#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kpv s LYS 3 N 0.00 1.26 0.16 -1.09 1.02 0.30 -4.94 119.74 116.45 1kpv s LYS 3 Ca 0.00 -0.34 -0.29 0.00 0.02 0.00 0.00 55.97 55.36 1kpv s LYS 3 Cb 0.00 -1.12 -0.07 0.00 -0.52 0.00 0.00 37.83 36.12 1kpv s LYS 3 CO 0.00 0.08 0.90 0.99 -0.92 0.00 0.00 175.35 176.39 1kpv s THR 4 N 0.42 4.34 0.35 2.17 2.01 -1.26 -2.07 115.64 121.60 1kpv s THR 4 Ca -0.08 1.96 -0.27 0.00 0.31 0.00 0.00 61.69 63.61 1kpv s THR 4 Cb -0.12 -4.27 -0.09 0.00 0.01 0.00 0.00 72.50 68.03 1kpv s THR 4 CO 0.02 0.43 1.18 -2.16 -0.69 0.00 0.00 174.62 173.40 1kpv s PRO 5 N -0.66 4.31 0.03 4.92 0.04 -1.26 -4.56 135.00 137.82 1kpv s PRO 5 Ca 0.42 1.92 -0.21 0.00 0.04 0.00 0.00 61.00 63.17 1kpv s PRO 5 Cb -0.24 -2.93 -0.06 0.00 0.04 0.00 0.00 34.50 31.31 1kpv s PRO 5 CO 0.29 -0.12 0.62 -0.65 0.04 0.00 0.00 177.00 177.18 1kpv s GLN 6 N -1.92 4.33 -0.19 4.56 -1.52 0.11 -4.89 119.66 120.14 1kpv s GLN 6 Ca 0.51 0.80 0.01 0.00 -1.95 0.00 0.00 55.36 54.73 1kpv s GLN 6 Cb -0.33 -3.31 0.03 0.00 -0.22 0.00 0.00 33.01 29.18 1kpv s GLN 6 CO 0.43 0.44 -0.13 0.42 -0.25 0.00 0.00 175.29 176.20 1kpv s ILE 7 N -0.46 1.75 -0.12 1.08 1.01 -1.26 -0.52 121.20 122.67 1kpv s ILE 7 Ca 0.32 -0.96 0.03 0.00 0.00 0.00 0.00 60.65 60.04 1kpv s ILE 7 Cb -0.19 -1.73 0.01 0.00 0.01 0.00 0.00 42.46 40.56 1kpv s ILE 7 CO 0.19 0.29 -0.21 -1.10 0.00 0.00 0.00 174.94 174.11 1kpv s GLN 8 N 1.37 2.81 -0.14 2.79 -0.21 -0.14 -4.98 119.66 121.17 1kpv s GLN 8 Ca 0.01 -0.78 0.02 0.00 0.02 0.00 0.00 55.36 54.62 1kpv s GLN 8 Cb -0.15 -2.26 0.01 0.00 1.00 0.00 0.00 33.01 31.61 1kpv s GLN 8 CO -0.09 0.02 -0.20 0.08 -2.12 0.00 0.00 175.29 172.97 1kpv s VAL 9 N 0.74 2.21 -0.02 1.09 1.01 -1.26 -0.28 120.40 123.90 1kpv s VAL 9 Ca -0.10 -0.93 -0.30 0.00 0.00 0.00 0.00 61.98 60.66 1kpv s VAL 9 Cb -0.16 -1.90 0.07 0.00 0.00 0.00 0.00 36.38 34.40 1kpv s VAL 9 CO 0.01 0.54 0.68 -0.72 0.00 0.00 0.00 175.10 175.61 1kpv s TYR 10 N 0.80 -0.63 0.25 5.22 1.13 -0.57 -4.63 117.35 118.93 1kpv s TYR 10 Ca -0.07 0.97 -0.01 0.00 -1.41 0.00 0.00 57.07 56.55 1kpv s TYR 10 Cb -0.16 0.44 -0.04 0.00 -1.10 0.00 0.00 41.96 41.10 1kpv s TYR 10 CO -0.01 -0.64 0.46 -1.54 -2.51 0.00 0.00 175.55 171.31 1kpv s SER 11 N -1.46 6.38 0.14 -0.18 1.04 -1.26 -0.74 113.70 117.62 1kpv s SER 11 Ca -0.08 0.47 -0.14 0.00 0.48 0.00 0.00 55.95 56.68 1kpv s SER 11 Cb -0.00 -2.04 0.01 0.00 0.10 0.00 0.00 66.02 64.08 1kpv s SER 11 CO 0.06 -0.13 1.63 -0.09 0.98 0.00 0.00 173.24 175.68 1kpv h ARG 12 N 1.63 0.73 -6.53 4.02 9.65 -1.50 -3.45 114.38 118.93 1kpv h ARG 12 Ca -0.48 -0.19 -0.64 0.00 -1.10 0.00 0.00 59.98 57.56 1kpv h ARG 12 Cb 1.20 -0.09 -0.17 0.00 -1.39 0.00 0.00 29.97 29.52 1kpv h ARG 12 CO 0.66 0.75 -0.78 -1.01 2.80 0.00 0.00 179.97 182.39 1kpv s HIS 13 N -5.23 2.45 0.27 2.20 3.76 -1.26 -5.03 115.29 112.44 1kpv s HIS 13 Ca -0.13 -0.30 -0.31 0.00 -0.15 0.00 0.00 55.06 54.18 1kpv s HIS 13 Cb 0.11 -1.21 -0.12 0.00 1.11 0.00 0.00 32.58 32.47 1kpv s HIS 13 CO 0.79 0.51 1.53 -2.30 -0.85 0.00 0.00 174.74 174.41 1kpv n PRO 14 N 0.16 2.43 -2.10 8.40 -0.02 -1.26 -4.84 135.00 137.76 1kpv n PRO 14 Ca -0.12 0.87 -0.42 0.00 -2.02 0.00 0.00 63.50 61.81 1kpv n PRO 14 Cb 0.56 -2.60 -0.03 0.00 -0.02 0.00 0.00 33.50 31.41 1kpv n PRO 14 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1kpv s PRO 15 N -0.37 4.29 -0.11 0.52 0.04 -1.26 -5.02 135.00 133.09 1kpv s PRO 15 Ca 0.66 2.16 -0.00 0.00 0.04 0.00 0.00 61.00 63.86 1kpv s PRO 15 Cb -0.56 -3.22 0.03 0.00 0.04 0.00 0.00 34.50 30.79 1kpv s PRO 15 CO 0.48 -0.48 -0.07 -1.21 0.04 0.00 0.00 177.00 175.76 1kpv s GLU 16 N 1.07 1.47 0.20 4.56 2.02 -1.26 -5.11 118.70 121.64 1kpv s GLU 16 Ca 0.66 -0.23 -0.32 0.00 0.02 0.00 0.00 54.97 55.09 1kpv s GLU 16 Cb -0.39 -1.56 -0.14 0.00 0.10 0.00 0.00 34.13 32.14 1kpv s GLU 16 CO 0.31 -0.27 1.36 0.09 0.02 0.00 0.00 175.26 176.77 1kpv n ASN 17 N 4.96 2.37 0.00 -0.19 3.02 -1.26 -1.58 115.26 122.58 1kpv n ASN 17 Ca -0.12 1.13 0.00 0.00 -0.03 0.00 0.00 54.58 55.56 1kpv n ASN 17 Cb 0.50 -1.36 0.00 0.00 -0.61 0.00 0.00 39.78 38.31 1kpv n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1kpv n GLY 18 N 2.30 1.66 3.46 7.41 0.00 -0.51 -5.00 105.19 114.50 1kpv n GLY 18 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 1kpv n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1kpv s LYS 19 N -0.27 3.65 0.53 1.61 2.20 -0.62 -4.99 119.74 121.85 1kpv s LYS 19 Ca 0.00 -0.50 -0.21 0.00 -0.36 0.00 0.00 55.97 54.90 1kpv s LYS 19 Cb 0.00 -3.14 -0.06 0.00 -1.51 0.00 0.00 37.83 33.12 1kpv s LYS 19 CO 0.00 -0.01 1.14 -2.30 -0.36 0.00 0.00 175.35 173.82 1kpv n PRO 20 N 4.33 1.36 -1.72 4.03 -0.02 -1.26 -4.22 135.00 137.50 1kpv n PRO 20 Ca -0.17 0.50 -0.02 0.00 -2.02 0.00 0.00 63.50 61.79 1kpv n PRO 20 Cb 0.52 -2.31 -0.00 0.00 -0.02 0.00 0.00 33.50 31.69 1kpv n PRO 20 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1kpv n ASN 21 N -0.51 -0.28 -3.85 2.55 2.85 0.78 -4.97 115.26 111.84 1kpv n ASN 21 Ca 0.11 -1.28 -0.18 0.00 -0.11 0.00 0.00 54.58 53.13 1kpv n ASN 21 Cb 0.44 0.49 -0.16 0.00 1.24 0.00 0.00 39.78 41.79 1kpv n ASN 21 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1kpv s ILE 22 N -2.66 0.29 -0.15 -1.44 1.01 -1.26 -1.36 121.20 115.63 1kpv s ILE 22 Ca 0.04 0.01 -0.06 0.00 0.00 0.00 0.00 60.65 60.63 1kpv s ILE 22 Cb -0.00 -0.35 -0.04 0.00 0.01 0.00 0.00 42.46 42.07 1kpv s ILE 22 CO 0.03 0.16 0.07 -0.22 0.00 0.00 0.00 174.94 174.98 1kpv s LEU 23 N 0.90 3.90 -0.00 2.97 2.96 0.57 -1.09 118.68 128.89 1kpv s LEU 23 Ca -0.10 0.19 0.08 0.00 -0.22 0.00 0.00 54.13 54.08 1kpv s LEU 23 Cb -0.13 -1.96 -0.02 0.00 0.50 0.00 0.00 46.19 44.58 1kpv s LEU 23 CO -0.01 0.28 -0.25 0.20 -1.32 0.00 0.00 176.35 175.24 1kpv s ASN 24 N -0.25 3.14 -0.27 3.68 0.01 0.08 -1.23 114.94 120.10 1kpv s ASN 24 Ca 0.08 -0.49 0.01 0.00 -0.71 0.00 0.00 52.86 51.75 1kpv s ASN 24 Cb -0.12 -0.35 0.08 0.00 0.41 0.00 0.00 41.25 41.26 1kpv s ASN 24 CO 0.01 0.30 -0.00 0.00 -1.51 0.00 0.00 177.10 175.91 1kpv s TYR 26 N 1.32 3.21 -0.24 0.00 5.04 0.62 -1.32 117.35 125.98 1kpv s TYR 26 Ca 0.01 -0.10 -0.04 0.00 -2.44 0.00 0.00 57.07 54.51 1kpv s TYR 26 Cb -0.19 -2.40 0.00 0.00 0.35 0.00 0.00 41.96 39.73 1kpv s TYR 26 CO -0.10 -0.27 -0.03 0.08 -1.34 0.00 0.00 175.55 173.89 1kpv s VAL 27 N 1.72 3.33 0.21 3.14 1.01 -0.23 -0.97 120.40 128.61 1kpv s VAL 27 Ca 0.06 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.37 1kpv s VAL 27 Cb -0.16 -2.60 -0.05 0.00 0.00 0.00 0.00 36.38 33.57 1kpv s VAL 27 CO 0.10 0.30 0.08 0.42 0.00 0.00 0.00 175.10 176.00 1kpv s THR 28 N 1.44 0.35 -1.44 3.92 -4.23 0.32 -1.44 115.64 114.56 1kpv s THR 28 Ca 0.04 -1.98 -0.08 0.00 -1.18 0.00 0.00 61.69 58.49 1kpv s THR 28 Cb -0.15 -2.43 0.01 0.00 1.34 0.00 0.00 72.50 71.27 1kpv s THR 28 CO -0.03 -0.15 0.97 0.00 -0.54 0.00 0.00 174.62 174.88 1kpv n GLN 29 N -0.32 -6.80 -4.30 3.99 6.02 -0.20 0.05 117.38 115.82 1kpv n GLN 29 Ca -0.01 0.86 -0.25 0.00 -0.01 0.00 0.00 57.00 57.58 1kpv n GLN 29 Cb 0.65 -5.84 -0.08 0.00 1.02 0.00 0.00 30.24 25.99 1kpv n GLN 29 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 177.06 175.46 1kpv s PHE 30 N -3.27 2.65 -0.29 1.08 -0.71 -1.09 -4.25 117.98 112.10 1kpv s PHE 30 Ca 0.49 -0.22 -0.21 0.00 -1.04 0.00 0.00 56.93 55.94 1kpv s PHE 30 Cb -0.22 -1.24 0.13 0.00 -1.21 0.00 0.00 43.02 40.48 1kpv s PHE 30 CO 0.60 0.56 1.00 -1.58 -1.34 0.00 0.00 175.22 174.47 1kpv s HIS 31 N -1.98 -0.53 1.01 3.49 2.46 -0.88 -0.68 115.29 118.19 1kpv s HIS 31 Ca 0.28 1.18 -0.14 0.00 0.47 0.00 0.00 55.06 56.84 1kpv s HIS 31 Cb -0.08 0.37 0.19 0.00 -0.13 0.00 0.00 32.58 32.93 1kpv s HIS 31 CO 0.17 -0.26 1.14 -1.25 -2.47 0.00 0.00 174.74 172.07 1kpv s PRO 32 N 0.72 0.33 0.44 2.88 0.04 -1.26 -0.54 135.00 137.62 1kpv s PRO 32 Ca -0.02 0.20 0.21 0.00 0.04 0.00 0.00 61.00 61.43 1kpv s PRO 32 Cb -0.04 -1.75 1.03 0.00 0.04 0.00 0.00 34.50 33.77 1kpv s PRO 32 CO -0.10 -2.73 1.91 -1.00 0.04 0.00 0.00 177.00 175.12 1kpv h PRO 33 N -1.88 0.00 -6.46 0.56 0.13 -1.99 -3.44 132.00 118.92 1kpv h PRO 33 Ca -0.50 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.07 1kpv h PRO 33 Cb 1.32 0.00 0.04 0.00 0.13 0.00 0.00 31.00 32.49 1kpv h PRO 33 CO 0.52 0.25 1.04 1.58 -0.23 0.00 0.00 178.00 181.17 1kpv n HIS 34 N -3.73 2.49 -3.49 1.56 -0.00 -1.26 -4.95 115.22 105.84 1kpv n HIS 34 Ca -0.01 -0.03 -0.15 0.00 0.46 0.00 0.00 57.72 57.98 1kpv n HIS 34 Cb 0.36 -2.68 -0.05 0.00 -0.12 0.00 0.00 29.99 27.50 1kpv n HIS 34 CO 0.00 0.00 0.00 -1.50 0.46 0.00 0.00 176.34 175.30 1kpv s ILE 35 N 2.63 0.00 -0.10 3.57 2.07 -1.26 -4.63 121.20 123.48 1kpv s ILE 35 Ca 0.84 0.00 0.03 0.00 -1.41 0.00 0.00 60.65 60.11 1kpv s ILE 35 Cb -0.57 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.03 1kpv s ILE 35 CO 0.40 0.00 -0.21 -0.70 -1.91 0.00 0.00 174.94 172.53 1kpv s GLU 36 N -2.11 2.71 -0.08 3.50 2.12 -0.65 -4.99 118.70 119.19 1kpv s GLU 36 Ca -0.06 -0.76 0.01 0.00 0.36 0.00 0.00 54.97 54.52 1kpv s GLU 36 Cb -0.00 -2.09 0.02 0.00 0.26 0.00 0.00 34.13 32.32 1kpv s GLU 36 CO 0.01 0.12 -0.09 0.42 -0.54 0.00 0.00 175.26 175.19 1kpv s ILE 37 N 0.48 0.98 -0.03 -3.70 1.01 -1.26 -0.88 121.20 117.80 1kpv s ILE 37 Ca -0.16 -0.33 0.02 0.00 0.00 0.00 0.00 60.65 60.18 1kpv s ILE 37 Cb -0.17 -0.96 0.01 0.00 0.01 0.00 0.00 42.46 41.34 1kpv s ILE 37 CO 0.06 0.34 -0.09 -1.10 0.00 0.00 0.00 174.94 174.16 1kpv s GLN 38 N 1.21 1.04 -0.10 2.79 -0.21 -0.02 -4.99 119.66 119.38 1kpv s GLN 38 Ca -0.05 -0.29 -0.09 0.00 0.02 0.00 0.00 55.36 54.95 1kpv s GLN 38 Cb -0.14 -0.96 -0.04 0.00 1.00 0.00 0.00 33.01 32.87 1kpv s GLN 38 CO -0.02 0.08 0.20 -1.64 -2.12 0.00 0.00 175.29 171.78 1kpv s MET 39 N 0.36 3.59 -0.01 2.91 -1.94 -1.26 -0.11 119.30 122.83 1kpv s MET 39 Ca -0.06 -0.02 0.05 0.00 -1.71 0.00 0.00 55.69 53.95 1kpv s MET 39 Cb -0.10 -3.21 -0.01 0.00 2.01 0.00 0.00 34.83 33.51 1kpv s MET 39 CO 0.01 0.73 -0.17 -0.51 -0.01 0.00 0.00 175.02 175.07 1kpv s LEU 40 N -0.94 2.03 -0.17 -0.03 1.43 0.74 -1.23 118.68 120.51 1kpv s LEU 40 Ca 0.16 -0.31 0.01 0.00 -1.03 0.00 0.00 54.13 52.96 1kpv s LEU 40 Cb -0.13 -0.88 0.02 0.00 0.03 0.00 0.00 46.19 45.23 1kpv s LEU 40 CO 0.06 0.21 -0.18 -0.75 0.23 0.00 0.00 176.35 175.91 1kpv s LYS 41 N -0.39 2.77 -1.61 1.70 2.20 -0.06 -1.44 119.74 122.92 1kpv s LYS 41 Ca 0.06 -0.76 -0.14 0.00 -0.36 0.00 0.00 55.97 54.77 1kpv s LYS 41 Cb -0.07 -2.44 0.11 0.00 -1.51 0.00 0.00 37.83 33.92 1kpv s LYS 41 CO -0.01 -0.23 0.81 0.09 -0.36 0.00 0.00 175.35 175.66 1kpv n ASN 42 N 4.66 -3.39 0.00 1.43 3.02 0.11 -0.89 115.26 120.19 1kpv n ASN 42 Ca -0.20 -0.93 0.00 0.00 -0.03 0.00 0.00 54.58 53.42 1kpv n ASN 42 Cb 0.50 -3.18 0.00 0.00 -0.61 0.00 0.00 39.78 36.48 1kpv n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1kpv n GLY 43 N -1.57 0.98 3.48 7.41 0.00 -1.26 -5.01 105.19 109.22 1kpv n GLY 43 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 1kpv n GLY 43 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1kpv s LYS 44 N -0.01 2.73 0.27 1.61 2.20 -0.07 -5.04 119.74 121.43 1kpv s LYS 44 Ca 0.00 -0.66 -0.30 0.00 -0.36 0.00 0.00 55.97 54.64 1kpv s LYS 44 Cb 0.00 -2.47 -0.13 0.00 -1.51 0.00 0.00 37.83 33.72 1kpv s LYS 44 CO 0.00 0.55 1.44 1.17 -0.36 0.00 0.00 175.35 178.15 1kpv n LYS 45 N 2.53 2.23 -3.15 4.03 4.81 -1.26 -0.88 118.16 126.48 1kpv n LYS 45 Ca -0.17 0.79 -0.40 0.00 -0.87 0.00 0.00 58.31 57.66 1kpv n LYS 45 Cb 0.52 -2.47 -0.06 0.00 0.02 0.00 0.00 35.03 33.04 1kpv n LYS 45 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1kpv s ILE 46 N -0.22 5.05 0.51 3.15 1.01 -0.36 -4.81 121.20 125.52 1kpv s ILE 46 Ca 0.65 1.15 -0.17 0.00 0.00 0.00 0.00 60.65 62.27 1kpv s ILE 46 Cb -0.59 -3.92 -0.08 0.00 0.01 0.00 0.00 42.46 37.87 1kpv s ILE 46 CO 0.51 0.14 0.99 -2.16 0.00 0.00 0.00 174.94 174.42 1kpv s PRO 47 N 1.73 3.95 -1.21 2.79 0.04 -1.26 -4.22 135.00 136.82 1kpv s PRO 47 Ca 0.28 1.01 -0.03 0.00 0.04 0.00 0.00 61.00 62.30 1kpv s PRO 47 Cb -0.16 -2.13 0.00 0.00 0.04 0.00 0.00 34.50 32.25 1kpv s PRO 47 CO 0.11 -0.27 0.46 1.63 0.04 0.00 0.00 177.00 178.96 1kpv n LYS 48 N -1.44 -3.75 -2.40 4.56 5.02 -1.26 -4.97 118.16 113.92 1kpv n LYS 48 Ca 0.07 0.71 -0.39 0.00 -2.02 0.00 0.00 58.31 56.67 1kpv n LYS 48 Cb 0.54 -5.14 -0.04 0.00 -0.02 0.00 0.00 35.03 30.37 1kpv n LYS 48 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1kpv s VAL 49 N -3.03 3.35 -0.14 -0.18 1.01 -1.26 -4.96 120.40 115.19 1kpv s VAL 49 Ca 0.23 1.27 -0.14 0.00 0.00 0.00 0.00 61.98 63.33 1kpv s VAL 49 Cb -0.10 -3.77 -0.05 0.00 0.00 0.00 0.00 36.38 32.46 1kpv s VAL 49 CO 0.28 0.23 0.33 -0.70 0.00 0.00 0.00 175.10 175.24 1kpv s GLU 50 N -1.80 4.20 -0.16 2.72 2.56 0.02 -4.89 118.70 121.36 1kpv s GLU 50 Ca 0.49 0.17 -0.10 0.00 0.00 0.00 0.00 54.97 55.54 1kpv s GLU 50 Cb -0.31 -3.40 -0.05 0.00 2.00 0.00 0.00 34.13 32.37 1kpv s GLU 50 CO 0.40 0.30 0.17 -1.64 -0.56 0.00 0.00 175.26 173.93 1kpv s MET 51 N 0.27 3.92 0.37 4.30 -1.94 -1.26 -0.79 119.30 124.16 1kpv s MET 51 Ca 0.19 -0.12 -0.12 0.00 -1.71 0.00 0.00 55.69 53.93 1kpv s MET 51 Cb -0.14 -3.33 0.04 0.00 2.01 0.00 0.00 34.83 33.41 1kpv s MET 51 CO 0.06 0.48 0.70 -1.54 -0.01 0.00 0.00 175.02 174.71 1kpv s SER 52 N -0.19 0.25 -1.49 3.03 1.04 0.16 -4.97 113.70 111.53 1kpv s SER 52 Ca 0.12 -1.22 -0.10 0.00 0.48 0.00 0.00 55.95 55.23 1kpv s SER 52 Cb -0.12 0.80 0.07 0.00 0.10 0.00 0.00 66.02 66.86 1kpv s SER 52 CO 0.02 -1.57 0.89 0.47 0.98 0.00 0.00 173.24 174.03 1kpv n ASP 53 N -1.38 -3.77 -4.69 7.02 8.00 -1.26 -0.74 116.55 119.73 1kpv n ASP 53 Ca -0.06 -0.81 -0.42 0.00 0.71 0.00 0.00 54.79 54.21 1kpv n ASP 53 Cb 0.60 -3.84 -0.03 0.00 -0.02 0.00 0.00 41.12 37.84 1kpv n ASP 53 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 1kpv s MET 54 N -6.50 4.40 0.32 -1.24 1.75 -1.26 -4.14 119.30 112.64 1kpv s MET 54 Ca 0.50 1.51 -0.13 0.00 -1.25 0.00 0.00 55.69 56.32 1kpv s MET 54 Cb -0.25 -3.54 0.02 0.00 2.84 0.00 0.00 34.83 33.90 1kpv s MET 54 CO 0.83 -0.36 0.63 -1.54 -0.65 0.00 0.00 175.02 173.94 1kpv s SER 55 N 1.24 0.13 0.10 1.11 1.04 -0.48 -5.01 113.70 111.82 1kpv s SER 55 Ca 0.52 -1.06 0.04 0.00 0.48 0.00 0.00 55.95 55.92 1kpv s SER 55 Cb -0.21 0.72 -0.04 0.00 0.10 0.00 0.00 66.02 66.60 1kpv s SER 55 CO 0.20 -1.41 -0.11 0.72 0.98 0.00 0.00 173.24 173.63 1kpv s PHE 56 N -3.19 1.09 0.67 5.02 -0.71 -1.26 -0.98 117.98 118.63 1kpv s PHE 56 Ca 0.20 -0.63 -0.04 0.00 -1.04 0.00 0.00 56.93 55.42 1kpv s PHE 56 Cb -0.03 -0.60 0.14 0.00 -1.21 0.00 0.00 43.02 41.32 1kpv s PHE 56 CO 0.12 0.02 0.92 -1.13 -1.34 0.00 0.00 175.22 173.80 1kpv n SER 57 N 0.63 0.83 0.19 1.98 3.41 -0.13 -4.90 113.62 115.63 1kpv n SER 57 Ca -0.17 -1.79 0.15 0.00 -0.26 0.00 0.00 58.87 56.80 1kpv n SER 57 Cb 0.57 -0.63 0.77 0.00 -0.26 0.00 0.00 64.21 64.66 1kpv n SER 57 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 1kpv h LYS 58 N 0.00 0.00 -0.53 4.33 2.10 -2.02 -0.25 116.57 120.20 1kpv h LYS 58 Ca -0.30 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.35 1kpv h LYS 58 Cb 1.02 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.35 1kpv h LYS 58 CO 0.29 0.00 0.00 -0.40 -2.00 0.00 0.00 179.45 177.34 1kpv n ASP 59 N -4.08 2.86 0.00 7.07 5.75 -1.26 -4.92 116.55 121.97 1kpv n ASP 59 Ca 0.01 -2.09 0.00 0.00 -0.01 0.00 0.00 54.79 52.71 1kpv n ASP 59 Cb 0.29 -0.37 0.00 0.00 -1.03 0.00 0.00 41.12 40.00 1kpv n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1kpv n TRP 60 N 0.88 0.00 -2.21 2.11 7.02 -0.11 -5.01 117.44 120.12 1kpv n TRP 60 Ca 0.17 0.00 -0.35 0.00 -1.02 0.00 0.00 57.50 56.30 1kpv n TRP 60 Cb 0.48 -0.30 0.01 0.00 -2.42 0.00 0.00 31.31 29.08 1kpv n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1kpv s SER 61 N -2.73 5.68 0.28 -0.99 1.04 -1.26 -4.63 113.70 111.09 1kpv s SER 61 Ca 0.00 2.14 -0.17 0.00 0.48 0.00 0.00 55.95 58.40 1kpv s SER 61 Cb 0.00 -2.58 -0.09 0.00 0.10 0.00 0.00 66.02 63.46 1kpv s SER 61 CO 0.00 -1.24 0.73 -0.36 0.98 0.00 0.00 173.24 173.35 1kpv s PHE 62 N -1.85 3.49 -0.00 5.02 0.40 0.15 -0.96 117.98 124.23 1kpv s PHE 62 Ca 0.72 1.29 0.03 0.00 -0.60 0.00 0.00 56.93 58.36 1kpv s PHE 62 Cb -0.23 -2.57 -0.01 0.00 0.51 0.00 0.00 43.02 40.72 1kpv s PHE 62 CO 0.28 0.20 -0.08 0.71 0.70 0.00 0.00 175.22 177.03 1kpv s TYR 63 N -1.78 0.74 -0.16 0.36 1.51 -0.15 -1.04 117.35 116.83 1kpv s TYR 63 Ca 0.49 -0.16 -0.27 0.00 -1.01 0.00 0.00 57.07 56.12 1kpv s TYR 63 Cb -0.13 -0.47 0.07 0.00 -0.11 0.00 0.00 41.96 41.32 1kpv s TYR 63 CO 0.19 -0.01 0.68 -1.50 -1.11 0.00 0.00 175.55 173.80 1kpv s ILE 64 N -0.27 0.00 -0.12 2.71 2.07 -0.52 -1.39 121.20 123.68 1kpv s ILE 64 Ca 0.02 -0.01 -0.01 0.00 -1.41 0.00 0.00 60.65 59.24 1kpv s ILE 64 Cb -0.04 -0.98 -0.02 0.00 0.13 0.00 0.00 42.46 41.55 1kpv s ILE 64 CO -0.00 -0.01 -0.09 -0.22 -1.91 0.00 0.00 174.94 172.72 1kpv s LEU 65 N -0.37 2.99 -0.12 8.50 2.96 0.08 -1.07 118.68 131.64 1kpv s LEU 65 Ca -0.05 -0.19 -0.02 0.00 -0.22 0.00 0.00 54.13 53.64 1kpv s LEU 65 Cb -0.03 -1.68 -0.03 0.00 0.50 0.00 0.00 46.19 44.95 1kpv s LEU 65 CO 0.05 0.22 -0.04 0.00 -1.32 0.00 0.00 176.35 175.25 1kpv s ALA 66 N 0.06 3.02 0.06 5.97 0.00 -0.43 0.38 121.76 130.82 1kpv s ALA 66 Ca -0.03 -0.84 -0.12 0.00 0.00 0.00 0.00 51.96 50.98 1kpv s ALA 66 Cb -0.14 -1.45 0.01 0.00 0.00 0.00 0.00 23.12 21.54 1kpv s ALA 66 CO 0.04 0.35 0.27 -3.38 0.00 0.00 0.00 175.76 173.03 1kpv s HIS 67 N -0.08 -0.03 -0.06 0.00 -3.43 0.03 -0.58 115.29 111.14 1kpv s HIS 67 Ca 0.02 -0.20 -0.20 0.00 -0.80 0.00 0.00 55.06 53.88 1kpv s HIS 67 Cb -0.13 0.06 0.04 0.00 -1.43 0.00 0.00 32.58 31.12 1kpv s HIS 67 CO 0.03 -0.52 0.44 -0.08 -2.00 0.00 0.00 174.74 172.61 1kpv s THR 68 N -2.96 0.03 0.39 -5.38 -1.32 -0.36 -0.80 115.64 105.24 1kpv s THR 68 Ca -0.02 -0.25 -0.25 0.00 -1.21 0.00 0.00 61.69 59.96 1kpv s THR 68 Cb 0.01 -0.73 -0.09 0.00 -1.51 0.00 0.00 72.50 70.18 1kpv s THR 68 CO -0.06 -0.14 1.08 -1.61 -2.21 0.00 0.00 174.62 171.69 1kpv s GLU 69 N -0.98 4.18 -0.06 7.08 2.02 -1.26 -0.32 118.70 129.37 1kpv s GLU 69 Ca -0.10 1.63 -0.31 0.00 0.02 0.00 0.00 54.97 56.21 1kpv s GLU 69 Cb -0.03 -2.65 0.08 0.00 0.10 0.00 0.00 34.13 31.63 1kpv s GLU 69 CO 0.05 -0.15 0.72 -0.59 0.02 0.00 0.00 175.26 175.31 1kpv s PHE 70 N -1.54 -0.62 -0.33 1.61 -0.71 -0.47 -4.83 117.98 111.09 1kpv s PHE 70 Ca 0.56 1.06 -0.02 0.00 -1.04 0.00 0.00 56.93 57.49 1kpv s PHE 70 Cb -0.25 0.42 0.06 0.00 -1.21 0.00 0.00 43.02 42.04 1kpv s PHE 70 CO 0.32 -0.58 0.06 0.99 -1.34 0.00 0.00 175.22 174.67 1kpv s THR 71 N -1.22 3.13 0.75 -4.49 2.01 -1.26 -0.16 115.64 114.40 1kpv s THR 71 Ca -0.10 -1.54 -0.15 0.00 0.31 0.00 0.00 61.69 60.21 1kpv s THR 71 Cb -0.00 -2.90 0.05 0.00 0.01 0.00 0.00 72.50 69.67 1kpv s THR 71 CO 0.09 -0.27 1.21 -2.16 -0.69 0.00 0.00 174.62 172.80 1kpv s PRO 72 N 1.23 1.98 0.24 4.92 0.04 -1.26 -4.77 135.00 137.38 1kpv s PRO 72 Ca -0.01 1.78 0.02 0.00 0.04 0.00 0.00 61.00 62.83 1kpv s PRO 72 Cb -0.20 -1.81 -0.05 0.00 0.04 0.00 0.00 34.50 32.47 1kpv s PRO 72 CO -0.02 -1.96 0.05 0.95 0.04 0.00 0.00 177.00 176.06 1kpv s THR 73 N -2.00 0.77 0.45 1.26 -4.23 -1.26 -1.43 115.64 109.20 1kpv s THR 73 Ca 0.75 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 59.43 1kpv s THR 73 Cb -0.30 -2.46 0.21 0.00 1.34 0.00 0.00 72.50 71.30 1kpv s THR 73 CO 0.47 -0.19 2.02 -0.08 -0.54 0.00 0.00 174.62 176.30 1kpv h GLU 74 N 2.45 0.00 0.00 3.99 4.81 -1.97 -3.29 114.58 120.57 1kpv h GLU 74 Ca -0.38 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 58.52 1kpv h GLU 74 Cb 1.23 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.55 1kpv h GLU 74 CO 0.63 0.16 -1.99 0.25 -0.73 0.00 0.00 179.01 177.33 1kpv n THR 75 N -4.14 1.53 -2.05 0.32 -2.24 -1.26 -4.96 114.28 101.47 1kpv n THR 75 Ca -0.02 -0.81 -0.41 0.00 -2.27 0.00 0.00 64.05 60.53 1kpv n THR 75 Cb 0.24 -0.84 -0.02 0.00 -2.10 0.00 0.00 70.33 67.60 1kpv n THR 75 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1kpv s ASP 76 N -5.89 6.69 0.10 3.42 1.01 -1.24 -5.03 116.67 115.73 1kpv s ASP 76 Ca -0.08 2.67 0.07 0.00 0.71 0.00 0.00 52.55 55.93 1kpv s ASP 76 Cb 0.07 -2.63 -0.04 0.00 1.01 0.00 0.00 42.92 41.33 1kpv s ASP 76 CO 0.82 -0.64 -0.11 0.42 0.21 0.00 0.00 175.17 175.87 1kpv s THR 77 N -0.42 3.29 0.03 -1.27 -4.23 -1.26 -4.77 115.64 107.01 1kpv s THR 77 Ca 0.55 -1.28 0.02 0.00 -1.18 0.00 0.00 61.69 59.80 1kpv s THR 77 Cb -0.41 -2.53 -0.02 0.00 1.34 0.00 0.00 72.50 70.89 1kpv s THR 77 CO 0.47 0.13 -0.07 -0.31 -0.54 0.00 0.00 174.62 174.29 1kpv s TYR 78 N -1.19 0.65 0.24 3.99 1.51 -1.26 -0.71 117.35 120.57 1kpv s TYR 78 Ca 0.21 -0.37 -0.11 0.00 -1.01 0.00 0.00 57.07 55.79 1kpv s TYR 78 Cb -0.11 -0.39 -0.01 0.00 -0.11 0.00 0.00 41.96 41.34 1kpv s TYR 78 CO 0.13 -0.05 0.43 0.00 -1.11 0.00 0.00 175.55 174.95 1kpv s ALA 79 N -0.97 -0.06 -0.11 3.71 0.00 -0.52 -0.84 121.76 122.97 1kpv s ALA 79 Ca -0.06 -0.98 0.01 0.00 0.00 0.00 0.00 51.96 50.93 1kpv s ALA 79 Cb -0.07 1.11 0.02 0.00 0.00 0.00 0.00 23.12 24.17 1kpv s ALA 79 CO 0.00 -0.82 -0.12 0.00 0.00 0.00 0.00 175.76 174.82 1kpv s ARG 81 N 1.22 3.52 -0.03 0.00 3.52 0.85 -0.51 118.95 127.51 1kpv s ARG 81 Ca -0.03 -0.60 0.04 0.00 -0.13 0.00 0.00 55.73 55.01 1kpv s ARG 81 Cb -0.14 -2.78 -0.00 0.00 -1.56 0.00 0.00 34.95 30.47 1kpv s ARG 81 CO -0.04 0.22 -0.16 0.08 -0.81 0.00 0.00 175.30 174.58 1kpv s VAL 82 N 0.39 1.35 -0.14 7.11 1.01 0.07 -0.84 120.40 129.36 1kpv s VAL 82 Ca -0.07 -0.69 0.03 0.00 0.00 0.00 0.00 61.98 61.25 1kpv s VAL 82 Cb -0.15 -1.15 0.01 0.00 0.00 0.00 0.00 36.38 35.08 1kpv s VAL 82 CO 0.04 0.39 -0.22 -0.54 0.00 0.00 0.00 175.10 174.77 1kpv s LYS 83 N -0.05 3.03 0.03 2.72 1.02 -0.06 -1.02 119.74 125.40 1kpv s LYS 83 Ca -0.01 -0.86 -0.11 0.00 0.02 0.00 0.00 55.97 55.02 1kpv s LYS 83 Cb -0.10 -2.42 0.01 0.00 -0.52 0.00 0.00 37.83 34.80 1kpv s LYS 83 CO 0.01 0.01 0.22 -1.58 -0.92 0.00 0.00 175.35 173.09 1kpv s HIS 84 N 0.76 -0.00 0.43 3.18 2.46 -1.26 -1.64 115.29 119.21 1kpv s HIS 84 Ca -0.08 -0.15 0.39 0.00 0.47 0.00 0.00 55.06 55.68 1kpv s HIS 84 Cb -0.16 0.00 1.94 0.00 -0.13 0.00 0.00 32.58 34.24 1kpv s HIS 84 CO -0.01 -0.42 2.20 -0.44 -2.47 0.00 0.00 174.74 173.60 1kpv h ASP 85 N 3.56 0.00 0.92 9.88 5.19 -1.94 -2.04 116.42 132.00 1kpv h ASP 85 Ca -0.32 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.09 1kpv h ASP 85 Cb 1.19 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.70 1kpv h ASP 85 CO 0.46 0.01 0.00 -1.54 -3.12 0.00 0.00 179.24 175.05 1kpv n SER 86 N -3.14 0.58 -4.35 6.45 3.41 -1.26 -4.73 113.62 110.59 1kpv n SER 86 Ca -0.02 0.61 -0.32 0.00 -0.26 0.00 0.00 58.87 58.89 1kpv n SER 86 Cb 0.18 -0.75 -0.15 0.00 -0.26 0.00 0.00 64.21 63.23 1kpv n SER 86 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1kpv s MET 87 N -3.20 2.54 0.13 4.33 -1.94 -0.77 -4.95 119.30 115.44 1kpv s MET 87 Ca 0.07 -0.83 -0.13 0.00 -1.71 0.00 0.00 55.69 53.09 1kpv s MET 87 Cb 0.11 -2.25 -0.02 0.00 2.01 0.00 0.00 34.83 34.68 1kpv s MET 87 CO 0.44 0.47 1.55 0.00 -0.01 0.00 0.00 175.02 177.47 1kpv h ALA 88 N 5.82 0.58 -3.40 3.03 0.00 -1.84 -3.44 119.26 120.00 1kpv h ALA 88 Ca -0.37 -0.31 -0.65 0.00 0.00 0.00 0.00 54.91 53.58 1kpv h ALA 88 Cb 1.16 -0.15 -0.16 0.00 0.00 0.00 0.00 17.79 18.64 1kpv h ALA 88 CO 0.49 0.43 -0.76 -1.21 0.00 0.00 0.00 179.25 178.20 1kpv s GLU 89 N -4.86 1.95 0.53 0.00 0.41 -1.26 -5.10 118.70 110.37 1kpv s GLU 89 Ca -0.12 -1.19 -0.22 0.00 -0.41 0.00 0.00 54.97 53.02 1kpv s GLU 89 Cb 0.11 -2.16 -0.06 0.00 -1.78 0.00 0.00 34.13 30.24 1kpv s GLU 89 CO 0.82 0.47 1.24 -2.30 -0.49 0.00 0.00 175.26 175.00 1kpv n PRO 90 N 0.48 1.54 -4.00 0.39 -0.02 -1.26 -4.88 135.00 127.24 1kpv n PRO 90 Ca -0.13 0.57 -0.35 0.00 -2.02 0.00 0.00 63.50 61.56 1kpv n PRO 90 Cb 0.54 -2.43 -0.12 0.00 -0.02 0.00 0.00 33.50 31.47 1kpv n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1kpv s LYS 91 N -2.70 3.64 -0.26 -0.52 2.20 -0.19 -4.93 119.74 116.98 1kpv s LYS 91 Ca 0.70 -0.50 -0.07 0.00 -0.36 0.00 0.00 55.97 55.74 1kpv s LYS 91 Cb -0.44 -3.14 -0.01 0.00 -1.51 0.00 0.00 37.83 32.73 1kpv s LYS 91 CO 0.50 -0.02 0.06 0.99 -0.36 0.00 0.00 175.35 176.53 1kpv s THR 92 N 1.10 4.11 -0.24 3.43 2.01 -1.26 -0.75 115.64 124.04 1kpv s THR 92 Ca 0.03 -0.38 -0.03 0.00 0.31 0.00 0.00 61.69 61.62 1kpv s THR 92 Cb -0.14 -2.98 0.01 0.00 0.01 0.00 0.00 72.50 69.39 1kpv s THR 92 CO 0.02 0.26 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.47 1kpv s VAL 93 N 1.56 3.15 0.32 3.82 1.01 0.33 -4.96 120.40 125.64 1kpv s VAL 93 Ca 0.05 -0.75 -0.24 0.00 0.00 0.00 0.00 61.98 61.04 1kpv s VAL 93 Cb -0.16 -2.51 -0.10 0.00 0.00 0.00 0.00 36.38 33.62 1kpv s VAL 93 CO 0.03 0.31 0.91 -0.31 0.00 0.00 0.00 175.10 176.03 1kpv s TYR 94 N 1.41 3.65 0.06 5.22 1.51 -1.26 -0.88 117.35 127.06 1kpv s TYR 94 Ca 0.03 1.70 -0.31 0.00 -1.01 0.00 0.00 57.07 57.49 1kpv s TYR 94 Cb -0.15 -2.86 -0.08 0.00 -0.11 0.00 0.00 41.96 38.75 1kpv s TYR 94 CO -0.04 0.20 1.61 -0.46 -1.11 0.00 0.00 175.55 175.75 1kpv s TRP 95 N -1.65 2.53 -0.58 2.71 -0.00 -0.02 -4.87 118.94 117.06 1kpv s TRP 95 Ca 0.50 0.42 -0.10 0.00 -0.00 0.00 0.00 56.10 56.92 1kpv s TRP 95 Cb -0.17 -3.91 0.15 0.00 -0.00 0.00 0.00 33.47 29.53 1kpv s TRP 95 CO 0.22 -3.62 0.47 0.34 -0.00 0.00 0.00 176.95 174.36 1kpv s ASP 96 N 2.24 5.91 0.02 5.86 -1.08 -1.26 -4.80 116.67 123.57 1kpv s ASP 96 Ca 0.72 -2.20 0.14 0.00 -0.52 0.00 0.00 52.55 50.69 1kpv s ASP 96 Cb -0.39 -2.05 0.60 0.00 -1.46 0.00 0.00 42.92 39.62 1kpv s ASP 96 CO 0.31 -0.64 1.45 -2.11 0.52 0.00 0.00 175.17 174.70 1kpv n ARG 97 N 4.55 0.02 -0.02 4.34 1.85 -1.26 -2.40 116.66 123.73 1kpv n ARG 97 Ca -0.02 0.29 0.10 0.00 -1.00 0.00 0.00 57.85 57.22 1kpv n ARG 97 Cb 0.41 -1.53 0.10 0.00 -1.05 0.00 0.00 32.46 30.39 1kpv n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1kpv n ASP 98 N -1.57 2.75 0.00 2.89 8.00 -1.26 -4.84 116.55 122.53 1kpv n ASP 98 Ca 0.03 -1.85 0.00 0.00 0.71 0.00 0.00 54.79 53.68 1kpv n ASP 98 Cb 0.16 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.23 1kpv n ASP 98 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61