#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 6.21 0.00 0.00 4.77 -1.26 -4.64 117.00 122.08 1kld n LEU 2 Ca 0.00 -5.35 -0.07 0.00 -0.03 0.00 0.00 56.01 50.56 1kld n LEU 2 Cb 0.00 -1.09 -0.01 0.00 -2.33 0.00 0.00 43.42 39.98 1kld n LEU 2 CO 0.00 1.92 -0.05 -0.90 -1.33 0.00 0.00 177.39 177.03 1kld n ASP 3 N 0.66 2.18 -0.17 -1.43 5.68 -1.26 -2.24 116.55 119.97 1kld n ASP 3 Ca 0.34 -1.47 0.02 0.00 -0.50 0.00 0.00 54.79 53.17 1kld n ASP 3 Cb 0.32 0.09 0.04 0.00 -1.14 0.00 0.00 41.12 40.43 1kld n ASP 3 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1kld n THR 4 N -0.26 0.13 -0.13 2.12 -2.24 -1.26 -2.63 114.28 110.01 1kld n THR 4 Ca -0.04 -0.13 -0.22 0.00 -2.27 0.00 0.00 64.05 61.40 1kld n THR 4 Cb 0.14 0.06 -0.11 0.00 -2.10 0.00 0.00 70.33 68.32 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 -0.22 1.99 0.11 3.42 2.85 -1.26 -3.95 115.26 118.19 1kld n ASN 5 Ca 0.03 0.02 0.12 0.00 -0.11 0.00 0.00 54.58 54.64 1kld n ASN 5 Cb 0.08 -0.54 0.06 0.00 1.24 0.00 0.00 39.78 40.62 1kld n ASN 5 CO 0.00 0.00 0.00 0.22 -2.11 0.00 0.00 177.26 175.37 1kld h TYR 6 N -0.33 0.00 0.00 1.20 3.20 -1.82 -3.31 116.97 115.90 1kld h TYR 6 Ca -0.61 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.26 1kld h TYR 6 Cb 1.78 0.00 0.00 0.00 1.54 0.00 0.00 36.73 40.05 1kld h TYR 6 CO -0.01 0.00 -0.56 0.00 -1.64 0.00 0.00 178.16 175.95 1kld n PHE 8 N -2.33 0.38 0.00 0.00 3.01 -1.25 -4.51 117.46 112.78 1kld n PHE 8 Ca 0.03 -0.18 0.00 0.00 1.01 0.00 0.00 57.45 58.31 1kld n PHE 8 Cb 0.47 -0.04 0.00 0.00 -0.01 0.00 0.00 39.48 39.90 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 0.22 0.00 0.00 4.37 7.64 -1.23 -5.08 113.62 119.54 1kld n SER 9 Ca 0.08 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.96 1kld n SER 9 Cb 0.26 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.46 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 0.00 -4.94 6.43 2.88 -1.26 -5.14 113.62 111.58 1kld n SER 10 Ca 0.00 0.00 -0.23 0.00 -1.33 0.00 0.00 58.87 57.31 1kld n SER 10 Cb 0.00 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.47 1kld n SER 10 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1kld s THR 11 N 2.98 2.00 0.23 2.46 -1.32 -1.26 -4.95 115.64 115.78 1kld s THR 11 Ca 0.00 -1.30 -0.21 0.00 -1.21 0.00 0.00 61.69 58.97 1kld s THR 11 Cb 0.00 -2.30 0.07 0.00 -1.51 0.00 0.00 72.50 68.76 1kld s THR 11 CO 0.00 0.00 0.97 -0.70 -2.21 0.00 0.00 174.62 172.68 1kld s GLU 12 N -4.38 1.52 -0.19 7.08 2.56 -1.26 -5.06 118.70 118.96 1kld s GLU 12 Ca 0.46 -0.97 0.19 0.00 0.00 0.00 0.00 54.97 54.65 1kld s GLU 12 Cb -0.04 0.43 0.47 0.00 2.00 0.00 0.00 34.13 36.99 1kld s GLU 12 CO 0.28 -0.71 1.16 1.63 -0.56 0.00 0.00 175.26 177.06 1kld n LYS 13 N -0.64 1.64 0.00 4.30 5.02 -1.26 -5.02 118.16 122.20 1kld n LYS 13 Ca -0.04 -3.23 0.00 0.00 -2.02 0.00 0.00 58.31 53.02 1kld n LYS 13 Cb 0.60 -1.33 0.00 0.00 -0.02 0.00 0.00 35.03 34.28 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 -0.40 0.33 -4.38 4.39 3.02 -1.26 -4.36 115.26 112.60 1kld n ASN 14 Ca 0.16 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.30 1kld n ASN 14 Cb 0.91 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 40.07 1kld n ASN 14 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1kld n VAL 17 N 4.38 0.73 -3.94 0.00 3.14 -1.26 -3.34 118.33 118.04 1kld n VAL 17 Ca -0.19 -0.15 -0.28 0.00 -2.96 0.00 0.00 64.34 60.76 1kld n VAL 17 Cb 0.51 -2.26 -0.04 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 4.49 3.43 0.48 1.45 0.52 -0.43 -4.57 118.95 124.31 1kld s ARG 18 Ca 0.90 -0.53 -0.24 0.00 -0.52 0.00 0.00 55.73 55.34 1kld s ARG 18 Cb -0.47 -2.99 -0.07 0.00 0.52 0.00 0.00 34.95 31.93 1kld s ARG 18 CO 0.43 0.56 1.33 0.00 0.02 0.00 0.00 175.30 177.65 1kld n GLN 19 N -0.15 1.90 -2.71 3.54 10.64 -1.26 -2.64 117.38 126.69 1kld n GLN 19 Ca -0.06 0.68 -0.04 0.00 -1.83 0.00 0.00 57.00 55.75 1kld n GLN 19 Cb 0.53 -2.51 0.09 0.00 -0.86 0.00 0.00 30.24 27.48 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 -0.36 -0.29 -4.57 2.61 7.94 -1.26 -4.79 117.00 116.29 1kld n LEU 20 Ca 0.08 -3.34 -0.50 0.00 -1.11 0.00 0.00 56.01 51.14 1kld n LEU 20 Cb 0.42 0.23 -0.05 0.00 0.53 0.00 0.00 43.42 44.56 1kld n LEU 20 CO 0.57 1.58 0.71 0.00 -1.11 0.00 0.00 177.39 179.14 1kld n TYR 21 N -0.77 1.23 -4.05 1.96 4.19 -1.26 -3.34 117.16 115.11 1kld n TYR 21 Ca -0.03 0.71 -0.32 0.00 3.31 0.00 0.00 57.90 61.57 1kld n TYR 21 Cb 0.84 -2.26 -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 -0.09 1.87 -0.92 2.97 1.01 -0.48 -4.85 121.20 120.70 1kld s ILE 22 Ca 0.76 -1.05 -0.22 0.00 0.00 0.00 0.00 60.65 60.13 1kld s ILE 22 Cb -0.90 -1.84 0.07 0.00 0.01 0.00 0.00 42.46 39.80 1kld s ILE 22 CO 0.52 0.29 1.29 -0.62 0.00 0.00 0.00 174.94 176.42 1kld s ASP 23 N 1.32 6.46 0.00 3.58 2.15 -1.26 -2.32 116.67 126.60 1kld s ASP 23 Ca 0.00 -1.44 0.00 0.00 0.43 0.00 0.00 52.55 51.54 1kld s ASP 23 Cb -0.15 -2.51 0.00 0.00 -0.30 0.00 0.00 42.92 39.96 1kld s ASP 23 CO -0.10 -1.42 0.00 0.49 -0.17 0.00 0.00 175.17 173.97 1kld n PHE 24 N 8.18 0.00 0.07 -5.34 3.72 0.42 0.21 117.46 124.73 1kld n PHE 24 Ca 0.23 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.41 1kld n PHE 24 Cb 0.50 -0.29 -0.15 0.00 -0.94 0.00 0.00 39.48 38.59 1kld n PHE 24 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1kld h ARG 25 N 0.00 0.38 -0.16 -1.08 3.08 -1.76 1.43 114.38 116.27 1kld h ARG 25 Ca 0.00 -0.64 -0.01 0.00 0.07 0.00 0.00 59.98 59.40 1kld h ARG 25 Cb 0.00 0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 1kld h ARG 25 CO 0.00 1.31 0.07 -0.22 -1.07 0.00 0.00 179.97 180.05 1kld h LYS 26 N -0.14 0.23 0.00 0.04 3.64 0.22 -1.39 116.57 119.17 1kld h LYS 26 Ca -0.23 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.11 1kld h LYS 26 Cb 1.88 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.66 1kld h LYS 26 CO 0.18 0.30 -0.29 -0.44 -2.27 0.00 0.00 179.45 176.93 1kld h ASP 27 N 0.11 0.00 0.71 4.20 3.32 -1.34 -3.41 116.42 120.00 1kld h ASP 27 Ca 0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1kld h ASP 27 Cb 0.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 1kld h ASP 27 CO -0.01 0.46 -0.48 0.18 -1.72 0.00 0.00 179.24 177.67 1kld n LEU 28 N -3.75 0.52 -0.30 1.55 4.77 -1.00 -4.90 117.00 113.89 1kld n LEU 28 Ca -0.04 0.15 -0.04 0.00 -0.03 0.00 0.00 56.01 56.05 1kld n LEU 28 Cb 0.15 -0.25 -0.02 0.00 -2.33 0.00 0.00 43.42 40.97 1kld n LEU 28 CO 0.06 0.04 -0.04 0.61 -1.33 0.00 0.00 177.39 176.73 1kld n GLY 29 N 1.44 0.43 3.63 -0.72 0.00 0.46 -4.85 105.19 105.59 1kld n GLY 29 Ca 0.05 -0.03 -0.58 0.00 0.00 0.00 0.00 46.02 45.46 1kld n GLY 29 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1kld n TRP 30 N -2.20 1.50 0.54 1.61 7.02 0.58 -4.73 117.44 121.75 1kld n TRP 30 Ca -0.04 0.80 0.06 0.00 -1.02 0.00 0.00 57.50 57.31 1kld n TRP 30 Cb 0.47 -2.29 -0.08 0.00 -2.42 0.00 0.00 31.31 26.99 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 3.34 2.46 0.00 -0.99 5.02 -1.26 -4.34 118.16 122.39 1kld n LYS 31 Ca 0.23 -0.01 0.15 0.00 -2.02 0.00 0.00 58.31 56.65 1kld n LYS 31 Cb 0.10 -1.13 0.67 0.00 -0.02 0.00 0.00 35.03 34.64 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 -1.38 0.00 -4.91 2.13 4.27 -1.26 -4.75 117.44 111.54 1kld n TRP 32 Ca 0.02 0.00 -0.29 0.00 -3.89 0.00 0.00 57.50 53.34 1kld n TRP 32 Cb 0.22 -0.08 -0.17 0.00 -1.36 0.00 0.00 31.31 29.92 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 -2.22 1.65 -0.21 -1.67 1.01 -1.26 -4.26 121.20 114.24 1kld s ILE 33 Ca 0.36 -0.77 -0.16 0.00 0.00 0.00 0.00 60.65 60.08 1kld s ILE 33 Cb 0.21 -1.45 -0.12 0.00 0.01 0.00 0.00 42.46 41.11 1kld s ILE 33 CO 0.41 0.47 -0.13 1.57 0.00 0.00 0.00 174.94 177.26 1kld n HIS 34 N 3.69 0.53 -4.22 3.97 -0.00 -0.29 -4.94 115.22 113.95 1kld n HIS 34 Ca -0.21 0.23 -0.19 0.00 -0.00 0.00 0.00 57.72 57.56 1kld n HIS 34 Cb 0.52 -0.90 -0.12 0.00 -0.00 0.00 0.00 29.99 29.49 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 -2.47 0.97 0.81 1.57 2.02 -0.89 -4.12 118.70 116.58 1kld s GLU 35 Ca -0.29 -1.14 -0.12 0.00 0.02 0.00 0.00 54.97 53.44 1kld s GLU 35 Cb 0.07 -0.93 0.08 0.00 0.10 0.00 0.00 34.13 33.45 1kld s GLU 35 CO 0.46 0.19 1.13 -1.25 0.02 0.00 0.00 175.26 175.81 1kld s PRO 36 N -2.29 2.01 0.35 0.39 0.04 -1.26 0.53 135.00 134.77 1kld s PRO 36 Ca 0.05 0.37 0.07 0.00 0.04 0.00 0.00 61.00 61.53 1kld s PRO 36 Cb -0.07 -1.93 0.76 0.00 0.04 0.00 0.00 34.50 33.29 1kld s PRO 36 CO 0.03 -1.61 1.88 0.87 0.04 0.00 0.00 177.00 178.21 1kld h LYS 37 N -1.07 0.74 0.00 4.56 6.56 -1.97 -3.44 116.57 121.94 1kld h LYS 37 Ca -0.47 -0.04 0.00 0.00 -1.06 0.00 0.00 60.65 59.08 1kld h LYS 37 Cb 1.30 -0.17 0.00 0.00 -0.57 0.00 0.00 32.23 32.79 1kld h LYS 37 CO 0.63 0.49 0.00 0.41 -2.06 0.00 0.00 179.45 178.91 1kld n GLY 38 N -1.43 3.42 0.00 3.86 0.00 -1.26 -0.44 105.19 109.34 1kld n GLY 38 Ca 0.16 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 -3.00 1.61 4.11 -0.98 -4.85 117.16 114.05 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 0.01 4.27 -0.33 -3.48 8.25 -1.26 -1.38 115.22 121.30 1kld n HIS 40 Ca 0.00 -3.32 -0.04 0.00 -0.26 0.00 0.00 57.72 54.10 1kld n HIS 40 Cb 0.00 -1.81 0.10 0.00 1.12 0.00 0.00 29.99 29.40 1kld n HIS 40 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1kld h ALA 41 N 6.43 1.18 -3.15 -1.41 0.00 -1.86 -3.40 119.26 117.05 1kld h ALA 41 Ca 0.26 -0.13 0.37 0.00 0.00 0.00 0.00 54.91 55.41 1kld h ALA 41 Cb 0.78 -0.35 -0.11 0.00 0.00 0.00 0.00 17.79 18.11 1kld h ALA 41 CO 1.24 0.66 -0.66 0.09 0.00 0.00 0.00 179.25 180.58 1kld n ASN 42 N -4.33 -8.27 0.00 0.00 3.02 -1.21 -2.19 115.26 102.28 1kld n ASN 42 Ca 0.09 0.74 0.00 0.00 -0.03 0.00 0.00 54.58 55.38 1kld n ASN 42 Cb 0.10 -4.31 0.00 0.00 -0.61 0.00 0.00 39.78 34.96 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 -4.17 0.00 -3.99 3.10 -1.74 -1.08 -4.68 117.46 104.90 1kld n PHE 43 Ca -0.01 0.00 -0.08 0.00 -0.56 0.00 0.00 57.45 56.80 1kld n PHE 43 Cb 0.64 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.54 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 -2.45 0.69 0.43 0.00 1.43 -1.21 -4.85 118.68 112.72 1kld s LEU 45 Ca -0.00 -1.22 0.00 0.00 -1.03 0.00 0.00 54.13 51.87 1kld s LEU 45 Cb 0.02 1.53 0.00 0.00 0.03 0.00 0.00 46.19 47.77 1kld s LEU 45 CO -0.07 -1.20 0.00 0.61 0.23 0.00 0.00 176.35 175.92 1kld n GLY 46 N -0.45 -4.15 0.00 -3.19 0.00 -1.25 -3.15 105.19 93.00 1kld n GLY 46 Ca -0.00 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.33 1.33 -3.86 1.61 -0.04 -1.26 -3.18 135.00 128.27 1kld n PRO 47 Ca 0.00 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.34 1kld n PRO 47 Cb 0.11 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.45 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 2.23 1.55 -1.28 0.00 -0.04 -1.26 -4.74 135.00 131.46 1kld n PRO 49 Ca -0.18 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 62.99 1kld n PRO 49 Cb 0.57 0.00 0.13 0.00 -0.04 0.00 0.00 33.50 34.16 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 -0.19 3.12 -1.98 0.54 4.11 -1.26 -4.18 117.16 117.32 1kld n TYR 50 Ca 0.00 -2.43 0.00 0.00 -0.00 0.00 0.00 57.90 55.47 1kld n TYR 50 Cb 0.00 -1.18 0.00 0.00 -0.00 0.00 0.00 39.34 38.16 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 -1.03 0.00 -2.78 -3.48 -5.35 -1.26 -4.98 119.36 100.48 1kld n ILE 51 Ca 0.61 0.00 -0.42 0.00 -0.27 0.00 0.00 62.75 62.66 1kld n ILE 51 Cb 1.17 0.10 0.01 0.00 -1.74 0.00 0.00 39.64 39.17 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 2.44 -4.44 4.28 -0.00 -1.26 -4.74 117.44 113.72 1kld n TRP 52 Ca 0.00 -2.61 -0.40 0.00 -0.00 0.00 0.00 57.50 54.49 1kld n TRP 52 Cb 0.53 -1.40 -0.07 0.00 -0.00 0.00 0.00 31.31 30.37 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 1.61 -1.81 -4.64 5.87 7.64 -1.26 -4.75 113.62 116.29 1kld n SER 53 Ca 0.33 -1.20 -0.48 0.00 1.01 0.00 0.00 58.87 58.53 1kld n SER 53 Cb 0.32 -1.88 -0.05 0.00 -1.01 0.00 0.00 64.21 61.60 1kld n SER 53 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1kld n LEU 54 N -4.19 2.50 -0.05 -3.43 4.77 -1.26 -4.79 117.00 110.55 1kld n LEU 54 Ca 0.05 1.10 -0.16 0.00 -0.03 0.00 0.00 56.01 56.97 1kld n LEU 54 Cb 0.49 -1.33 -0.14 0.00 -2.33 0.00 0.00 43.42 40.11 1kld n LEU 54 CO 0.93 -0.60 -0.93 -0.90 -1.33 0.00 0.00 177.39 174.56 1kld n ASP 55 N 3.03 1.54 -4.81 -1.43 5.68 -1.26 -4.94 116.55 114.35 1kld n ASP 55 Ca 0.17 0.14 -0.24 0.00 -0.50 0.00 0.00 54.79 54.37 1kld n ASP 55 Cb 0.25 -0.33 -0.05 0.00 -1.14 0.00 0.00 41.12 39.85 1kld n ASP 55 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 1kld s THR 56 N -2.55 4.47 0.09 2.12 -4.23 -1.26 -5.01 115.64 109.27 1kld s THR 56 Ca -0.20 -1.26 0.11 0.00 -1.18 0.00 0.00 61.69 59.16 1kld s THR 56 Cb 0.07 -3.36 -0.07 0.00 1.34 0.00 0.00 72.50 70.49 1kld s THR 56 CO 0.75 -0.24 1.44 -0.61 -0.54 0.00 0.00 174.62 175.41 1kld h GLN 57 N 1.90 0.00 -0.58 3.99 5.75 -1.98 -3.18 115.11 121.01 1kld h GLN 57 Ca -0.48 0.00 -0.06 0.00 -0.15 0.00 0.00 58.65 57.96 1kld h GLN 57 Cb 1.22 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.75 1kld h GLN 57 CO 0.62 0.74 0.13 -0.92 -2.65 0.00 0.00 178.83 176.74 1kld h TYR 58 N 0.00 0.95 0.00 3.99 3.20 -1.99 -1.13 116.97 121.99 1kld h TYR 58 Ca -0.01 -0.10 0.00 0.00 3.14 0.00 0.00 58.73 61.76 1kld h TYR 58 Cb 1.45 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 39.45 1kld h TYR 58 CO 0.00 0.80 0.02 0.77 -1.64 0.00 0.00 178.16 178.11 1kld h SER 59 N 0.87 0.00 0.07 -2.11 0.02 -1.88 -1.39 113.55 109.13 1kld h SER 59 Ca 0.19 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.93 1kld h SER 59 Cb 0.34 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 1kld h SER 59 CO 0.00 0.00 -1.07 0.50 -1.14 0.00 0.00 176.83 175.12 1kld h LYS 60 N 0.00 0.15 0.24 3.45 3.64 -1.33 -2.94 116.57 119.77 1kld h LYS 60 Ca 0.00 -0.25 -0.01 0.00 -1.27 0.00 0.00 60.65 59.12 1kld h LYS 60 Cb 0.05 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1kld h LYS 60 CO 0.00 1.12 -0.12 0.28 -2.27 0.00 0.00 179.45 178.46 1kld h VAL 61 N -0.60 0.00 -1.02 2.00 2.07 -1.19 -2.89 116.25 114.61 1kld h VAL 61 Ca -0.25 -0.09 0.30 0.00 0.82 0.00 0.00 66.70 67.49 1kld h VAL 61 Cb 1.51 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.24 1kld h VAL 61 CO -0.01 0.00 0.74 0.25 0.02 0.00 0.00 177.57 178.57 1kld h LEU 62 N -0.41 0.00 -0.44 2.57 5.85 -1.50 0.16 115.31 121.54 1kld h LEU 62 Ca -0.03 0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.76 1kld h LEU 62 Cb 0.25 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.22 1kld h LEU 62 CO 0.05 0.00 0.07 0.00 -0.34 0.00 0.00 178.44 178.23 1kld h ALA 63 N 1.48 0.47 -0.04 1.25 0.00 -1.32 -1.51 119.26 119.60 1kld h ALA 63 Ca 0.49 0.10 -0.22 0.00 0.00 0.00 0.00 54.91 55.27 1kld h ALA 63 Cb 1.96 0.14 0.01 0.00 0.00 0.00 0.00 17.79 19.90 1kld h ALA 63 CO -0.01 -0.33 -0.89 -0.07 0.00 0.00 0.00 179.25 177.96 1kld h LEU 64 N 0.20 0.65 -1.94 0.00 3.38 -0.63 -1.81 115.31 115.16 1kld h LEU 64 Ca 0.22 -0.48 0.40 0.00 0.09 0.00 0.00 57.88 58.11 1kld h LEU 64 Cb 0.29 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.78 1kld h LEU 64 CO -0.30 1.27 0.99 0.22 0.09 0.00 0.00 178.44 180.71 1kld h TYR 65 N 0.32 0.06 0.00 1.13 5.03 -0.33 0.86 116.97 124.03 1kld h TYR 65 Ca -0.07 0.00 -0.32 0.00 2.58 0.00 0.00 58.73 60.92 1kld h TYR 65 Cb 1.51 -0.02 -0.05 0.00 1.55 0.00 0.00 36.73 39.73 1kld h TYR 65 CO 0.07 -0.01 -1.97 -1.71 -1.32 0.00 0.00 178.16 173.22 1kld n ASN 66 N -4.16 1.93 0.22 -2.11 2.85 -0.95 -3.95 115.26 109.10 1kld n ASN 66 Ca 0.31 0.36 0.08 0.00 -0.11 0.00 0.00 54.58 55.22 1kld n ASN 66 Cb 1.44 -0.83 0.41 0.00 1.24 0.00 0.00 39.78 42.04 1kld n ASN 66 CO 0.00 0.00 0.00 1.56 -2.11 0.00 0.00 177.26 176.71 1kld h GLN 67 N -1.00 0.00 0.03 1.20 7.50 -0.55 0.18 115.11 122.47 1kld h GLN 67 Ca -0.49 0.00 -0.24 0.00 0.50 0.00 0.00 58.65 58.42 1kld h GLN 67 Cb 1.40 0.00 -0.03 0.00 0.05 0.00 0.00 27.48 28.91 1kld h GLN 67 CO -0.30 0.00 -1.32 0.45 -1.50 0.00 0.00 178.83 176.17 1kld h HIS 68 N 0.00 0.13 -3.68 2.96 3.86 -1.04 -3.45 115.15 113.94 1kld h HIS 68 Ca 0.00 -0.09 -0.62 0.00 -1.16 0.00 0.00 60.37 58.50 1kld h HIS 68 Cb 0.81 -0.01 -0.14 0.00 1.06 0.00 0.00 27.41 29.13 1kld h HIS 68 CO 0.00 1.52 -0.33 -0.80 0.86 0.00 0.00 177.93 179.18 1kld s ASN 69 N -6.87 6.23 -0.85 2.45 0.01 0.05 -5.01 114.94 110.95 1kld s ASN 69 Ca -0.26 0.25 -0.25 0.00 -0.71 0.00 0.00 52.86 51.89 1kld s ASN 69 Cb 0.05 -2.18 0.02 0.00 0.41 0.00 0.00 41.25 39.56 1kld s ASN 69 CO 0.65 -0.09 1.48 -2.16 -1.51 0.00 0.00 177.10 175.46 1kld s PRO 70 N 1.67 3.21 0.00 -0.60 0.04 -1.26 -3.25 135.00 134.81 1kld s PRO 70 Ca 0.13 -0.49 0.00 0.00 0.04 0.00 0.00 61.00 60.69 1kld s PRO 70 Cb -0.15 -4.74 0.00 0.00 0.04 0.00 0.00 34.50 29.64 1kld s PRO 70 CO 0.09 -2.37 0.00 0.41 0.04 0.00 0.00 177.00 175.17 1kld n GLY 71 N 6.14 1.96 3.68 0.56 0.00 -1.26 -5.11 105.19 111.17 1kld n GLY 71 Ca 0.20 0.00 -0.39 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 3.52 -0.19 4.61 0.00 -1.20 -4.94 121.76 121.59 1kld s ALA 72 Ca 0.00 -0.34 0.01 0.00 0.00 0.00 0.00 51.96 51.63 1kld s ALA 72 Cb 0.00 -2.78 0.21 0.00 0.00 0.00 0.00 23.12 20.55 1kld s ALA 72 CO 0.00 -0.34 1.59 0.43 0.00 0.00 0.00 175.76 177.44 1kld n SER 73 N 4.52 4.37 -3.05 0.00 7.64 -1.26 -4.30 113.62 121.54 1kld n SER 73 Ca -0.05 -2.70 -0.19 0.00 1.01 0.00 0.00 58.87 56.93 1kld n SER 73 Cb 0.51 -0.79 -0.02 0.00 -1.01 0.00 0.00 64.21 62.89 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 0.18 2.90 -2.42 -0.43 0.00 -1.26 -5.10 120.51 114.38 1kld n ALA 74 Ca 0.22 -3.71 -0.17 0.00 0.00 0.00 0.00 53.44 49.78 1kld n ALA 74 Cb 0.79 -0.87 0.10 0.00 0.00 0.00 0.00 19.45 19.46 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 0.09 -0.01 -1.00 0.00 0.00 -1.26 -4.63 120.51 113.70 1kld n ALA 75 Ca 0.25 -1.45 0.00 0.00 0.00 0.00 0.00 53.44 52.24 1kld n ALA 75 Cb 0.62 0.20 0.00 0.00 0.00 0.00 0.00 19.45 20.27 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 -2.48 0.35 -3.41 0.00 -0.04 -1.26 -5.02 135.00 123.14 1kld n PRO 76 Ca 0.12 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.38 1kld n PRO 76 Cb 0.44 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.81 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 -1.13 0.08 -0.92 0.00 -7.23 -0.41 -4.82 120.40 105.98 1kld s VAL 79 Ca 0.53 -1.66 -0.24 0.00 -1.81 0.00 0.00 61.98 58.80 1kld s VAL 79 Cb -0.46 -1.95 0.01 0.00 0.56 0.00 0.00 36.38 34.55 1kld s VAL 79 CO 0.62 -0.38 1.62 -2.16 -0.31 0.00 0.00 175.10 174.49 1kld s PRO 80 N -4.01 3.14 0.00 4.82 0.04 -1.26 0.15 135.00 137.88 1kld s PRO 80 Ca 0.21 -0.63 0.00 0.00 0.04 0.00 0.00 61.00 60.62 1kld s PRO 80 Cb 0.05 -5.07 0.00 0.00 0.04 0.00 0.00 34.50 29.53 1kld s PRO 80 CO 0.01 -2.62 0.89 0.94 0.04 0.00 0.00 177.00 176.25 1kld n GLN 81 N 8.95 0.00 -3.07 4.56 7.27 0.25 -4.69 117.38 130.65 1kld n GLN 81 Ca 0.31 0.46 -0.28 0.00 0.07 0.00 0.00 57.00 57.56 1kld n GLN 81 Cb 0.50 -1.39 -0.02 0.00 2.41 0.00 0.00 30.24 31.74 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 -2.92 3.50 0.00 1.69 0.00 -1.06 -4.96 121.76 118.00 1kld s ALA 82 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 51.96 51.50 1kld s ALA 82 Cb 0.00 -2.46 0.00 0.00 0.00 0.00 0.00 23.12 20.66 1kld s ALA 82 CO 0.00 0.04 0.00 1.28 0.00 0.00 0.00 175.76 177.08 1kld n LEU 83 N -1.35 0.00 -3.67 0.00 4.77 -1.26 -1.80 117.00 113.69 1kld n LEU 83 Ca -0.00 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.86 1kld n LEU 83 Cb 0.54 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.58 1kld n LEU 83 CO 0.49 0.00 0.13 -1.61 -1.33 0.00 0.00 177.39 175.07 1kld s GLU 84 N -1.22 0.97 0.00 3.23 2.02 -0.78 -4.55 118.70 118.37 1kld s GLU 84 Ca 0.00 -0.57 0.00 0.00 0.02 0.00 0.00 54.97 54.42 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 -0.35 0.00 -0.35 0.02 0.00 0.00 175.26 174.58 1kld n PRO 85 N 0.14 0.82 -3.23 0.39 -0.04 -1.26 0.60 135.00 132.43 1kld n PRO 85 Ca -0.17 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.32 1kld n PRO 85 Cb 0.62 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.06 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 -0.96 -0.46 1.53 2.96 0.18 -4.37 118.68 117.57 1kld s LEU 86 Ca 0.00 0.75 -0.29 0.00 -0.22 0.00 0.00 54.13 54.37 1kld s LEU 86 Cb 0.00 1.87 0.02 0.00 0.50 0.00 0.00 46.19 48.57 1kld s LEU 86 CO 0.00 -0.18 1.32 -2.16 -1.32 0.00 0.00 176.35 174.01 1kld s PRO 87 N 2.84 3.58 0.00 0.98 0.04 -1.26 0.27 135.00 141.45 1kld s PRO 87 Ca 0.08 0.73 0.00 0.00 0.04 0.00 0.00 61.00 61.85 1kld s PRO 87 Cb -0.12 -4.00 0.00 0.00 0.04 0.00 0.00 34.50 30.42 1kld s PRO 87 CO -0.17 -1.57 0.00 0.44 0.04 0.00 0.00 177.00 175.74 1kld n ILE 88 N 6.97 0.00 -3.15 0.56 -5.35 -1.00 -4.25 119.36 113.14 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 0.00 -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 0.95 -0.76 0.09 7.28 1.01 0.19 -3.22 120.40 125.93 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 35.39 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 -0.08 -3.80 5.22 4.11 -0.69 -1.14 117.16 126.22 1kld n TYR 90 Ca -0.03 -0.41 -0.13 0.00 -0.00 0.00 0.00 57.90 57.32 1kld n TYR 90 Cb 0.52 -0.06 -0.15 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 -1.15 -0.05 -0.72 -3.48 1.51 -1.26 -1.41 117.35 110.78 1kld s TYR 91 Ca 0.01 0.22 -0.10 0.00 -1.01 0.00 0.00 57.07 56.19 1kld s TYR 91 Cb -0.00 -0.09 0.19 0.00 -0.11 0.00 0.00 41.96 41.95 1kld s TYR 91 CO 0.01 -0.08 0.61 0.08 -1.11 0.00 0.00 175.55 175.06 1kld s VAL 92 N 0.64 4.84 0.00 0.71 1.01 -0.58 -4.82 120.40 122.20 1kld s VAL 92 Ca -0.05 -2.55 0.00 0.00 0.00 0.00 0.00 61.98 59.38 1kld s VAL 92 Cb -0.07 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 32.26 1kld s VAL 92 CO -0.02 -0.95 0.00 0.61 0.00 0.00 0.00 175.10 174.74 1kld n GLY 93 N 3.93 2.26 0.00 4.51 0.00 -1.26 -2.94 105.19 111.69 1kld n GLY 93 Ca 0.09 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1kld n GLY 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kld n ARG 94 N 0.00 0.00 -3.38 1.61 5.12 -1.26 -5.08 116.66 113.66 1kld n ARG 94 Ca 0.00 0.00 -0.38 0.00 -1.93 0.00 0.00 57.85 55.54 1kld n ARG 94 Cb 0.00 -0.19 -0.06 0.00 -1.16 0.00 0.00 32.46 31.05 1kld n ARG 94 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 1kld s LYS 95 N 0.00 4.15 0.31 5.56 1.02 -1.15 -5.06 119.74 124.58 1kld s LYS 95 Ca 0.00 0.47 -0.27 0.00 0.02 0.00 0.00 55.97 56.19 1kld s LYS 95 Cb 0.00 -3.32 -0.10 0.00 -0.52 0.00 0.00 37.83 33.89 1kld s LYS 95 CO 0.00 0.44 0.97 -1.25 -0.92 0.00 0.00 175.35 174.59 1kld s PRO 96 N -0.31 4.60 -0.25 -1.68 0.04 -1.26 -1.53 135.00 134.60 1kld s PRO 96 Ca 0.25 1.43 -0.02 0.00 0.04 0.00 0.00 61.00 62.70 1kld s PRO 96 Cb -0.16 -2.91 0.11 0.00 0.04 0.00 0.00 34.50 31.58 1kld s PRO 96 CO 0.13 0.27 0.25 0.15 0.04 0.00 0.00 177.00 177.83 1kld s LYS 97 N -1.86 0.25 0.04 4.56 -0.14 -0.50 -4.93 119.74 117.16 1kld s LYS 97 Ca 0.49 -0.03 -0.18 0.00 -1.36 0.00 0.00 55.97 54.89 1kld s LYS 97 Cb -0.22 -0.95 -0.06 0.00 -1.68 0.00 0.00 37.83 34.92 1kld s LYS 97 CO 0.28 -0.86 0.52 0.08 -0.76 0.00 0.00 175.35 174.60 1kld s VAL 98 N 2.32 4.86 0.00 3.17 1.01 -1.26 -1.71 120.40 128.79 1kld s VAL 98 Ca 0.08 1.09 0.00 0.00 0.00 0.00 0.00 61.98 63.16 1kld s VAL 98 Cb -0.15 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.39 1kld s VAL 98 CO -0.24 0.54 0.00 1.21 0.00 0.00 0.00 175.10 176.61 1kld n GLU 99 N 1.90 0.00 -3.19 2.72 2.13 -1.20 -4.97 120.64 118.03 1kld n GLU 99 Ca -0.11 0.00 -0.17 0.00 0.66 0.00 0.00 57.16 57.54 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 1.23 0.89 0.44 5.31 -0.21 -1.25 -2.36 119.66 123.72 1kld s GLN 100 Ca 0.00 -1.46 -0.21 0.00 0.02 0.00 0.00 55.36 53.71 1kld s GLN 100 Cb 0.00 -0.80 -0.13 0.00 1.00 0.00 0.00 33.01 33.08 1kld s GLN 100 CO 0.00 -1.32 0.37 1.28 -2.12 0.00 0.00 175.29 173.50 1kld n LEU 101 N 3.23 -0.98 -4.86 2.90 4.77 0.14 -4.24 117.00 117.97 1kld n LEU 101 Ca 0.21 0.84 -0.33 0.00 -0.03 0.00 0.00 56.01 56.71 1kld n LEU 101 Cb 0.50 -1.04 -0.05 0.00 -2.33 0.00 0.00 43.42 40.50 1kld n LEU 101 CO 0.05 -3.41 -0.19 -0.55 -1.33 0.00 0.00 177.39 171.96 1kld s SER 102 N -1.00 6.12 -0.95 -1.43 0.15 -1.26 0.52 113.70 115.86 1kld s SER 102 Ca 0.62 0.27 -0.04 0.00 0.70 0.00 0.00 55.95 57.50 1kld s SER 102 Cb -0.59 -1.86 0.03 0.00 -1.71 0.00 0.00 66.02 61.89 1kld s SER 102 CO 0.59 0.26 0.18 0.59 1.20 0.00 0.00 173.24 176.07 1kld n ASN 103 N 0.96 -3.20 -1.53 5.45 5.03 -1.00 -4.76 115.26 116.21 1kld n ASN 103 Ca -0.11 0.01 0.03 0.00 0.87 0.00 0.00 54.58 55.38 1kld n ASN 103 Cb 0.52 -2.72 0.27 0.00 -1.02 0.00 0.00 39.78 36.83 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 -3.10 3.58 -3.90 3.52 1.56 0.20 -4.68 117.12 114.30 1kld n MET 104 Ca -0.06 -2.23 -0.09 0.00 -0.27 0.00 0.00 57.70 55.05 1kld n MET 104 Cb 0.56 -2.03 -0.05 0.00 2.15 0.00 0.00 33.22 33.85 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 -2.26 0.03 -0.08 1.12 1.01 -0.26 -4.76 121.20 116.01 1kld s ILE 105 Ca 0.39 -1.19 0.03 0.00 0.00 0.00 0.00 60.65 59.88 1kld s ILE 105 Cb 0.30 -1.90 -0.02 0.00 0.01 0.00 0.00 42.46 40.85 1kld s ILE 105 CO 0.11 -0.12 -0.16 -0.69 0.00 0.00 0.00 174.94 174.08 1kld s VAL 106 N -3.96 2.85 -0.01 2.92 1.01 -0.93 -1.86 120.40 120.42 1kld s VAL 106 Ca 0.16 -0.78 0.04 0.00 0.00 0.00 0.00 61.98 61.41 1kld s VAL 106 Cb 0.00 -2.13 -0.06 0.00 0.00 0.00 0.00 36.38 34.19 1kld s VAL 106 CO 0.03 0.57 0.09 -1.14 0.00 0.00 0.00 175.10 174.65 1kld n ARG 107 N 2.82 0.22 -3.64 2.72 0.00 -0.75 -4.84 116.66 113.21 1kld n ARG 107 Ca -0.17 -0.04 -0.08 0.00 -0.00 0.00 0.00 57.85 57.55 1kld n ARG 107 Cb 0.52 -1.09 -0.07 0.00 0.00 0.00 0.00 32.46 31.82 1kld n ARG 107 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1kld s SER 108 N -2.46 -0.40 0.19 6.15 0.15 -1.22 -4.05 113.70 112.08 1kld s SER 108 Ca -0.01 0.76 0.00 0.00 0.70 0.00 0.00 55.95 57.40 1kld s SER 108 Cb 0.03 0.77 0.01 0.00 -1.71 0.00 0.00 66.02 65.11 1kld s SER 108 CO 0.17 -0.13 0.04 0.00 1.20 0.00 0.00 173.24 174.52 1kld n LYS 110 N -1.07 0.00 -3.49 0.00 4.76 0.39 -4.17 118.16 114.58 1kld n LYS 110 Ca 0.01 0.00 -0.28 0.00 -2.87 0.00 0.00 58.31 55.17 1kld n LYS 110 Cb 0.03 0.00 -0.11 0.00 -1.84 0.00 0.00 35.03 33.10 1kld n LYS 110 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03