55.36 53.66 1kld s GLN 100 Cb 0.00 -0.80 -0.13 0.00 -1.01 0.00 0.00 33.01 31.07 1kld s GLN 100 CO 0.00 -1.33 0.36 1.28 0.01 0.00 0.00 175.29 175.61 1kld n LEU 101 N 3.15 -0.98 -4.85 2.90 4.77 0.13 -4.22 117.00 117.90 1kld n LEU 101 Ca 0.22 0.83 -0.36 0.00 -0.03 0.00 0.00 56.01 56.67 1kld n LEU 101 Cb 0.50 -1.04 -0.06 0.00 -2.33 0.00 0.00 43.42 40.49 1kld n LEU 101 CO 0.05 -3.43 -0.19 -0.44 -1.33 0.00 0.00 177.39 172.04 1kld s SER 102 N -1.00 6.20 -1.54 -1.43 0.01 -1.26 0.34 113.70 115.01 1kld s SER 102 Ca 0.62 0.40 -0.01 0.00 1.31 0.00 0.00 55.95 58.27 1kld s SER 102 Cb -0.58 -1.96 0.00 0.00 0.21 0.00 0.00 66.02 63.70 1kld s SER 102 CO 0.59 0.38 0.13 0.59 0.41 0.00 0.00 173.24 175.35 1kld n ASN 103 N 1.83 -5.36 -1.51 2.44 4.13 -1.03 -4.82 115.26 110.94 1kld n ASN 103 Ca -0.18 -0.03 0.02 0.00 1.68 0.00 0.00 54.58 56.06 1kld n ASN 103 Cb 0.54 -4.45 0.25 0.00 -1.54 0.00 0.00 39.78 34.59 1kld n ASN 103 CO 0.00 0.00 0.00 0.80 0.28 0.00 0.00 177.26 178.34 1kld n MET 104 N -3.18 3.39 -3.83 3.52 1.56 0.25 -4.69 117.12 114.14 1kld n MET 104 Ca -0.19 -2.13 -0.09 0.00 -0.27 0.00 0.00 57.70 55.02 1kld n MET 104 Cb 0.65 -1.99 -0.04 0.00 2.15 0.00 0.00 33.22 33.99 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 -2.21 0.02 0.01 1.12 1.01 -0.09 -4.66 121.20 116.40 1kld s ILE 105 Ca 0.37 -0.98 0.06 0.00 0.00 0.00 0.00 60.65 60.11 1kld s ILE 105 Cb 0.29 -1.81 -0.03 0.00 0.01 0.00 0.00 42.46 40.92 1kld s ILE 105 CO 0.10 -0.07 -0.19 -0.69 0.00 0.00 0.00 174.94 174.10 1kld s VAL 106 N -3.92 2.72 0.00 2.92 1.01 -1.07 -1.53 120.40 120.54 1kld s VAL 106 Ca 0.13 -1.08 0.00 0.00 0.00 0.00 0.00 61.98 61.03 1kld s VAL 106 Cb -0.02 -2.10 0.00 0.00 0.00 0.00 0.00 36.38 34.26 1kld s VAL 106 CO 0.02 0.43 0.61 -1.14 0.00 0.00 0.00 175.10 175.02 1kld n ARG 107 N 1.86 0.85 0.00 2.72 0.63 -0.97 -4.80 116.66 116.95 1kld n ARG 107 Ca -0.16 -0.76 0.00 0.00 -0.92 0.00 0.00 57.85 56.01 1kld n ARG 107 Cb 0.52 -0.66 0.00 0.00 0.45 0.00 0.00 32.46 32.77 1kld n ARG 107 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 1kld n SER 108 N -0.15 0.00 -1.50 6.15 3.41 -1.25 -4.39 113.62 115.89 1kld n SER 108 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1kld n SER 108 Cb 0.39 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.34 1kld n SER 108 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1kld n LYS 110 N -0.57 0.00 -3.63 0.00 2.85 0.35 -4.33 118.16 112.83 1kld n LYS 110 Ca 0.00 0.00 -0.29 0.00 -1.05 0.00 0.00 58.31 56.97 1kld n LYS 110 Cb 0.00 0.00 -0.12 0.00 -0.65 0.00 0.00 35.03 34.26 1kld n LYS 110 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35