#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 4.34 -4.99 0.00 4.77 -1.26 -4.79 117.00 115.08 1kld n LEU 2 Ca 0.00 -5.07 -0.21 0.00 -0.03 0.00 0.00 56.01 50.71 1kld n LEU 2 Cb 0.00 -0.36 0.03 0.00 -2.33 0.00 0.00 43.42 40.76 1kld n LEU 2 CO 0.00 2.17 0.22 1.51 -1.33 0.00 0.00 177.39 179.96 1kld s ASP 3 N -3.49 5.09 0.00 -1.43 -4.77 -1.26 -2.91 116.67 107.91 1kld s ASP 3 Ca 0.46 -0.85 0.16 0.00 -3.30 0.00 0.00 52.55 49.02 1kld s ASP 3 Cb 0.40 0.07 0.97 0.00 -1.09 0.00 0.00 42.92 43.27 1kld s ASP 3 CO -0.16 -1.12 1.56 0.35 0.70 0.00 0.00 175.17 176.49 1kld n THR 4 N -2.01 0.00 -0.12 2.11 -2.24 -1.26 -2.11 114.28 108.66 1kld n THR 4 Ca 0.10 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.73 1kld n THR 4 Cb 0.62 -0.32 -0.13 0.00 -2.10 0.00 0.00 70.33 68.39 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 -0.78 1.35 0.09 3.42 3.02 -1.26 -4.21 115.26 116.89 1kld n ASN 5 Ca 0.12 -0.09 0.06 0.00 -0.03 0.00 0.00 54.58 54.65 1kld n ASN 5 Cb 0.06 0.11 -0.02 0.00 -0.61 0.00 0.00 39.78 39.32 1kld n ASN 5 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1kld h TYR 6 N 0.00 0.00 0.00 3.10 3.20 -1.88 -3.29 116.97 118.10 1kld h TYR 6 Ca -0.55 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.32 1kld h TYR 6 Cb 2.00 0.00 0.00 0.00 1.54 0.00 0.00 36.73 40.27 1kld h TYR 6 CO 0.02 0.28 0.00 0.00 -1.64 0.00 0.00 178.16 176.82 1kld n PHE 8 N -2.14 0.00 0.00 0.00 3.01 -1.24 -4.68 117.46 112.41 1kld n PHE 8 Ca 0.05 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.51 1kld n PHE 8 Cb 0.35 -0.17 0.00 0.00 -0.01 0.00 0.00 39.48 39.65 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 -1.17 0.00 0.00 4.37 2.88 -1.12 -5.02 113.62 113.56 1kld n SER 9 Ca 0.10 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.64 1kld n SER 9 Cb 0.10 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.56 1kld n SER 9 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1kld n SER 10 N 0.00 0.00 -1.69 -3.46 7.64 -1.26 -5.10 113.62 109.75 1kld n SER 10 Ca 0.00 -1.00 0.00 0.00 1.01 0.00 0.00 58.87 58.88 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 0.00 0.00 -0.20 0.44 -2.24 -1.26 -5.06 114.28 105.96 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 0.42 -0.48 0.00 0.00 -2.10 0.00 0.00 70.33 68.17 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 -0.40 -0.58 -0.00 -0.78 4.07 -1.26 -4.99 120.64 116.69 1kld n GLU 12 Ca 0.00 0.43 -0.00 0.00 -0.06 0.00 0.00 57.16 57.52 1kld n GLU 12 Cb 0.00 -0.48 -0.01 0.00 -0.06 0.00 0.00 31.44 30.90 1kld n GLU 12 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1kld n LYS 13 N -0.87 3.47 0.00 5.31 5.02 -1.26 -5.04 118.16 124.79 1kld n LYS 13 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1kld n LYS 13 Cb 0.00 -1.02 0.00 0.00 -0.02 0.00 0.00 35.03 33.99 1kld n LYS 13 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1kld n ASN 14 N -2.08 0.00 -4.68 4.39 5.03 -1.26 -4.72 115.26 111.94 1kld n ASN 14 Ca -0.01 0.00 -0.32 0.00 0.87 0.00 0.00 54.58 55.12 1kld n ASN 14 Cb 0.52 0.00 0.15 0.00 -1.02 0.00 0.00 39.78 39.44 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 5.19 0.65 -3.98 0.00 3.14 -1.26 -3.36 118.33 118.71 1kld n VAL 17 Ca -0.07 -0.20 -0.26 0.00 -2.96 0.00 0.00 64.34 60.85 1kld n VAL 17 Cb 0.54 -2.29 -0.03 0.00 -1.06 0.00 0.00 33.84 31.00 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 4.84 3.32 0.37 1.45 0.52 0.15 -4.64 118.95 124.95 1kld s ARG 18 Ca 0.93 -0.68 -0.27 0.00 -0.52 0.00 0.00 55.73 55.18 1kld s ARG 18 Cb -0.47 -2.88 -0.11 0.00 0.52 0.00 0.00 34.95 32.01 1kld s ARG 18 CO 0.42 0.50 1.35 0.00 0.02 0.00 0.00 175.30 177.59 1kld n GLN 19 N -0.59 2.25 -2.69 3.54 -0.00 -1.26 -2.96 117.38 115.67 1kld n GLN 19 Ca -0.07 0.79 -0.07 0.00 -0.00 0.00 0.00 57.00 57.65 1kld n GLN 19 Cb 0.54 -2.44 0.10 0.00 -0.00 0.00 0.00 30.24 28.44 1kld n GLN 19 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 1kld n LEU 20 N 0.54 -1.13 -4.58 2.61 7.94 -1.26 -4.81 117.00 116.31 1kld n LEU 20 Ca 0.04 -3.49 -0.50 0.00 -1.11 0.00 0.00 56.01 50.95 1kld n LEU 20 Cb 0.38 0.12 -0.05 0.00 0.53 0.00 0.00 43.42 44.40 1kld n LEU 20 CO 0.62 1.80 0.76 0.00 -1.11 0.00 0.00 177.39 179.46 1kld n TYR 21 N -0.55 1.32 -4.07 1.96 4.19 -1.26 -3.03 117.16 115.72 1kld n TYR 21 Ca -0.01 0.68 -0.32 0.00 3.31 0.00 0.00 57.90 61.56 1kld n TYR 21 Cb 0.84 -2.29 -0.16 0.00 0.49 0.00 0.00 39.34 38.23 1kld n TYR 21 CO 0.00 0.00 0.00 0.42 0.91 0.00 0.00 176.86 178.19 1kld s ILE 22 N -0.01 1.92 -0.04 2.97 1.01 -0.63 -4.85 121.20 121.58 1kld s ILE 22 Ca 0.77 -1.03 -0.26 0.00 0.00 0.00 0.00 60.65 60.12 1kld s ILE 22 Cb -0.89 -1.85 -0.03 0.00 0.01 0.00 0.00 42.46 39.70 1kld s ILE 22 CO 0.51 0.35 0.82 -0.62 0.00 0.00 0.00 174.94 176.00 1kld s ASP 23 N 1.31 7.15 0.12 3.58 -1.08 -1.26 -2.12 116.67 124.36 1kld s ASP 23 Ca 0.01 1.38 -0.32 0.00 -0.52 0.00 0.00 52.55 53.10 1kld s ASP 23 Cb -0.15 -2.48 -0.12 0.00 -1.46 0.00 0.00 42.92 38.72 1kld s ASP 23 CO -0.10 -0.17 1.53 -0.26 0.52 0.00 0.00 175.17 176.68 1kld h PHE 24 N 6.77 -1.60 0.00 -5.34 0.04 -1.20 -0.45 116.94 115.16 1kld h PHE 24 Ca -0.41 0.07 -0.18 0.00 2.80 0.00 0.00 57.97 60.25 1kld h PHE 24 Cb 1.21 0.73 -0.03 0.00 2.20 0.00 0.00 35.95 40.06 1kld h PHE 24 CO 0.66 -0.50 -1.41 -0.09 -0.60 0.00 0.00 178.31 176.36 1kld h ARG 25 N -0.48 0.00 -0.01 1.51 2.43 -1.77 0.61 114.38 116.67 1kld h ARG 25 Ca 0.05 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.10 1kld h ARG 25 Cb 0.62 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.18 1kld h ARG 25 CO -0.49 0.33 -0.47 -0.22 -1.51 0.00 0.00 179.97 177.61 1kld h LYS 26 N 0.00 0.33 0.00 0.20 1.63 -1.85 -2.37 116.57 114.51 1kld h LYS 26 Ca -0.17 -0.35 -0.00 0.00 -0.85 0.00 0.00 60.65 59.28 1kld h LYS 26 Cb 1.64 0.10 -0.00 0.00 -0.60 0.00 0.00 32.23 33.36 1kld h LYS 26 CO 0.05 1.03 -0.46 -0.44 -3.45 0.00 0.00 179.45 176.18 1kld h ASP 27 N -0.23 0.00 0.82 4.20 3.32 -1.27 -3.40 116.42 119.86 1kld h ASP 27 Ca -0.06 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.99 1kld h ASP 27 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 1kld h ASP 27 CO 0.09 0.73 -0.64 0.18 -1.72 0.00 0.00 179.24 177.88 1kld n LEU 28 N -4.63 0.68 -0.63 1.55 4.77 -1.04 -4.91 117.00 112.78 1kld n LEU 28 Ca -0.07 0.20 -0.08 0.00 -0.03 0.00 0.00 56.01 56.03 1kld n LEU 28 Cb 0.24 -0.18 -0.04 0.00 -2.33 0.00 0.00 43.42 41.11 1kld n LEU 28 CO 0.10 -0.04 -0.08 0.61 -1.33 0.00 0.00 177.39 176.65 1kld n GLY 29 N 1.35 0.82 3.53 -0.72 0.00 0.19 -4.85 105.19 105.51 1kld n GLY 29 Ca 0.03 -0.04 -0.53 0.00 0.00 0.00 0.00 46.02 45.48 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 0.90 0.26 1.61 7.02 0.19 -4.76 117.44 120.42 1kld n TRP 30 Ca -0.08 0.83 0.03 0.00 -1.02 0.00 0.00 57.50 57.26 1kld n TRP 30 Cb 0.53 -2.19 -0.04 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 1.74 4.16 0.00 -0.99 5.02 -1.26 -4.42 118.16 122.41 1kld n LYS 31 Ca 0.18 -0.01 0.15 0.00 -2.02 0.00 0.00 58.31 56.60 1kld n LYS 31 Cb 0.18 -0.86 0.69 0.00 -0.02 0.00 0.00 35.03 35.02 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 -4.88 2.13 4.27 -1.26 -4.75 117.44 111.70 1kld n TRP 32 Ca 0.01 0.00 -0.28 0.00 -3.89 0.00 0.00 57.50 53.34 1kld n TRP 32 Cb 0.11 -0.08 -0.17 0.00 -1.36 0.00 0.00 31.31 29.82 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 -2.20 1.56 -0.21 -1.67 1.01 -1.26 -4.16 121.20 114.27 1kld s ILE 33 Ca 0.37 -0.73 -0.12 0.00 0.00 0.00 0.00 60.65 60.17 1kld s ILE 33 Cb 0.21 -1.37 -0.19 0.00 0.01 0.00 0.00 42.46 41.12 1kld s ILE 33 CO 0.40 0.45 0.03 1.57 0.00 0.00 0.00 174.94 177.39 1kld n HIS 34 N 3.63 0.65 -4.12 3.97 -0.00 -0.33 -4.97 115.22 114.05 1kld n HIS 34 Ca -0.21 0.21 -0.13 0.00 -0.00 0.00 0.00 57.72 57.59 1kld n HIS 34 Cb 0.52 -1.07 -0.11 0.00 -0.00 0.00 0.00 29.99 29.33 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 0.69 1.04 1.57 2.02 -1.04 -4.40 118.70 116.09 1kld s GLU 35 Ca -0.31 -1.01 -0.17 0.00 0.02 0.00 0.00 54.97 53.50 1kld s GLU 35 Cb 0.09 -0.33 0.23 0.00 0.10 0.00 0.00 34.13 34.22 1kld s GLU 35 CO 0.61 0.04 1.28 -1.25 0.02 0.00 0.00 175.26 175.97 1kld s PRO 36 N -2.46 0.06 0.29 0.39 0.04 -1.26 -0.48 135.00 131.58 1kld s PRO 36 Ca -0.01 -0.38 0.01 0.00 0.04 0.00 0.00 61.00 60.66 1kld s PRO 36 Cb -0.04 -1.78 0.44 0.00 0.04 0.00 0.00 34.50 33.17 1kld s PRO 36 CO -0.01 -2.81 1.80 0.87 0.04 0.00 0.00 177.00 176.89 1kld h LYS 37 N -1.93 0.66 0.00 4.56 6.56 -1.98 -3.44 116.57 121.00 1kld h LYS 37 Ca -0.44 -0.17 0.00 0.00 -1.06 0.00 0.00 60.65 58.98 1kld h LYS 37 Cb 1.24 -0.08 0.00 0.00 -0.57 0.00 0.00 32.23 32.82 1kld h LYS 37 CO 0.34 0.69 0.00 0.41 -2.06 0.00 0.00 179.45 178.84 1kld n GLY 38 N -0.71 1.81 3.64 3.86 0.00 -1.26 -0.68 105.19 111.85 1kld n GLY 38 Ca 0.02 -0.84 -0.03 0.00 0.00 0.00 0.00 46.02 45.17 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 -4.95 -0.15 -1.02 1.61 1.13 -0.90 -4.85 117.35 108.23 1kld s TYR 39 Ca 0.00 -0.03 -0.20 0.00 -1.41 0.00 0.00 57.07 55.43 1kld s TYR 39 Cb 0.00 0.57 0.09 0.00 -1.10 0.00 0.00 41.96 41.52 1kld s TYR 39 CO 0.00 -0.52 1.34 -1.01 -2.51 0.00 0.00 175.55 172.86 1kld s HIS 40 N -2.87 2.83 0.18 -3.49 3.76 -1.26 -1.60 115.29 112.84 1kld s HIS 40 Ca 0.11 -1.19 0.01 0.00 -0.15 0.00 0.00 55.06 53.84 1kld s HIS 40 Cb 0.01 -4.52 0.06 0.00 1.11 0.00 0.00 32.58 29.24 1kld s HIS 40 CO -0.03 -1.72 1.43 0.00 -0.85 0.00 0.00 174.74 173.56 1kld h ALA 41 N 9.11 0.60 -2.96 -1.40 0.00 -1.87 -3.38 119.26 119.35 1kld h ALA 41 Ca 0.21 -0.65 0.36 0.00 0.00 0.00 0.00 54.91 54.83 1kld h ALA 41 Cb 1.00 -0.07 -0.09 0.00 0.00 0.00 0.00 17.79 18.63 1kld h ALA 41 CO 1.30 0.82 -0.51 0.09 0.00 0.00 0.00 179.25 180.95 1kld n ASN 42 N -3.77 -7.86 -3.75 0.00 5.03 -1.17 -2.72 115.26 101.01 1kld n ASN 42 Ca -0.04 0.56 0.04 0.00 0.87 0.00 0.00 54.58 56.00 1kld n ASN 42 Cb 0.74 -4.08 0.00 0.00 -1.02 0.00 0.00 39.78 35.42 1kld n ASN 42 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.26 176.15 1kld s PHE 43 N -2.21 -0.00 0.11 3.10 -0.71 -1.15 -4.71 117.98 112.40 1kld s PHE 43 Ca 0.00 -0.04 0.08 0.00 -1.04 0.00 0.00 56.93 55.93 1kld s PHE 43 Cb 0.00 0.52 -0.04 0.00 -1.21 0.00 0.00 43.02 42.30 1kld s PHE 43 CO 0.00 -0.11 -0.21 0.00 -1.34 0.00 0.00 175.22 173.56 1kld s LEU 45 N -1.96 1.76 0.00 0.00 1.43 -1.21 -4.91 118.68 113.79 1kld s LEU 45 Ca 0.07 -0.32 0.00 0.00 -1.03 0.00 0.00 54.13 52.85 1kld s LEU 45 Cb -0.10 0.52 0.00 0.00 0.03 0.00 0.00 46.19 46.64 1kld s LEU 45 CO 0.04 -0.37 0.00 0.61 0.23 0.00 0.00 176.35 176.87 1kld n GLY 46 N 1.40 2.27 1.06 -3.19 0.00 -1.26 -2.27 105.19 103.21 1kld n GLY 46 Ca -0.23 -1.96 -0.08 0.00 0.00 0.00 0.00 46.02 43.75 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 1.14 -0.51 -3.64 1.61 -0.04 -1.26 -4.22 135.00 128.07 1kld n PRO 47 Ca 0.00 -0.56 -0.15 0.00 -0.04 0.00 0.00 63.50 62.75 1kld n PRO 47 Cb 0.00 -0.39 -0.14 0.00 -0.04 0.00 0.00 33.50 32.93 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 5.34 1.51 -0.93 0.00 -0.04 -1.26 -4.67 135.00 134.94 1kld n PRO 49 Ca -0.05 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.43 1kld n PRO 49 Cb 0.50 0.00 0.37 0.00 -0.04 0.00 0.00 33.50 34.33 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 -0.10 2.18 -1.86 0.54 4.11 -1.26 -4.27 117.16 116.50 1kld n TYR 50 Ca 0.00 -0.90 0.00 0.00 -0.00 0.00 0.00 57.90 57.00 1kld n TYR 50 Cb 0.00 -0.57 0.00 0.00 -0.00 0.00 0.00 39.34 38.77 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 0.31 0.00 -3.52 -3.48 -5.35 -1.26 -4.98 119.36 101.08 1kld n ILE 51 Ca 0.32 0.00 -0.36 0.00 -0.27 0.00 0.00 62.75 62.44 1kld n ILE 51 Cb 1.26 0.32 -0.06 0.00 -1.74 0.00 0.00 39.64 39.42 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 0.00 3.91 -3.02 4.28 -0.00 -1.26 -4.87 117.44 116.48 1kld n TRP 52 Ca 0.00 -3.94 -0.12 0.00 -0.00 0.00 0.00 57.50 53.44 1kld n TRP 52 Cb 0.57 -1.08 0.01 0.00 -0.00 0.00 0.00 31.31 30.82 1kld n TRP 52 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 177.69 178.14 1kld n SER 53 N 1.97 -7.21 -4.71 5.87 2.88 -1.26 -4.64 113.62 106.51 1kld n SER 53 Ca 0.24 0.58 -0.35 0.00 -1.33 0.00 0.00 58.87 58.00 1kld n SER 53 Cb 0.37 -3.96 -0.08 0.00 -0.75 0.00 0.00 64.21 59.78 1kld n SER 53 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1kld s LEU 54 N -2.10 4.09 -0.20 2.46 1.43 -1.26 -2.42 118.68 120.67 1kld s LEU 54 Ca 0.18 0.21 -0.17 0.00 -1.03 0.00 0.00 54.13 53.32 1kld s LEU 54 Cb -0.04 -2.04 -0.07 0.00 0.03 0.00 0.00 46.19 44.07 1kld s LEU 54 CO 0.69 0.21 -0.35 -0.67 0.23 0.00 0.00 176.35 176.46 1kld n ASP 55 N 3.32 1.93 -4.96 2.29 -0.08 -1.24 -4.86 116.55 112.95 1kld n ASP 55 Ca -0.17 0.33 -0.22 0.00 -1.51 0.00 0.00 54.79 53.22 1kld n ASP 55 Cb 0.52 -0.76 0.01 0.00 2.34 0.00 0.00 41.12 43.24 1kld n ASP 55 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 1kld s THR 56 N -2.80 4.08 0.17 5.18 -4.23 -1.25 -5.00 115.64 111.78 1kld s THR 56 Ca -0.31 -0.59 -0.07 0.00 -1.18 0.00 0.00 61.69 59.54 1kld s THR 56 Cb 0.07 -3.49 -0.06 0.00 1.34 0.00 0.00 72.50 70.36 1kld s THR 56 CO 0.44 -0.31 1.47 1.56 -0.54 0.00 0.00 174.62 177.24 1kld h GLN 57 N 0.51 0.71 0.00 3.99 1.08 -1.95 -2.44 115.11 117.01 1kld h GLN 57 Ca -0.46 -0.44 0.00 0.00 -1.45 0.00 0.00 58.65 56.30 1kld h GLN 57 Cb 1.25 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 28.73 1kld h GLN 57 CO 0.57 1.06 0.00 -0.92 -0.95 0.00 0.00 178.83 178.58 1kld h TYR 58 N 0.55 0.00 -0.06 2.96 3.20 -1.95 -0.55 116.97 121.13 1kld h TYR 58 Ca 0.02 0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.77 1kld h TYR 58 Cb 1.09 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.35 1kld h TYR 58 CO 0.06 0.00 -0.49 0.66 -1.64 0.00 0.00 178.16 176.74 1kld h SER 59 N 0.00 0.18 0.34 -2.11 4.64 -1.67 -1.65 113.55 113.28 1kld h SER 59 Ca 0.00 -0.08 -0.32 0.00 -0.47 0.00 0.00 61.79 60.91 1kld h SER 59 Cb 0.09 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.11 1kld h SER 59 CO 0.00 0.64 -1.73 0.50 -0.87 0.00 0.00 176.83 175.37 1kld h LYS 60 N 0.13 0.21 0.53 4.77 3.64 -1.22 -3.00 116.57 121.63 1kld h LYS 60 Ca 0.00 -0.36 -0.03 0.00 -1.27 0.00 0.00 60.65 59.00 1kld h LYS 60 Cb 0.92 0.13 0.01 0.00 -0.41 0.00 0.00 32.23 32.88 1kld h LYS 60 CO 0.07 1.02 -0.26 0.28 -2.27 0.00 0.00 179.45 178.30 1kld h VAL 61 N 0.06 0.37 0.00 2.00 2.07 -1.36 -2.81 116.25 116.58 1kld h VAL 61 Ca -0.31 -0.34 -0.02 0.00 0.82 0.00 0.00 66.70 66.84 1kld h VAL 61 Cb 2.03 0.49 -0.00 0.00 -1.52 0.00 0.00 31.29 32.28 1kld h VAL 61 CO 0.12 0.05 -0.12 0.25 0.02 0.00 0.00 177.57 177.89 1kld h LEU 62 N -0.96 0.00 0.13 2.57 5.85 -1.48 -0.94 115.31 120.48 1kld h LEU 62 Ca -0.07 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 1kld h LEU 62 Cb 0.62 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.65 1kld h LEU 62 CO 0.12 0.12 -0.09 0.00 -0.34 0.00 0.00 178.44 178.25 1kld h ALA 63 N 1.88 -0.93 -0.08 1.25 0.00 -1.35 -2.15 119.26 117.88 1kld h ALA 63 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1kld h ALA 63 Cb 0.25 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1kld h ALA 63 CO 0.02 -0.93 0.05 -0.07 0.00 0.00 0.00 179.25 178.32 1kld h LEU 64 N -0.22 0.09 -1.38 0.00 3.38 -1.45 -0.75 115.31 114.99 1kld h LEU 64 Ca -0.02 -0.00 0.23 0.00 0.09 0.00 0.00 57.88 58.18 1kld h LEU 64 Cb 0.18 -0.02 -0.08 0.00 0.09 0.00 0.00 40.66 40.82 1kld h LEU 64 CO 0.01 0.07 0.64 0.22 0.09 0.00 0.00 178.44 179.47 1kld h TYR 65 N 0.11 0.66 0.01 1.13 3.20 -0.66 0.26 116.97 121.68 1kld h TYR 65 Ca 0.03 0.02 -0.22 0.00 3.14 0.00 0.00 58.73 61.70 1kld h TYR 65 Cb -0.01 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 38.03 1kld h TYR 65 CO 0.00 0.12 -1.21 -0.97 -1.64 0.00 0.00 178.16 174.45 1kld h ASN 66 N 0.44 0.02 0.00 -2.11 -1.24 -0.54 -3.13 115.58 109.02 1kld h ASN 66 Ca 0.54 -0.55 0.00 0.00 0.71 0.00 0.00 56.30 57.00 1kld h ASN 66 Cb 1.30 -0.01 0.00 0.00 0.73 0.00 0.00 38.32 40.35 1kld h ASN 66 CO -0.25 1.48 0.24 1.56 -1.29 0.00 0.00 177.43 179.17 1kld h GLN 67 N -0.96 0.00 0.06 6.67 1.08 -0.73 0.52 115.11 121.76 1kld h GLN 67 Ca -0.33 0.00 -0.37 0.00 -1.45 0.00 0.00 58.65 56.50 1kld h GLN 67 Cb 1.32 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.70 1kld h GLN 67 CO -0.19 0.00 -2.21 0.72 -0.95 0.00 0.00 178.83 176.20 1kld n HIS 68 N -2.21 0.63 -3.24 2.96 8.25 0.85 -4.80 115.22 117.68 1kld n HIS 68 Ca -0.01 0.14 -0.43 0.00 -0.26 0.00 0.00 57.72 57.16 1kld n HIS 68 Cb 0.27 -1.09 -0.08 0.00 1.12 0.00 0.00 29.99 30.22 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 -6.69 6.25 -0.77 0.41 -0.87 0.18 -5.00 114.94 108.44 1kld s ASN 69 Ca -0.26 -0.50 -0.26 0.00 -1.57 0.00 0.00 52.86 50.26 1kld s ASN 69 Cb 0.08 -2.26 0.02 0.00 -0.02 0.00 0.00 41.25 39.06 1kld s ASN 69 CO 0.70 -0.65 1.47 -2.16 -2.57 0.00 0.00 177.10 173.90 1kld s PRO 70 N 2.41 3.10 0.00 -0.60 0.04 -1.26 -3.22 135.00 135.47 1kld s PRO 70 Ca 0.16 -0.22 0.00 0.00 0.04 0.00 0.00 61.00 60.99 1kld s PRO 70 Cb -0.16 -4.48 0.00 0.00 0.04 0.00 0.00 34.50 29.90 1kld s PRO 70 CO 0.16 -2.36 0.00 0.41 0.04 0.00 0.00 177.00 175.24 1kld n GLY 71 N 5.80 1.97 3.33 0.56 0.00 -1.26 -5.12 105.19 110.47 1kld n GLY 71 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 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 2.65 -0.30 4.61 0.00 -1.20 -4.98 121.76 120.57 1kld s ALA 72 Ca 0.00 -1.00 0.02 0.00 0.00 0.00 0.00 51.96 50.97 1kld s ALA 72 Cb 0.00 -1.36 0.39 0.00 0.00 0.00 0.00 23.12 22.14 1kld s ALA 72 CO 0.00 -0.02 1.65 0.45 0.00 0.00 0.00 175.76 177.85 1kld n SER 73 N 4.02 4.11 -3.19 0.00 2.88 -1.26 -4.53 113.62 115.64 1kld n SER 73 Ca -0.18 -3.04 -0.35 0.00 -1.33 0.00 0.00 58.87 53.96 1kld n SER 73 Cb 0.52 -0.77 0.00 0.00 -0.75 0.00 0.00 64.21 63.21 1kld n SER 73 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1kld n ALA 74 N -0.42 5.62 -2.48 -1.46 0.00 -1.26 -5.02 120.51 115.49 1kld n ALA 74 Ca 0.37 -4.53 -0.22 0.00 0.00 0.00 0.00 53.44 49.06 1kld n ALA 74 Cb 1.11 -1.54 0.13 0.00 0.00 0.00 0.00 19.45 19.15 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 -0.24 -0.09 -1.00 0.00 0.00 -1.26 -4.61 120.51 113.31 1kld n ALA 75 Ca 0.42 -1.85 0.00 0.00 0.00 0.00 0.00 53.44 52.01 1kld n ALA 75 Cb 0.34 0.25 0.00 0.00 0.00 0.00 0.00 19.45 20.03 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 -2.93 0.23 -3.43 0.00 -0.04 -1.26 -5.01 135.00 122.55 1kld n PRO 76 Ca 0.16 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.41 1kld n PRO 76 Cb 0.57 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.92 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 1.14 0.00 -2.54 0.00 0.24 -1.19 -4.81 118.33 111.18 1kld n VAL 79 Ca 0.10 -1.34 -0.41 0.00 -2.04 0.00 0.00 64.34 60.64 1kld n VAL 79 Cb 0.32 0.77 -0.03 0.00 -1.47 0.00 0.00 33.84 33.43 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 -2.65 3.31 0.00 7.34 0.04 -1.26 0.38 135.00 142.16 1kld s PRO 80 Ca 0.22 0.03 0.00 0.00 0.04 0.00 0.00 61.00 61.29 1kld s PRO 80 Cb -0.00 -4.12 0.00 0.00 0.04 0.00 0.00 34.50 30.42 1kld s PRO 80 CO 0.16 -1.96 0.70 0.94 0.04 0.00 0.00 177.00 176.87 1kld n GLN 81 N 8.96 0.00 -3.25 4.56 7.27 0.76 -4.34 117.38 131.34 1kld n GLN 81 Ca 0.06 0.44 -0.46 0.00 0.07 0.00 0.00 57.00 57.11 1kld n GLN 81 Cb 0.49 -1.31 -0.03 0.00 2.41 0.00 0.00 30.24 31.80 1kld n GLN 81 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1kld s ALA 82 N -2.94 3.84 1.00 1.69 0.00 -1.23 -4.99 121.76 119.12 1kld s ALA 82 Ca 0.00 -2.98 0.00 0.00 0.00 0.00 0.00 51.96 48.98 1kld s ALA 82 Cb 0.00 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.58 1kld s ALA 82 CO 0.00 -2.32 0.00 1.28 0.00 0.00 0.00 175.76 174.72 1kld n LEU 83 N 4.80 0.00 -3.71 0.00 4.77 -1.26 -1.62 117.00 119.99 1kld n LEU 83 Ca 0.07 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.93 1kld n LEU 83 Cb 0.45 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.48 1kld n LEU 83 CO 0.42 -0.57 0.09 -1.61 -1.33 0.00 0.00 177.39 174.39 1kld s GLU 84 N -1.76 0.90 0.00 3.23 0.41 0.58 -4.54 118.70 117.52 1kld s GLU 84 Ca 0.00 -0.51 0.00 0.00 -0.41 0.00 0.00 54.97 54.05 1kld s GLU 84 Cb 0.00 0.39 0.00 0.00 -1.78 0.00 0.00 34.13 32.74 1kld s GLU 84 CO 0.00 -0.31 0.00 -0.35 -0.49 0.00 0.00 175.26 174.11 1kld n PRO 85 N 0.37 -0.02 -3.23 0.39 -0.04 -1.26 0.82 135.00 132.04 1kld n PRO 85 Ca -0.18 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.32 1kld n PRO 85 Cb 0.60 0.00 -0.02 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 -1.00 -0.50 1.53 2.96 -0.20 -4.34 118.68 117.13 1kld s LEU 86 Ca 0.00 0.76 -0.28 0.00 -0.22 0.00 0.00 54.13 54.39 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 -0.19 1.42 -2.16 -1.32 0.00 0.00 176.35 174.10 1kld s PRO 87 N 2.85 3.40 0.00 0.98 0.04 -1.26 -0.16 135.00 140.86 1kld s PRO 87 Ca 0.09 0.67 0.00 0.00 0.04 0.00 0.00 61.00 61.80 1kld s PRO 87 Cb -0.12 -4.09 0.00 0.00 0.04 0.00 0.00 34.50 30.33 1kld s PRO 87 CO -0.17 -1.79 0.00 0.44 0.04 0.00 0.00 177.00 175.51 1kld n ILE 88 N 6.97 0.00 -3.15 0.56 -5.35 -0.73 -4.11 119.36 113.55 1kld n ILE 88 Ca 0.14 0.00 0.04 0.00 -0.27 0.00 0.00 62.75 62.67 1kld n ILE 88 Cb 0.49 -0.03 -0.01 0.00 -1.74 0.00 0.00 39.64 38.34 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 0.33 -0.83 0.25 7.28 1.01 0.37 -2.78 120.40 126.02 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 0.01 0.00 0.00 0.00 0.00 175.10 175.11 1kld n TYR 90 N 5.44 0.51 -4.85 5.22 4.11 -1.11 -1.19 117.16 125.29 1kld n TYR 90 Ca -0.02 -1.26 -0.27 0.00 -0.00 0.00 0.00 57.90 56.35 1kld n TYR 90 Cb 0.52 -0.14 -0.16 0.00 -0.00 0.00 0.00 39.34 39.55 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 -1.98 1.80 -0.59 -3.48 2.02 -1.26 -1.80 117.35 112.07 1kld s TYR 91 Ca 0.02 -0.59 -0.04 0.00 -0.37 0.00 0.00 57.07 56.08 1kld s TYR 91 Cb 0.00 -1.23 0.15 0.00 -0.40 0.00 0.00 41.96 40.48 1kld s TYR 91 CO 0.01 -0.23 0.41 0.08 -1.57 0.00 0.00 175.55 174.25 1kld s VAL 92 N 0.22 3.83 0.00 0.71 1.01 -0.66 -4.87 120.40 120.64 1kld s VAL 92 Ca -0.09 -2.65 0.00 0.00 0.00 0.00 0.00 61.98 59.24 1kld s VAL 92 Cb -0.14 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 32.74 1kld s VAL 92 CO 0.04 -0.85 0.00 0.61 0.00 0.00 0.00 175.10 174.90 1kld n GLY 93 N 3.85 1.89 0.00 4.51 0.00 -1.26 -2.52 105.19 111.67 1kld n GLY 93 Ca 0.05 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 -3.71 1.61 1.74 -1.26 -5.05 116.66 109.99 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 -0.32 -0.12 0.00 -1.02 0.00 0.00 32.46 31.00 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 3.79 0.22 5.56 3.01 -1.05 -5.07 119.74 126.20 1kld s LYS 95 Ca 0.00 -0.41 -0.30 0.00 -1.01 0.00 0.00 55.97 54.25 1kld s LYS 95 Cb 0.00 -3.45 -0.08 0.00 -1.01 0.00 0.00 37.83 33.29 1kld s LYS 95 CO 0.00 -0.16 1.05 -1.25 0.51 0.00 0.00 175.35 175.50 1kld s PRO 96 N 1.59 4.68 -0.08 -1.68 0.04 -1.26 -1.65 135.00 136.65 1kld s PRO 96 Ca 0.06 1.67 -0.03 0.00 0.04 0.00 0.00 61.00 62.75 1kld s PRO 96 Cb -0.15 -3.26 0.04 0.00 0.04 0.00 0.00 34.50 31.17 1kld s PRO 96 CO 0.06 0.24 0.08 0.15 0.04 0.00 0.00 177.00 177.58 1kld s LYS 97 N -0.90 -0.03 -0.09 4.56 -0.14 -0.75 -4.96 119.74 117.43 1kld s LYS 97 Ca 0.45 0.31 -0.25 0.00 -1.36 0.00 0.00 55.97 55.12 1kld s LYS 97 Cb -0.29 -0.76 -0.03 0.00 -1.68 0.00 0.00 37.83 35.07 1kld s LYS 97 CO 0.36 -0.40 0.78 0.08 -0.76 0.00 0.00 175.35 175.41 1kld s VAL 98 N 2.18 4.97 0.00 3.17 1.01 -1.26 -2.75 120.40 127.71 1kld s VAL 98 Ca 0.04 1.60 0.00 0.00 0.00 0.00 0.00 61.98 63.62 1kld s VAL 98 Cb -0.13 -4.11 0.00 0.00 0.00 0.00 0.00 36.38 32.14 1kld s VAL 98 CO -0.05 0.16 0.00 1.21 0.00 0.00 0.00 175.10 176.43 1kld n GLU 99 N 4.27 1.81 -3.36 2.72 4.07 -1.12 -4.96 120.64 124.07 1kld n GLU 99 Ca 0.02 0.00 -0.22 0.00 -0.06 0.00 0.00 57.16 56.89 1kld n GLU 99 Cb 0.50 0.00 -0.09 0.00 -0.06 0.00 0.00 31.44 31.79 1kld n GLU 99 CO 0.00 0.00 0.00 -0.65 -0.06 0.00 0.00 177.13 176.42 1kld s GLN 100 N 0.10 0.70 0.41 5.31 1.11 -1.25 -1.77 119.66 124.27 1kld s GLN 100 Ca 0.00 -1.33 -0.22 0.00 0.01 0.00 0.00 55.36 53.82 1kld s GLN 100 Cb 0.00 -1.03 -0.14 0.00 -1.01 0.00 0.00 33.01 30.84 1kld s GLN 100 CO 0.00 -1.26 0.41 1.28 0.01 0.00 0.00 175.29 175.74 1kld n LEU 101 N 3.74 -0.88 -4.76 2.90 4.77 0.78 -4.37 117.00 119.19 1kld n LEU 101 Ca 0.17 0.89 -0.36 0.00 -0.03 0.00 0.00 56.01 56.68 1kld n LEU 101 Cb 0.44 -1.04 -0.08 0.00 -2.33 0.00 0.00 43.42 40.41 1kld n LEU 101 CO 0.10 -3.27 -0.19 -0.44 -1.33 0.00 0.00 177.39 172.25 1kld s SER 102 N -0.97 6.13 -1.55 -1.43 0.01 -1.26 -1.03 113.70 113.60 1kld s SER 102 Ca 0.62 0.28 -0.03 0.00 1.31 0.00 0.00 55.95 58.13 1kld s SER 102 Cb -0.62 -2.03 0.01 0.00 0.21 0.00 0.00 66.02 63.58 1kld s SER 102 CO 0.59 0.26 0.35 0.59 0.41 0.00 0.00 173.24 175.44 1kld n ASN 103 N 2.97 -5.60 -1.32 2.44 5.03 -1.10 -4.83 115.26 112.85 1kld n ASN 103 Ca -0.17 -0.16 0.06 0.00 0.87 0.00 0.00 54.58 55.17 1kld n ASN 103 Cb 0.53 -4.60 0.27 0.00 -1.02 0.00 0.00 39.78 34.97 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 -3.56 3.24 -3.89 3.52 1.56 0.24 -4.62 117.12 113.61 1kld n MET 104 Ca -0.15 -2.16 -0.09 0.00 -0.27 0.00 0.00 57.70 55.04 1kld n MET 104 Cb 0.63 -1.82 -0.08 0.00 2.15 0.00 0.00 33.22 34.11 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 -1.91 0.15 -0.15 1.12 1.01 0.75 -4.83 121.20 117.34 1kld s ILE 105 Ca 0.38 -1.26 -0.03 0.00 0.00 0.00 0.00 60.65 59.74 1kld s ILE 105 Cb 0.26 -1.34 -0.02 0.00 0.01 0.00 0.00 42.46 41.36 1kld s ILE 105 CO 0.16 -0.70 -0.06 -0.69 0.00 0.00 0.00 174.94 173.65 1kld s VAL 106 N -3.80 3.60 -0.11 2.92 1.01 -1.10 -0.31 120.40 122.60 1kld s VAL 106 Ca 0.05 -0.46 0.08 0.00 0.00 0.00 0.00 61.98 61.65 1kld s VAL 106 Cb 0.05 -2.56 -0.12 0.00 0.00 0.00 0.00 36.38 33.75 1kld s VAL 106 CO -0.11 0.49 0.23 -1.14 0.00 0.00 0.00 175.10 174.58 1kld n ARG 107 N 3.65 1.36 -3.61 2.72 0.63 -0.64 -4.83 116.66 115.95 1kld n ARG 107 Ca -0.18 -0.06 -0.05 0.00 -0.92 0.00 0.00 57.85 56.65 1kld n ARG 107 Cb 0.52 -1.11 -0.03 0.00 0.45 0.00 0.00 32.46 32.29 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 -2.64 -0.15 0.54 6.15 0.15 -1.24 -4.33 113.70 112.18 1kld s SER 108 Ca -0.01 0.10 0.08 0.00 0.70 0.00 0.00 55.95 56.82 1kld s SER 108 Cb 0.06 0.14 0.08 0.00 -1.71 0.00 0.00 66.02 64.58 1kld s SER 108 CO 0.34 -0.19 0.65 0.00 1.20 0.00 0.00 173.24 175.24 1kld n LYS 110 N -2.05 0.00 -3.39 0.00 -0.00 0.16 -4.21 118.16 108.68 1kld n LYS 110 Ca 0.10 0.00 -0.19 0.00 -0.00 0.00 0.00 58.31 58.23 1kld n LYS 110 Cb 0.57 0.00 -0.09 0.00 -0.00 0.00 0.00 35.03 35.51 1kld n LYS 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40