#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kpr s ILE 1 N 0.00 3.13 -0.01 1.12 -1.09 -1.26 -5.12 121.20 117.97 1kpr s ILE 1 Ca 0.00 -1.04 0.03 0.00 -2.23 0.00 0.00 60.65 57.41 1kpr s ILE 1 Cb 0.00 -2.34 -0.01 0.00 -1.58 0.00 0.00 42.46 38.53 1kpr s ILE 1 CO 0.00 0.35 -0.10 -1.10 -1.23 0.00 0.00 174.94 172.85 1kpr s GLN 2 N -1.47 0.84 -0.05 2.79 -0.21 -1.26 -4.47 119.66 115.84 1kpr s GLN 2 Ca 0.16 -0.38 0.03 0.00 0.02 0.00 0.00 55.36 55.19 1kpr s GLN 2 Cb -0.11 -0.82 0.01 0.00 1.00 0.00 0.00 33.01 33.10 1kpr s GLN 2 CO 0.07 0.22 -0.12 1.03 -2.12 0.00 0.00 175.29 174.37 1kpr s ARG 3 N -0.26 1.52 0.36 2.91 0.52 -0.09 -4.91 118.95 119.00 1kpr s ARG 3 Ca 0.04 -0.41 -0.24 0.00 -0.52 0.00 0.00 55.73 54.59 1kpr s ARG 3 Cb -0.04 -1.30 -0.10 0.00 0.52 0.00 0.00 34.95 34.03 1kpr s ARG 3 CO -0.00 0.08 0.94 0.99 0.02 0.00 0.00 175.30 177.33 1kpr s THR 4 N 0.46 4.27 0.37 0.02 2.01 -1.26 -2.26 115.64 119.25 1kpr s THR 4 Ca -0.10 1.72 -0.27 0.00 0.31 0.00 0.00 61.69 63.35 1kpr s THR 4 Cb -0.13 -3.88 -0.09 0.00 0.01 0.00 0.00 72.50 68.40 1kpr s THR 4 CO 0.03 -0.00 1.31 -2.16 -0.69 0.00 0.00 174.62 173.10 1kpr s PRO 5 N -2.40 4.13 -0.17 4.92 0.04 -1.26 -4.35 135.00 135.91 1kpr s PRO 5 Ca 0.54 2.19 -0.08 0.00 0.04 0.00 0.00 61.00 63.68 1kpr s PRO 5 Cb -0.16 -2.89 -0.04 0.00 0.04 0.00 0.00 34.50 31.45 1kpr s PRO 5 CO 0.20 -0.36 0.12 0.15 0.04 0.00 0.00 177.00 177.15 1kpr s LYS 6 N -2.06 3.87 0.09 4.56 1.02 0.06 -4.93 119.74 122.36 1kpr s LYS 6 Ca 0.53 -0.21 0.08 0.00 0.02 0.00 0.00 55.97 56.40 1kpr s LYS 6 Cb -0.39 -3.30 -0.04 0.00 -0.52 0.00 0.00 37.83 33.59 1kpr s LYS 6 CO 0.51 0.48 -0.17 0.42 -0.92 0.00 0.00 175.35 175.66 1kpr s ILE 7 N -0.16 2.91 -0.17 2.17 1.01 -1.26 -1.80 121.20 123.90 1kpr s ILE 7 Ca 0.10 -1.36 -0.07 0.00 0.00 0.00 0.00 60.65 59.32 1kpr s ILE 7 Cb -0.11 -2.30 0.08 0.00 0.01 0.00 0.00 42.46 40.13 1kpr s ILE 7 CO 0.00 0.18 0.37 -1.10 0.00 0.00 0.00 174.94 174.40 1kpr s GLN 8 N -1.91 0.28 -0.18 2.79 -0.21 -0.82 -4.95 119.66 114.66 1kpr s GLN 8 Ca 0.17 0.91 -0.06 0.00 0.02 0.00 0.00 55.36 56.40 1kpr s GLN 8 Cb -0.11 0.17 -0.04 0.00 1.00 0.00 0.00 33.01 34.04 1kpr s GLN 8 CO 0.09 -0.24 0.04 0.08 -2.12 0.00 0.00 175.29 173.14 1kpr s VAL 9 N 2.34 4.54 -0.10 1.09 1.01 -1.26 0.31 120.40 128.34 1kpr s VAL 9 Ca -0.02 -0.12 -0.32 0.00 0.00 0.00 0.00 61.98 61.52 1kpr s VAL 9 Cb -0.11 -3.04 0.12 0.00 0.00 0.00 0.00 36.38 33.35 1kpr s VAL 9 CO -0.12 0.46 1.04 -0.72 0.00 0.00 0.00 175.10 175.76 1kpr s TYR 10 N 0.43 -0.25 0.08 5.22 1.13 0.22 -4.66 117.35 119.52 1kpr s TYR 10 Ca 0.01 0.17 -0.07 0.00 -1.41 0.00 0.00 57.07 55.78 1kpr s TYR 10 Cb -0.13 0.52 -0.05 0.00 -1.10 0.00 0.00 41.96 41.20 1kpr s TYR 10 CO 0.01 -0.38 0.35 -1.54 -2.51 0.00 0.00 175.55 171.48 1kpr s SER 11 N -2.26 6.54 0.22 -0.18 1.04 -1.26 0.02 113.70 117.81 1kpr s SER 11 Ca 0.07 0.64 -0.08 0.00 0.48 0.00 0.00 55.95 57.05 1kpr s SER 11 Cb -0.01 -2.12 0.29 0.00 0.10 0.00 0.00 66.02 64.29 1kpr s SER 11 CO -0.07 0.15 1.78 -0.09 0.98 0.00 0.00 173.24 175.99 1kpr h ARG 12 N 3.43 0.58 -6.19 4.02 2.43 0.09 -3.44 114.38 115.30 1kpr h ARG 12 Ca -0.48 -0.03 -0.61 0.00 -0.81 0.00 0.00 59.98 58.05 1kpr h ARG 12 Cb 1.18 -0.13 -0.14 0.00 -0.42 0.00 0.00 29.97 30.47 1kpr h ARG 12 CO 0.69 0.38 -0.74 -1.01 -1.51 0.00 0.00 179.97 177.78 1kpr s HIS 13 N -6.08 2.33 0.37 2.20 3.76 -1.26 -5.04 115.29 111.57 1kpr s HIS 13 Ca -0.13 -0.34 -0.28 0.00 -0.15 0.00 0.00 55.06 54.16 1kpr s HIS 13 Cb 0.17 -1.04 -0.11 0.00 1.11 0.00 0.00 32.58 32.71 1kpr s HIS 13 CO 0.76 0.70 1.47 -2.14 -0.85 0.00 0.00 174.74 174.68 1kpr s PRO 14 N -3.53 4.14 -0.03 8.40 0.02 -1.26 -4.82 135.00 137.91 1kpr s PRO 14 Ca 0.30 2.53 -0.34 0.00 0.02 0.00 0.00 61.00 63.51 1kpr s PRO 14 Cb -0.04 -2.98 -0.12 0.00 0.02 0.00 0.00 34.50 31.37 1kpr s PRO 14 CO 0.16 -0.49 1.82 0.00 -0.33 0.00 0.00 177.00 178.15 1kpr n ALA 15 N 0.58 1.00 -3.68 -1.55 0.00 -1.26 -4.95 120.51 110.65 1kpr n ALA 15 Ca 0.01 0.31 -0.29 0.00 0.00 0.00 0.00 53.44 53.47 1kpr n ALA 15 Cb 0.39 -2.47 -0.13 0.00 0.00 0.00 0.00 19.45 17.24 1kpr n ALA 15 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1kpr s GLU 16 N 3.44 1.20 -0.06 0.00 2.56 -1.26 -5.09 118.70 119.50 1kpr s GLU 16 Ca 0.90 -1.93 -0.28 0.00 0.00 0.00 0.00 54.97 53.65 1kpr s GLU 16 Cb -0.68 -2.22 -0.14 0.00 2.00 0.00 0.00 34.13 33.10 1kpr s GLU 16 CO 0.48 -1.17 0.79 0.09 -0.56 0.00 0.00 175.26 174.90 1kpr n ASN 17 N 3.59 0.13 0.00 -1.70 3.02 -1.26 0.22 115.26 119.27 1kpr n ASN 17 Ca 0.09 0.80 0.00 0.00 -0.03 0.00 0.00 54.58 55.44 1kpr n ASN 17 Cb 0.35 -0.62 0.00 0.00 -0.61 0.00 0.00 39.78 38.89 1kpr n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1kpr n GLY 18 N 1.31 2.61 3.68 7.41 0.00 -0.58 -4.97 105.19 114.66 1kpr n GLY 18 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 1kpr n GLY 18 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1kpr s LYS 19 N -0.00 4.38 0.68 1.61 0.00 0.61 -4.97 119.74 122.05 1kpr s LYS 19 Ca 0.00 1.38 -0.17 0.00 0.00 0.00 0.00 55.97 57.18 1kpr s LYS 19 Cb 0.00 -3.57 -0.04 0.00 0.00 0.00 0.00 37.83 34.22 1kpr s LYS 19 CO 0.00 -0.40 0.67 0.45 0.00 0.00 0.00 175.35 176.07 1kpr n SER 20 N 5.37 -0.58 0.00 0.03 2.88 -1.26 -4.36 113.62 115.70 1kpr n SER 20 Ca 0.10 0.66 0.00 0.00 -1.33 0.00 0.00 58.87 58.29 1kpr n SER 20 Cb 0.48 -1.27 0.00 0.00 -0.75 0.00 0.00 64.21 62.67 1kpr n SER 20 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1kpr n ASN 21 N -0.52 0.00 -3.69 -3.46 2.85 0.22 -4.98 115.26 105.67 1kpr n ASN 21 Ca 0.11 0.00 -0.16 0.00 -0.11 0.00 0.00 54.58 54.43 1kpr n ASN 21 Cb 0.49 0.00 -0.15 0.00 1.24 0.00 0.00 39.78 41.36 1kpr n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1kpr s PHE 22 N -1.21 -0.19 -0.14 1.20 0.08 -1.26 -2.63 117.98 113.83 1kpr s PHE 22 Ca 0.00 0.58 -0.19 0.00 0.12 0.00 0.00 56.93 57.44 1kpr s PHE 22 Cb 0.00 -0.19 -0.04 0.00 -0.57 0.00 0.00 43.02 42.22 1kpr s PHE 22 CO 0.00 -0.24 0.54 -1.17 -0.10 0.00 0.00 175.22 174.25 1kpr s LEU 23 N 1.91 4.23 -0.02 -0.37 2.96 0.23 0.85 118.68 128.47 1kpr s LEU 23 Ca -0.01 0.83 0.08 0.00 -0.22 0.00 0.00 54.13 54.81 1kpr s LEU 23 Cb -0.12 -2.78 -0.02 0.00 0.50 0.00 0.00 46.19 43.77 1kpr s LEU 23 CO -0.06 -0.10 -0.26 0.20 -1.32 0.00 0.00 176.35 174.81 1kpr s ASN 24 N 0.86 3.07 -0.25 3.68 0.01 0.10 -1.77 114.94 120.64 1kpr s ASN 24 Ca 0.27 -0.48 0.03 0.00 -0.71 0.00 0.00 52.86 51.98 1kpr s ASN 24 Cb -0.16 -0.34 0.05 0.00 0.41 0.00 0.00 41.25 41.22 1kpr s ASN 24 CO 0.11 0.32 -0.12 0.00 -1.51 0.00 0.00 177.10 175.89 1kpr s TYR 26 N 1.13 3.21 -0.11 0.00 5.04 0.15 -0.93 117.35 125.83 1kpr s TYR 26 Ca -0.07 -0.46 0.01 0.00 -2.44 0.00 0.00 57.07 54.11 1kpr s TYR 26 Cb -0.19 -2.42 -0.01 0.00 0.35 0.00 0.00 41.96 39.68 1kpr s TYR 26 CO -0.06 -0.44 -0.15 0.14 -1.34 0.00 0.00 175.55 173.70 1kpr s VAL 27 N 1.66 2.93 0.18 3.14 -7.23 -0.67 -1.94 120.40 118.46 1kpr s VAL 27 Ca 0.05 -0.72 -0.12 0.00 -1.81 0.00 0.00 61.98 59.38 1kpr s VAL 27 Cb -0.17 -2.20 0.00 0.00 0.56 0.00 0.00 36.38 34.56 1kpr s VAL 27 CO 0.08 0.54 0.37 -0.94 -0.31 0.00 0.00 175.10 174.84 1kpr s SER 28 N 0.18 -0.06 -1.40 4.85 1.04 -0.74 -0.69 113.70 116.88 1kpr s SER 28 Ca -0.08 -0.74 -0.01 0.00 0.48 0.00 0.00 55.95 55.59 1kpr s SER 28 Cb -0.15 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.45 1kpr s SER 28 CO 0.05 -0.95 0.19 0.61 0.98 0.00 0.00 173.24 174.12 1kpr n GLY 29 N -0.26 -0.33 3.64 7.32 0.00 0.54 -0.76 105.19 115.34 1kpr n GLY 29 Ca -0.08 -0.11 -0.26 0.00 0.00 0.00 0.00 46.02 45.57 1kpr n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1kpr s PHE 30 N -2.94 2.77 -0.27 1.61 -0.71 -1.11 -4.15 117.98 113.18 1kpr s PHE 30 Ca 0.09 -0.17 -0.15 0.00 -1.04 0.00 0.00 56.93 55.66 1kpr s PHE 30 Cb -0.04 -1.32 0.08 0.00 -1.21 0.00 0.00 43.02 40.53 1kpr s PHE 30 CO 0.12 0.54 0.66 -1.58 -1.34 0.00 0.00 175.22 173.61 1kpr s HIS 31 N -1.84 -1.03 1.09 3.49 2.46 -0.96 -0.69 115.29 117.80 1kpr s HIS 31 Ca 0.28 2.06 -0.18 0.00 0.47 0.00 0.00 55.06 57.68 1kpr s HIS 31 Cb -0.09 0.60 0.25 0.00 -0.13 0.00 0.00 32.58 33.22 1kpr s HIS 31 CO 0.18 -0.51 1.24 -1.25 -2.47 0.00 0.00 174.74 171.93 1kpr s PRO 32 N 1.63 -0.34 0.00 2.88 0.04 -1.26 -0.91 135.00 137.04 1kpr s PRO 32 Ca -0.10 -0.32 0.17 0.00 0.04 0.00 0.00 61.00 60.79 1kpr s PRO 32 Cb -0.05 -1.72 1.00 0.00 0.04 0.00 0.00 34.50 33.77 1kpr s PRO 32 CO -0.19 -3.08 1.53 -1.13 0.04 0.00 0.00 177.00 174.16 1kpr n SER 33 N -4.26 0.00 -4.65 6.66 3.41 -1.26 -4.80 113.62 108.73 1kpr n SER 33 Ca 0.15 -1.12 -0.42 0.00 -0.26 0.00 0.00 58.87 57.22 1kpr n SER 33 Cb 0.59 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.51 1kpr n SER 33 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1kpr s ASP 34 N -1.70 6.93 -0.01 4.04 1.01 -1.26 -5.01 116.67 120.66 1kpr s ASP 34 Ca 0.25 1.14 -0.12 0.00 0.71 0.00 0.00 52.55 54.54 1kpr s ASP 34 Cb 0.12 -2.48 0.02 0.00 1.01 0.00 0.00 42.92 41.58 1kpr s ASP 34 CO 0.19 -0.61 0.24 -0.51 0.21 0.00 0.00 175.17 174.70 1kpr s ILE 35 N 3.05 0.06 -0.14 0.77 2.07 -1.26 -4.64 121.20 121.11 1kpr s ILE 35 Ca 0.39 -0.52 0.01 0.00 -1.41 0.00 0.00 60.65 59.11 1kpr s ILE 35 Cb -0.15 -0.53 -0.00 0.00 0.13 0.00 0.00 42.46 41.91 1kpr s ILE 35 CO 0.08 -0.29 -0.16 -1.61 -1.91 0.00 0.00 174.94 171.05 1kpr s GLU 36 N -1.25 3.21 -0.09 3.50 2.02 -0.63 -4.94 118.70 120.52 1kpr s GLU 36 Ca -0.13 -0.76 0.00 0.00 0.02 0.00 0.00 54.97 54.10 1kpr s GLU 36 Cb -0.06 -2.58 0.02 0.00 0.10 0.00 0.00 34.13 31.61 1kpr s GLU 36 CO 0.03 0.06 -0.07 0.08 0.02 0.00 0.00 175.26 175.38 1kpr s VAL 37 N 0.71 0.89 -0.00 2.63 1.01 -1.26 -0.26 120.40 124.11 1kpr s VAL 37 Ca -0.07 -0.25 0.06 0.00 0.00 0.00 0.00 61.98 61.71 1kpr s VAL 37 Cb -0.16 -0.90 -0.02 0.00 0.00 0.00 0.00 36.38 35.31 1kpr s VAL 37 CO 0.01 0.33 -0.19 -1.81 0.00 0.00 0.00 175.10 173.44 1kpr s ASP 38 N 1.38 2.27 -0.00 3.32 1.01 0.18 -4.95 116.67 119.88 1kpr s ASP 38 Ca -0.02 -0.38 -0.18 0.00 0.71 0.00 0.00 52.55 52.68 1kpr s ASP 38 Cb -0.14 -0.24 -0.06 0.00 1.01 0.00 0.00 42.92 43.50 1kpr s ASP 38 CO -0.04 0.22 0.50 -0.76 0.21 0.00 0.00 175.17 175.30 1kpr s LEU 39 N -0.58 4.44 -0.01 1.23 1.43 -1.26 0.34 118.68 124.27 1kpr s LEU 39 Ca 0.07 1.06 0.06 0.00 -1.03 0.00 0.00 54.13 54.29 1kpr s LEU 39 Cb -0.08 -2.76 -0.03 0.00 0.03 0.00 0.00 46.19 43.36 1kpr s LEU 39 CO -0.00 0.21 -0.19 -0.76 0.23 0.00 0.00 176.35 175.83 1kpr s LEU 40 N -0.59 2.46 -0.31 1.79 1.43 0.24 -1.09 118.68 122.60 1kpr s LEU 40 Ca 0.27 -0.36 0.01 0.00 -1.03 0.00 0.00 54.13 53.02 1kpr s LEU 40 Cb -0.17 -1.46 0.08 0.00 0.03 0.00 0.00 46.19 44.66 1kpr s LEU 40 CO 0.15 0.31 -0.00 -0.75 0.23 0.00 0.00 176.35 176.29 1kpr s LYS 41 N -0.92 2.03 -1.17 1.70 2.20 0.23 -1.47 119.74 122.36 1kpr s LYS 41 Ca 0.12 -1.54 -0.13 0.00 -0.36 0.00 0.00 55.97 54.05 1kpr s LYS 41 Cb -0.10 -3.13 -0.02 0.00 -1.51 0.00 0.00 37.83 33.07 1kpr s LYS 41 CO 0.01 -0.75 0.78 0.09 -0.36 0.00 0.00 175.35 175.12 1kpr n ASN 42 N 4.44 -4.53 0.00 1.43 4.13 0.32 -1.32 115.26 119.73 1kpr n ASN 42 Ca -0.07 -0.93 0.00 0.00 1.68 0.00 0.00 54.58 55.26 1kpr n ASN 42 Cb 0.42 -3.80 0.00 0.00 -1.54 0.00 0.00 39.78 34.87 1kpr n ASN 42 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1kpr n GLY 43 N -1.60 1.85 3.86 7.41 0.00 -1.26 -4.99 105.19 110.46 1kpr n GLY 43 Ca -0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.52 1kpr n GLY 43 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1kpr s GLU 44 N 0.00 3.73 -0.22 1.61 2.12 -0.44 -5.00 118.70 120.51 1kpr s GLU 44 Ca 0.00 0.15 -0.29 0.00 0.36 0.00 0.00 54.97 55.19 1kpr s GLU 44 Cb 0.00 -3.10 -0.01 0.00 0.26 0.00 0.00 34.13 31.28 1kpr s GLU 44 CO 0.00 0.64 1.38 -0.98 -0.54 0.00 0.00 175.26 175.76 1kpr s ARG 45 N -1.56 4.02 0.11 4.30 1.70 -1.26 -0.60 118.95 125.65 1kpr s ARG 45 Ca 0.27 1.54 -0.32 0.00 -0.47 0.00 0.00 55.73 56.76 1kpr s ARG 45 Cb -0.14 -3.88 -0.11 0.00 -0.57 0.00 0.00 34.95 30.24 1kpr s ARG 45 CO 0.15 -1.00 1.80 -0.89 -1.08 0.00 0.00 175.30 174.28 1kpr n ILE 46 N 5.91 0.32 -2.36 4.99 5.41 -0.25 -4.92 119.36 128.47 1kpr n ILE 46 Ca 0.15 -0.06 -0.26 0.00 1.00 0.00 0.00 62.75 63.59 1kpr n ILE 46 Cb 0.45 -1.99 0.14 0.00 -0.71 0.00 0.00 39.64 37.54 1kpr n ILE 46 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 1kpr s GLU 47 N 2.54 1.20 -1.51 0.38 2.02 -1.26 -4.42 118.70 117.65 1kpr s GLU 47 Ca 0.83 -0.91 -0.11 0.00 0.02 0.00 0.00 54.97 54.79 1kpr s GLU 47 Cb -0.54 -2.15 0.08 0.00 0.10 0.00 0.00 34.13 31.62 1kpr s GLU 47 CO 0.39 -1.87 0.87 1.63 0.02 0.00 0.00 175.26 176.30 1kpr n LYS 48 N -3.21 -4.93 -2.24 1.61 5.02 -1.26 -4.99 118.16 108.15 1kpr n LYS 48 Ca 0.16 0.55 -0.26 0.00 -2.02 0.00 0.00 58.31 56.74 1kpr n LYS 48 Cb 0.60 -5.31 0.05 0.00 -0.02 0.00 0.00 35.03 30.35 1kpr n LYS 48 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1kpr s VAL 49 N -3.41 2.83 0.06 -0.18 1.01 -1.26 -4.91 120.40 114.54 1kpr s VAL 49 Ca 0.52 -0.12 0.01 0.00 0.00 0.00 0.00 61.98 62.39 1kpr s VAL 49 Cb -0.27 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 32.89 1kpr s VAL 49 CO 0.85 -0.21 -0.05 -1.61 0.00 0.00 0.00 175.10 174.08 1kpr s GLU 50 N -5.17 0.63 0.09 2.72 2.02 0.14 -4.94 118.70 114.19 1kpr s GLU 50 Ca 0.58 -1.10 -0.04 0.00 0.02 0.00 0.00 54.97 54.43 1kpr s GLU 50 Cb -0.11 -0.02 -0.03 0.00 0.10 0.00 0.00 34.13 34.08 1kpr s GLU 50 CO 0.45 -0.05 0.08 -3.38 0.02 0.00 0.00 175.26 172.39 1kpr s HIS 51 N -3.08 0.49 0.87 1.61 -3.43 -1.26 0.47 115.29 110.96 1kpr s HIS 51 Ca 0.03 -0.95 -0.08 0.00 -0.80 0.00 0.00 55.06 53.26 1kpr s HIS 51 Cb 0.02 -0.29 0.19 0.00 -1.43 0.00 0.00 32.58 31.07 1kpr s HIS 51 CO -0.05 -0.49 1.18 -1.54 -2.00 0.00 0.00 174.74 171.84 1kpr s SER 52 N -2.94 3.51 -0.05 7.38 1.04 -0.66 -4.97 113.70 117.02 1kpr s SER 52 Ca 0.11 -0.21 -0.30 0.00 0.48 0.00 0.00 55.95 56.04 1kpr s SER 52 Cb 0.07 0.10 -0.02 0.00 0.10 0.00 0.00 66.02 66.26 1kpr s SER 52 CO -0.07 -2.44 1.02 -1.81 0.98 0.00 0.00 173.24 170.92 1kpr s ASP 53 N -4.89 7.27 0.04 7.02 1.01 -1.26 -4.76 116.67 121.10 1kpr s ASP 53 Ca 0.72 1.64 -0.38 0.00 0.71 0.00 0.00 52.55 55.24 1kpr s ASP 53 Cb -0.03 -2.56 -0.17 0.00 1.01 0.00 0.00 42.92 41.16 1kpr s ASP 53 CO 0.49 -0.38 1.33 -0.11 0.21 0.00 0.00 175.17 176.72 1kpr n LEU 54 N 4.50 1.44 -3.66 1.23 7.94 -1.26 -4.93 117.00 122.25 1kpr n LEU 54 Ca 0.08 1.12 -0.10 0.00 -1.11 0.00 0.00 56.01 56.00 1kpr n LEU 54 Cb 0.49 -1.14 -0.04 0.00 0.53 0.00 0.00 43.42 43.26 1kpr n LEU 54 CO 0.52 -1.13 0.21 -0.55 -1.11 0.00 0.00 177.39 175.33 1kpr s SER 55 N 0.68 -0.26 0.27 1.96 0.15 -1.23 -5.05 113.70 110.23 1kpr s SER 55 Ca 0.87 -0.36 0.03 0.00 0.70 0.00 0.00 55.95 57.18 1kpr s SER 55 Cb -1.02 0.52 -0.06 0.00 -1.71 0.00 0.00 66.02 63.75 1kpr s SER 55 CO 0.50 -0.93 0.06 0.72 1.20 0.00 0.00 173.24 174.80 1kpr s PHE 56 N -3.83 1.67 0.49 3.44 -0.12 -1.26 -1.10 117.98 117.27 1kpr s PHE 56 Ca 0.05 -1.05 0.05 0.00 -0.05 0.00 0.00 56.93 55.93 1kpr s PHE 56 Cb 0.01 -1.02 -0.01 0.00 -0.63 0.00 0.00 43.02 41.37 1kpr s PHE 56 CO -0.09 -0.16 0.17 -1.54 -0.05 0.00 0.00 175.22 173.55 1kpr s SER 57 N -3.36 4.33 0.40 1.98 1.04 0.90 -4.93 113.70 114.07 1kpr s SER 57 Ca 0.35 -1.36 0.28 0.00 0.48 0.00 0.00 55.95 55.70 1kpr s SER 57 Cb 0.08 0.15 1.39 0.00 0.10 0.00 0.00 66.02 67.74 1kpr s SER 57 CO 0.13 -0.81 1.50 1.17 0.98 0.00 0.00 173.24 176.20 1kpr n LYS 58 N -1.38 -0.04 -0.48 4.02 4.81 -1.26 0.21 118.16 124.05 1kpr n LYS 58 Ca -0.08 1.23 0.06 0.00 -0.87 0.00 0.00 58.31 58.65 1kpr n LYS 58 Cb 0.66 -2.36 0.25 0.00 0.02 0.00 0.00 35.03 33.59 1kpr n LYS 58 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1kpr n ASP 59 N -4.76 3.62 0.00 3.14 5.75 -1.26 -4.90 116.55 118.14 1kpr n ASP 59 Ca 0.38 -2.40 0.00 0.00 -0.01 0.00 0.00 54.79 52.76 1kpr n ASP 59 Cb 1.43 -0.52 0.00 0.00 -1.03 0.00 0.00 41.12 41.00 1kpr n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1kpr n TRP 60 N 0.59 0.00 -2.70 2.11 7.02 0.58 -4.99 117.44 120.05 1kpr n TRP 60 Ca 0.18 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.31 1kpr n TRP 60 Cb 0.72 -0.61 -0.05 0.00 -2.42 0.00 0.00 31.31 28.94 1kpr n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1kpr s SER 61 N -2.55 6.78 0.39 -0.99 1.04 -1.22 -4.59 113.70 112.56 1kpr s SER 61 Ca 0.00 1.82 -0.07 0.00 0.48 0.00 0.00 55.95 58.19 1kpr s SER 61 Cb 0.00 -2.56 -0.05 0.00 0.10 0.00 0.00 66.02 63.51 1kpr s SER 61 CO 0.00 -0.47 0.70 -0.36 0.98 0.00 0.00 173.24 174.09 1kpr s PHE 62 N -1.99 3.50 -0.12 5.02 0.08 0.13 -0.07 117.98 124.53 1kpr s PHE 62 Ca 0.62 0.83 -0.12 0.00 0.12 0.00 0.00 56.93 58.37 1kpr s PHE 62 Cb -0.14 -2.28 0.03 0.00 -0.57 0.00 0.00 43.02 40.07 1kpr s PHE 62 CO 0.18 -0.06 0.34 1.52 -0.10 0.00 0.00 175.22 177.10 1kpr s TYR 63 N -2.39 -0.36 0.04 0.36 -0.85 -0.26 -0.34 117.35 113.55 1kpr s TYR 63 Ca 0.47 0.87 0.02 0.00 -0.52 0.00 0.00 57.07 57.91 1kpr s TYR 63 Cb -0.10 0.12 -0.02 0.00 0.38 0.00 0.00 41.96 42.34 1kpr s TYR 63 CO 0.35 -0.19 -0.06 -0.51 -1.52 0.00 0.00 175.55 173.61 1kpr s LEU 64 N 0.10 2.26 -0.18 -3.49 1.43 0.14 -3.55 118.68 115.38 1kpr s LEU 64 Ca -0.01 -0.55 -0.03 0.00 -1.03 0.00 0.00 54.13 52.52 1kpr s LEU 64 Cb -0.02 -0.09 -0.01 0.00 0.03 0.00 0.00 46.19 46.09 1kpr s LEU 64 CO 0.01 -0.24 -0.07 -0.22 0.23 0.00 0.00 176.35 176.06 1kpr s LEU 65 N -1.58 2.87 -0.09 1.79 2.96 -1.26 -1.67 118.68 121.69 1kpr s LEU 65 Ca -0.11 -0.34 -0.01 0.00 -0.22 0.00 0.00 54.13 53.45 1kpr s LEU 65 Cb -0.10 -1.70 -0.03 0.00 0.50 0.00 0.00 46.19 44.87 1kpr s LEU 65 CO -0.00 0.07 -0.05 -0.31 -1.32 0.00 0.00 176.35 174.73 1kpr s TYR 66 N 0.96 2.98 0.25 5.38 1.51 -0.11 -1.65 117.35 126.67 1kpr s TYR 66 Ca -0.01 -0.06 -0.21 0.00 -1.01 0.00 0.00 57.07 55.78 1kpr s TYR 66 Cb -0.15 -1.79 0.03 0.00 -0.11 0.00 0.00 41.96 39.95 1kpr s TYR 66 CO 0.00 0.24 0.69 1.52 -1.11 0.00 0.00 175.55 176.89 1kpr s TYR 67 N -0.49 -0.27 -0.04 2.71 1.13 0.18 0.58 117.35 121.15 1kpr s TYR 67 Ca 0.08 -0.13 -0.30 0.00 -1.41 0.00 0.00 57.07 55.31 1kpr s TYR 67 Cb -0.12 0.67 0.08 0.00 -1.10 0.00 0.00 41.96 41.49 1kpr s TYR 67 CO 0.02 -1.14 0.73 -0.08 -2.51 0.00 0.00 175.55 172.56 1kpr s THR 68 N -3.88 0.00 0.26 -3.49 -1.32 -0.73 -0.68 115.64 105.80 1kpr s THR 68 Ca 0.09 0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.27 1kpr s THR 68 Cb -0.05 -1.00 -0.09 0.00 -1.51 0.00 0.00 72.50 69.85 1kpr s THR 68 CO 0.02 0.00 1.11 -0.70 -2.21 0.00 0.00 174.62 172.84 1kpr s GLU 69 N -1.61 4.62 0.35 7.08 2.12 -1.26 -0.60 118.70 129.40 1kpr s GLU 69 Ca -0.07 1.81 -0.13 0.00 0.36 0.00 0.00 54.97 56.93 1kpr s GLU 69 Cb -0.00 -3.20 0.03 0.00 0.26 0.00 0.00 34.13 31.22 1kpr s GLU 69 CO 0.05 0.17 0.68 -0.59 -0.54 0.00 0.00 175.26 175.03 1kpr s PHE 70 N -0.98 0.31 -0.27 5.30 -0.71 -1.08 -4.84 117.98 115.72 1kpr s PHE 70 Ca 0.46 -0.83 -0.02 0.00 -1.04 0.00 0.00 56.93 55.50 1kpr s PHE 70 Cb -0.32 0.55 0.09 0.00 -1.21 0.00 0.00 43.02 42.12 1kpr s PHE 70 CO 0.40 -1.37 0.07 0.99 -1.34 0.00 0.00 175.22 173.98 1kpr s THR 71 N -2.88 0.70 0.56 -4.49 2.01 -1.26 0.72 115.64 111.01 1kpr s THR 71 Ca 0.19 -1.06 -0.19 0.00 0.31 0.00 0.00 61.69 60.94 1kpr s THR 71 Cb -0.04 -1.40 -0.08 0.00 0.01 0.00 0.00 72.50 70.99 1kpr s THR 71 CO 0.13 -0.50 0.70 -0.81 -0.69 0.00 0.00 174.62 173.45 1kpr n PRO 72 N 4.94 0.70 -3.87 4.92 -0.04 -1.26 -4.75 135.00 135.64 1kpr n PRO 72 Ca -0.05 0.27 -0.09 0.00 -0.04 0.00 0.00 63.50 63.58 1kpr n PRO 72 Cb 0.44 -1.87 -0.08 0.00 -0.04 0.00 0.00 33.50 31.95 1kpr n PRO 72 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1kpr s THR 73 N -1.61 0.13 -0.15 0.52 2.01 -1.26 -1.53 115.64 113.75 1kpr s THR 73 Ca 0.70 -1.10 0.23 0.00 0.31 0.00 0.00 61.69 61.84 1kpr s THR 73 Cb -0.45 -1.15 0.26 0.00 0.01 0.00 0.00 72.50 71.17 1kpr s THR 73 CO 0.52 -0.60 1.69 -0.08 -0.69 0.00 0.00 174.62 175.45 1kpr h GLU 74 N 3.11 0.00 0.05 4.92 4.81 -1.98 -3.36 114.58 122.14 1kpr h GLU 74 Ca -0.33 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 58.62 1kpr h GLU 74 Cb 1.19 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.55 1kpr h GLU 74 CO 0.53 0.16 -1.51 -0.22 -0.73 0.00 0.00 179.01 177.25 1kpr h LYS 75 N 0.00 0.10 -6.31 1.92 3.11 -2.00 -3.47 116.57 109.91 1kpr h LYS 75 Ca -0.00 -0.17 -0.66 0.00 -2.81 0.00 0.00 60.65 57.01 1kpr h LYS 75 Cb 0.94 0.06 0.05 0.00 -1.00 0.00 0.00 32.23 32.28 1kpr h LYS 75 CO 0.02 1.08 0.65 -0.25 -2.81 0.00 0.00 179.45 178.14 1kpr n ASP 76 N -4.10 2.23 -4.47 4.20 8.00 -1.26 -4.98 116.55 116.17 1kpr n ASP 76 Ca -0.32 1.09 -0.43 0.00 0.71 0.00 0.00 54.79 55.84 1kpr n ASP 76 Cb 0.81 -1.25 -0.07 0.00 -0.02 0.00 0.00 41.12 40.59 1kpr n ASP 76 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1kpr s GLU 77 N 1.29 3.16 0.09 -1.24 0.41 -1.26 -4.75 118.70 116.39 1kpr s GLU 77 Ca 0.86 -0.75 0.02 0.00 -0.41 0.00 0.00 54.97 54.69 1kpr s GLU 77 Cb -0.89 -4.05 -0.04 0.00 -1.78 0.00 0.00 34.13 27.38 1kpr s GLU 77 CO 0.48 -1.14 0.13 0.71 -0.49 0.00 0.00 175.26 174.95 1kpr s TYR 78 N 2.65 3.30 0.29 1.61 2.02 -1.26 0.12 117.35 126.08 1kpr s TYR 78 Ca 0.17 0.12 -0.13 0.00 -0.37 0.00 0.00 57.07 56.86 1kpr s TYR 78 Cb -0.18 -1.65 0.01 0.00 -0.40 0.00 0.00 41.96 39.74 1kpr s TYR 78 CO 0.14 0.54 0.56 0.00 -1.57 0.00 0.00 175.55 175.22 1kpr s ALA 79 N -1.48 -0.29 -0.06 3.71 0.00 -0.54 0.70 121.76 123.80 1kpr s ALA 79 Ca 0.31 -0.88 0.05 0.00 0.00 0.00 0.00 51.96 51.44 1kpr s ALA 79 Cb -0.12 0.99 -0.01 0.00 0.00 0.00 0.00 23.12 23.98 1kpr s ALA 79 CO 0.24 -0.89 -0.22 0.00 0.00 0.00 0.00 175.76 174.89 1kpr s ARG 81 N -0.05 3.10 -0.01 0.00 3.52 0.15 -1.17 118.95 124.50 1kpr s ARG 81 Ca -0.05 -0.81 0.07 0.00 -0.13 0.00 0.00 55.73 54.81 1kpr s ARG 81 Cb -0.13 -2.51 -0.02 0.00 -1.56 0.00 0.00 34.95 30.73 1kpr s ARG 81 CO 0.04 0.01 -0.22 0.08 -0.81 0.00 0.00 175.30 174.39 1kpr s VAL 82 N 0.79 1.78 -0.02 7.11 1.01 0.04 -0.64 120.40 130.47 1kpr s VAL 82 Ca -0.07 -0.99 0.04 0.00 0.00 0.00 0.00 61.98 60.97 1kpr s VAL 82 Cb -0.16 -1.48 -0.01 0.00 0.00 0.00 0.00 36.38 34.73 1kpr s VAL 82 CO -0.01 0.48 -0.15 0.21 0.00 0.00 0.00 175.10 175.63 1kpr s ASN 83 N -0.59 1.77 0.10 3.32 2.47 0.63 -1.25 114.94 121.39 1kpr s ASN 83 Ca 0.09 -0.27 -0.25 0.00 0.42 0.00 0.00 52.86 52.84 1kpr s ASN 83 Cb -0.09 -0.26 0.08 0.00 -1.45 0.00 0.00 41.25 39.53 1kpr s ASN 83 CO -0.01 0.17 0.67 -2.28 -3.72 0.00 0.00 177.10 171.94 1kpr s HIS 84 N -0.26 -0.51 0.32 0.43 5.65 -1.26 -1.60 115.29 118.06 1kpr s HIS 84 Ca 0.04 0.39 0.05 0.00 0.25 0.00 0.00 55.06 55.79 1kpr s HIS 84 Cb -0.07 0.54 0.69 0.00 -1.18 0.00 0.00 32.58 32.56 1kpr s HIS 84 CO -0.00 -0.75 1.87 -0.24 -0.65 0.00 0.00 174.74 174.96 1kpr h VAL 85 N 2.11 0.90 0.00 0.89 3.04 -1.94 0.30 116.25 121.55 1kpr h VAL 85 Ca -0.31 -0.29 0.00 0.00 -1.01 0.00 0.00 66.70 65.09 1kpr h VAL 85 Cb 1.28 -0.02 0.00 0.00 -2.01 0.00 0.00 31.29 30.54 1kpr h VAL 85 CO 0.37 0.15 0.00 0.35 -1.01 0.00 0.00 177.57 177.43 1kpr n THR 86 N -4.57 0.00 -4.67 3.17 -2.24 -1.26 -4.72 114.28 99.99 1kpr n THR 86 Ca 0.17 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.62 1kpr n THR 86 Cb 0.38 -0.47 -0.15 0.00 -2.10 0.00 0.00 70.33 68.00 1kpr n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1kpr s LEU 87 N -1.41 2.53 0.23 3.22 1.43 0.11 -4.97 118.68 119.82 1kpr s LEU 87 Ca 0.09 -0.43 -0.07 0.00 -1.03 0.00 0.00 54.13 52.70 1kpr s LEU 87 Cb 0.04 -1.57 0.37 0.00 0.03 0.00 0.00 46.19 45.06 1kpr s LEU 87 CO 0.07 0.12 1.75 0.77 0.23 0.00 0.00 176.35 179.28 1kpr h SER 88 N 7.06 0.30 -5.14 2.29 4.64 -1.85 -3.44 113.55 117.41 1kpr h SER 88 Ca -0.29 0.09 -0.08 0.00 -0.47 0.00 0.00 61.79 61.03 1kpr h SER 88 Cb 1.20 0.05 -0.14 0.00 -0.31 0.00 0.00 62.40 63.20 1kpr h SER 88 CO 0.56 0.15 -0.35 0.00 -0.87 0.00 0.00 176.83 176.32 1kpr s GLN 89 N -6.05 0.85 0.53 4.77 -2.07 -1.26 -5.13 119.66 111.30 1kpr s GLN 89 Ca -0.13 -0.90 -0.20 0.00 -1.82 0.00 0.00 55.36 52.31 1kpr s GLN 89 Cb 0.19 0.35 -0.08 0.00 -1.09 0.00 0.00 33.01 32.37 1kpr s GLN 89 CO 0.76 -0.27 0.79 -0.35 -1.32 0.00 0.00 175.29 174.90 1kpr n PRO 90 N 0.00 0.85 -4.02 9.60 -0.04 -1.26 -4.94 135.00 135.19 1kpr n PRO 90 Ca -0.16 0.32 -0.35 0.00 -0.04 0.00 0.00 63.50 63.27 1kpr n PRO 90 Cb 0.62 -1.93 -0.09 0.00 -0.04 0.00 0.00 33.50 32.07 1kpr n PRO 90 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1kpr s LYS 91 N -2.26 3.67 -0.13 0.54 2.47 -0.38 -4.91 119.74 118.74 1kpr s LYS 91 Ca 0.69 -0.29 0.01 0.00 -1.56 0.00 0.00 55.97 54.82 1kpr s LYS 91 Cb -0.47 -3.15 -0.01 0.00 -1.46 0.00 0.00 37.83 32.74 1kpr s LYS 91 CO 0.53 0.49 -0.15 0.42 0.16 0.00 0.00 175.35 176.80 1kpr s ILE 92 N -0.24 2.84 -0.10 5.43 1.01 -1.26 -0.78 121.20 128.10 1kpr s ILE 92 Ca 0.09 -0.73 0.02 0.00 0.00 0.00 0.00 60.65 60.02 1kpr s ILE 92 Cb -0.12 -2.18 0.01 0.00 0.01 0.00 0.00 42.46 40.18 1kpr s ILE 92 CO 0.01 0.53 -0.17 0.68 0.00 0.00 0.00 174.94 175.99 1kpr s VAL 93 N 0.39 1.62 0.22 2.92 -7.23 -0.31 -4.95 120.40 113.06 1kpr s VAL 93 Ca -0.12 -0.73 -0.30 0.00 -1.81 0.00 0.00 61.98 59.02 1kpr s VAL 93 Cb -0.16 -1.45 -0.09 0.00 0.56 0.00 0.00 36.38 35.24 1kpr s VAL 93 CO 0.06 0.46 1.25 -0.54 -0.31 0.00 0.00 175.10 176.02 1kpr s LYS 94 N 0.81 4.45 0.19 4.82 1.02 -1.26 -0.55 119.74 129.22 1kpr s LYS 94 Ca -0.10 1.99 -0.30 0.00 0.02 0.00 0.00 55.97 57.58 1kpr s LYS 94 Cb -0.16 -3.19 -0.08 0.00 -0.52 0.00 0.00 37.83 33.88 1kpr s LYS 94 CO 0.01 -0.13 1.23 -0.46 -0.92 0.00 0.00 175.35 175.08 1kpr s TRP 95 N -0.27 3.37 -0.27 3.18 -0.00 0.22 -4.88 118.94 120.28 1kpr s TRP 95 Ca 0.53 1.37 0.00 0.00 -0.00 0.00 0.00 56.10 58.00 1kpr s TRP 95 Cb -0.35 -3.49 0.08 0.00 -0.00 0.00 0.00 33.47 29.72 1kpr s TRP 95 CO 0.40 -1.41 0.03 0.34 -0.00 0.00 0.00 176.95 176.31 1kpr s ASP 96 N 0.16 3.94 0.00 5.86 -1.08 -1.26 -4.74 116.67 119.55 1kpr s ASP 96 Ca 0.54 -1.46 0.00 0.00 -0.52 0.00 0.00 52.55 51.10 1kpr s ASP 96 Cb -0.34 -1.06 0.00 0.00 -1.46 0.00 0.00 42.92 40.06 1kpr s ASP 96 CO 0.38 -0.34 0.71 -2.11 0.52 0.00 0.00 175.17 174.33 1kpr n ARG 97 N 4.72 0.00 0.00 4.34 1.85 -1.26 -0.17 116.66 126.14 1kpr n ARG 97 Ca -0.05 0.23 0.14 0.00 -1.00 0.00 0.00 57.85 57.16 1kpr n ARG 97 Cb 0.43 -1.74 0.54 0.00 -1.05 0.00 0.00 32.46 30.64 1kpr n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1kpr n ASP 98 N -1.21 0.39 0.00 2.89 8.00 -1.26 -4.69 116.55 120.67 1kpr n ASP 98 Ca 0.00 -0.29 0.00 0.00 0.71 0.00 0.00 54.79 55.21 1kpr n ASP 98 Cb 0.24 -0.10 0.00 0.00 -0.02 0.00 0.00 41.12 41.24 1kpr n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04