#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k0x s ALA 4 N 0.00 3.40 -0.09 -1.46 0.00 -1.26 -4.94 121.76 117.41 3k0x s ALA 4 Ca 0.00 1.27 -0.30 0.00 0.00 0.00 0.00 51.96 52.93 3k0x s ALA 4 Cb 0.00 -3.49 -0.02 0.00 0.00 0.00 0.00 23.12 19.61 3k0x s ALA 4 CO 0.00 -0.75 1.06 0.21 0.00 0.00 0.00 175.76 176.29 3k0x s LYS 5 N -2.01 4.40 -0.20 0.00 2.20 -0.63 -4.65 119.74 118.85 3k0x s LYS 5 Ca 0.53 1.47 -0.26 0.00 -0.36 0.00 0.00 55.97 57.34 3k0x s LYS 5 Cb -0.39 -3.55 -0.01 0.00 -1.51 0.00 0.00 37.83 32.37 3k0x s LYS 5 CO 0.52 -0.36 0.90 -1.17 -0.36 0.00 0.00 175.35 174.88 3k0x s LEU 6 N 2.09 4.14 0.28 5.43 2.96 -1.26 -1.20 118.68 131.11 3k0x s LEU 6 Ca 0.50 1.22 -0.07 0.00 -0.22 0.00 0.00 54.13 55.56 3k0x s LEU 6 Cb -0.20 -3.33 -0.01 0.00 0.50 0.00 0.00 46.19 43.16 3k0x s LEU 6 CO 0.19 -0.50 0.43 0.27 -1.32 0.00 0.00 176.35 175.42 3k0x s ILE 7 N 2.59 0.00 0.30 6.68 -0.00 -0.56 -4.96 121.20 125.26 3k0x s ILE 7 Ca 0.40 -1.56 -0.04 0.00 -0.00 0.00 0.00 60.65 59.45 3k0x s ILE 7 Cb -0.16 -2.43 -0.05 0.00 -0.00 0.00 0.00 42.46 39.83 3k0x s ILE 7 CO 0.10 0.00 0.56 -0.36 -0.00 0.00 0.00 174.94 175.23 3k0x s PHE 8 N -3.63 3.49 0.44 1.37 0.08 -1.26 -4.30 117.98 114.17 3k0x s PHE 8 Ca 0.28 0.58 0.17 0.00 0.12 0.00 0.00 56.93 58.08 3k0x s PHE 8 Cb 0.00 -2.06 1.11 0.00 -0.57 0.00 0.00 43.02 41.50 3k0x s PHE 8 CO 0.14 0.15 1.94 0.82 -0.10 0.00 0.00 175.22 178.16 3k0x h ILE 9 N 1.20 0.79 0.00 0.64 2.04 -1.94 0.26 117.51 120.50 3k0x h ILE 9 Ca -0.48 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.26 3k0x h ILE 9 Cb 1.20 0.41 0.00 0.00 -0.74 0.00 0.00 36.82 37.69 3k0x h ILE 9 CO 0.65 0.06 0.00 -0.46 0.00 0.00 0.00 178.15 178.40 3k0x n ASN 10 N -4.46 0.00 -0.03 1.72 0.23 -1.26 -2.02 115.26 109.44 3k0x n ASN 10 Ca 0.13 -0.69 0.07 0.00 -0.53 0.00 0.00 54.58 53.56 3k0x n ASN 10 Cb 0.54 0.00 -0.07 0.00 -2.08 0.00 0.00 39.78 38.16 3k0x n ASN 10 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3k0x n GLN 11 N -0.95 2.28 -0.26 -3.83 6.02 0.07 -4.62 117.38 116.09 3k0x n GLN 11 Ca 0.13 -0.07 0.04 0.00 -0.01 0.00 0.00 57.00 57.09 3k0x n GLN 11 Cb 0.06 -1.17 0.17 0.00 1.02 0.00 0.00 30.24 30.32 3k0x n GLN 11 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 3k0x h ILE 12 N 0.15 0.78 0.00 5.09 1.08 -1.35 -0.94 117.51 122.31 3k0x h ILE 12 Ca 0.00 -0.20 0.00 0.00 -0.39 0.00 0.00 64.86 64.27 3k0x h ILE 12 Cb 0.35 0.15 0.00 0.00 -3.07 0.00 0.00 36.82 34.25 3k0x h ILE 12 CO 0.00 0.11 0.00 0.59 -0.69 0.00 0.00 178.15 178.16 3k0x n ASN 13 N -4.89 0.58 0.11 1.72 3.02 -1.26 -1.53 115.26 113.01 3k0x n ASN 13 Ca 0.13 0.69 0.12 0.00 -0.03 0.00 0.00 54.58 55.49 3k0x n ASN 13 Cb 0.34 -0.79 0.20 0.00 -0.61 0.00 0.00 39.78 38.92 3k0x n ASN 13 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 3k0x h ASP 14 N 0.00 0.00 -4.03 6.41 3.32 -1.48 -3.47 116.42 117.17 3k0x h ASP 14 Ca 0.00 -0.07 -0.48 0.00 0.02 0.00 0.00 57.03 56.49 3k0x h ASP 14 Cb 0.21 0.00 0.06 0.00 0.22 0.00 0.00 39.33 39.83 3k0x h ASP 14 CO 0.00 0.04 0.28 0.00 -1.72 0.00 0.00 179.24 177.84 3k0x s LYS 16 N -5.14 4.35 0.40 0.00 -0.14 -1.26 -5.00 119.74 112.95 3k0x s LYS 16 Ca 0.55 1.07 -0.26 0.00 -1.36 0.00 0.00 55.97 55.97 3k0x s LYS 16 Cb -0.11 -2.68 -0.11 0.00 -1.68 0.00 0.00 37.83 33.26 3k0x s LYS 16 CO 0.48 0.25 1.19 -0.25 -0.76 0.00 0.00 175.35 176.26 3k0x n ASP 17 N 0.30 2.15 0.00 2.83 10.43 -1.26 -1.61 116.55 129.38 3k0x n ASP 17 Ca 0.02 1.11 0.00 0.00 2.57 0.00 0.00 54.79 58.48 3k0x n ASP 17 Cb 0.51 -1.44 0.00 0.00 1.84 0.00 0.00 41.12 42.03 3k0x n ASP 17 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3k0x n GLY 18 N 0.93 2.00 3.75 0.44 0.00 0.11 -4.97 105.19 107.45 3k0x n GLY 18 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 3k0x n GLY 18 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3k0x s GLN 19 N -0.24 4.51 -0.00 1.61 2.00 -0.63 -4.65 119.66 122.24 3k0x s GLN 19 Ca 0.00 1.95 -0.26 0.00 -2.00 0.00 0.00 55.36 55.04 3k0x s GLN 19 Cb 0.00 -3.17 -0.04 0.00 0.80 0.00 0.00 33.01 30.60 3k0x s GLN 19 CO 0.00 -0.01 0.82 0.21 -0.50 0.00 0.00 175.29 175.81 3k0x s LYS 20 N -1.09 4.51 0.07 1.67 2.20 -1.26 -0.83 119.74 125.00 3k0x s LYS 20 Ca 0.49 1.13 0.01 0.00 -0.36 0.00 0.00 55.97 57.24 3k0x s LYS 20 Cb -0.34 -3.42 -0.03 0.00 -1.51 0.00 0.00 37.83 32.52 3k0x s LYS 20 CO 0.43 0.10 -0.06 -0.51 -0.36 0.00 0.00 175.35 174.94 3k0x s LEU 21 N 0.58 2.40 -0.07 5.43 1.43 0.10 -1.61 118.68 126.95 3k0x s LEU 21 Ca 0.43 -0.82 0.02 0.00 -1.03 0.00 0.00 54.13 52.73 3k0x s LEU 21 Cb -0.20 -0.04 0.02 0.00 0.03 0.00 0.00 46.19 46.00 3k0x s LEU 21 CO 0.23 -0.39 -0.10 -0.60 0.23 0.00 0.00 176.35 175.72 3k0x s ARG 22 N -2.94 1.49 0.18 1.70 3.52 -0.35 -1.08 118.95 121.48 3k0x s ARG 22 Ca 0.02 -0.32 -0.14 0.00 -0.13 0.00 0.00 55.73 55.15 3k0x s ARG 22 Cb -0.00 -1.32 0.01 0.00 -1.56 0.00 0.00 34.95 32.09 3k0x s ARG 22 CO -0.04 -0.04 0.43 -0.59 -0.81 0.00 0.00 175.30 174.25 3k0x s PHE 23 N 0.88 0.08 -0.05 5.12 -0.71 -0.64 -1.50 117.98 121.17 3k0x s PHE 23 Ca -0.11 -0.43 0.01 0.00 -1.04 0.00 0.00 56.93 55.36 3k0x s PHE 23 Cb -0.15 0.22 -0.03 0.00 -1.21 0.00 0.00 43.02 41.85 3k0x s PHE 23 CO 0.01 -0.84 -0.04 -1.17 -1.34 0.00 0.00 175.22 171.84 3k0x s LEU 24 N -2.91 3.33 0.07 -1.99 2.96 -1.26 -0.34 118.68 118.54 3k0x s LEU 24 Ca 0.12 -0.00 -0.23 0.00 -0.22 0.00 0.00 54.13 53.80 3k0x s LEU 24 Cb 0.01 -1.81 0.06 0.00 0.50 0.00 0.00 46.19 44.95 3k0x s LEU 24 CO -0.02 0.34 0.54 -0.83 -1.32 0.00 0.00 176.35 175.06 3k0x s GLY 25 N -1.08 -0.46 -0.14 7.98 0.00 -0.28 -4.53 107.32 108.81 3k0x s GLY 25 Ca 0.15 0.58 -0.11 0.00 0.00 0.00 0.00 44.72 45.33 3k0x s GLY 25 CO 0.04 0.27 0.23 0.00 0.00 0.00 0.00 173.10 173.64 3k0x s VAL 27 N -0.14 3.68 -0.01 0.00 1.01 0.33 -1.30 120.40 123.97 3k0x s VAL 27 Ca 0.15 0.71 -0.08 0.00 0.00 0.00 0.00 61.98 62.76 3k0x s VAL 27 Cb -0.13 -3.84 -0.30 0.00 0.00 0.00 0.00 36.38 32.11 3k0x s VAL 27 CO 0.04 -0.48 0.83 -0.61 0.00 0.00 0.00 175.10 174.87 3k0x h GLN 28 N 11.56 0.35 -1.93 2.72 4.15 -1.12 0.41 115.11 131.25 3k0x h GLN 28 Ca -0.32 -0.60 0.05 0.00 0.77 0.00 0.00 58.65 58.55 3k0x h GLN 28 Cb 1.14 0.22 -0.19 0.00 0.21 0.00 0.00 27.48 28.86 3k0x h GLN 28 CO 1.04 1.25 0.43 -1.54 -1.93 0.00 0.00 178.83 178.08 3k0x s SER 29 N -7.20 -0.45 -0.28 -0.69 1.04 -1.17 -4.79 113.70 100.16 3k0x s SER 29 Ca -0.11 0.35 -0.03 0.00 0.48 0.00 0.00 55.95 56.64 3k0x s SER 29 Cb 0.06 0.40 0.11 0.00 0.10 0.00 0.00 66.02 66.69 3k0x s SER 29 CO 0.87 -0.51 0.19 -0.47 0.98 0.00 0.00 173.24 174.30 3k0x s TYR 30 N -1.81 0.01 -0.05 5.02 5.04 -1.26 -1.17 117.35 123.13 3k0x s TYR 30 Ca -0.02 -0.57 -0.04 0.00 -2.44 0.00 0.00 57.07 54.00 3k0x s TYR 30 Cb -0.01 -0.72 0.02 0.00 0.35 0.00 0.00 41.96 41.61 3k0x s TYR 30 CO -0.00 -0.85 0.14 0.21 -1.34 0.00 0.00 175.55 173.71 3k0x s LYS 31 N 2.20 0.14 -1.55 4.97 2.20 -0.58 -4.94 119.74 122.18 3k0x s LYS 31 Ca 0.09 0.23 -0.07 0.00 -0.36 0.00 0.00 55.97 55.86 3k0x s LYS 31 Cb -0.15 0.01 0.06 0.00 -1.51 0.00 0.00 37.83 36.24 3k0x s LYS 31 CO -0.34 -0.06 0.46 -1.71 -0.36 0.00 0.00 175.35 173.34 3k0x n ASN 32 N 3.32 -1.05 0.00 1.43 5.15 -1.26 -1.33 115.26 121.52 3k0x n ASN 32 Ca -0.16 -1.08 0.00 0.00 -0.60 0.00 0.00 54.58 52.74 3k0x n ASN 32 Cb 0.57 -2.59 0.00 0.00 -0.53 0.00 0.00 39.78 37.23 3k0x n ASN 32 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3k0x n GLY 33 N -1.87 0.79 3.25 8.20 0.00 -1.26 -5.03 105.19 109.26 3k0x n GLY 33 Ca -0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.53 3k0x n GLY 33 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3k0x s ILE 34 N -2.99 2.16 -0.25 -0.61 -1.09 -0.45 -2.07 121.20 115.91 3k0x s ILE 34 Ca 0.00 -1.00 -0.01 0.00 -2.23 0.00 0.00 60.65 57.41 3k0x s ILE 34 Cb 0.00 -1.82 0.03 0.00 -1.58 0.00 0.00 42.46 39.10 3k0x s ILE 34 CO 0.00 0.56 -0.07 -0.22 -1.23 0.00 0.00 174.94 173.98 3k0x s LEU 35 N 0.15 3.24 -0.31 2.97 2.96 0.13 -1.53 118.68 126.29 3k0x s LEU 35 Ca -0.13 -0.98 -0.15 0.00 -0.22 0.00 0.00 54.13 52.65 3k0x s LEU 35 Cb -0.16 -1.64 -0.03 0.00 0.50 0.00 0.00 46.19 44.86 3k0x s LEU 35 CO 0.07 -0.14 0.35 -0.13 -1.32 0.00 0.00 176.35 175.17 3k0x s ARG 36 N 1.28 3.77 -0.03 1.98 0.52 -0.32 0.35 118.95 126.50 3k0x s ARG 36 Ca -0.02 -0.24 0.03 0.00 -0.52 0.00 0.00 55.73 54.98 3k0x s ARG 36 Cb -0.17 -3.74 -0.03 0.00 0.52 0.00 0.00 34.95 31.53 3k0x s ARG 36 CO -0.05 -0.40 -0.09 -0.51 0.02 0.00 0.00 175.30 174.28 3k0x s LEU 37 N 2.01 3.06 0.02 2.53 1.02 -0.56 -0.46 118.68 126.29 3k0x s LEU 37 Ca 0.12 -0.13 0.03 0.00 0.02 0.00 0.00 54.13 54.18 3k0x s LEU 37 Cb -0.16 -1.71 -0.01 0.00 0.02 0.00 0.00 46.19 44.33 3k0x s LEU 37 CO 0.11 0.32 -0.10 -0.63 0.02 0.00 0.00 176.35 176.07 3k0x s ILE 38 N -0.88 0.76 -0.26 -0.59 1.09 -0.42 -0.87 121.20 120.04 3k0x s ILE 38 Ca 0.14 -0.70 -0.04 0.00 -1.10 0.00 0.00 60.65 58.96 3k0x s ILE 38 Cb -0.11 -0.70 0.09 0.00 -1.06 0.00 0.00 42.46 40.68 3k0x s ILE 38 CO 0.04 0.01 0.11 -0.62 -0.10 0.00 0.00 174.94 174.38 3k0x s ASP 39 N -0.78 3.33 1.47 3.58 2.15 0.21 -0.63 116.67 126.01 3k0x s ASP 39 Ca -0.00 -1.17 0.00 0.00 0.43 0.00 0.00 52.55 51.81 3k0x s ASP 39 Cb -0.06 -0.44 0.00 0.00 -0.30 0.00 0.00 42.92 42.12 3k0x s ASP 39 CO 0.00 -0.41 0.00 0.61 -0.17 0.00 0.00 175.17 175.21 3k0x n GLY 40 N 5.17 2.54 0.29 2.66 0.00 -1.26 -1.87 105.19 112.72 3k0x n GLY 40 Ca -0.06 -0.34 0.08 0.00 0.00 0.00 0.00 46.02 45.71 3k0x n GLY 40 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3k0x n SER 41 N 4.74 0.86 -4.58 1.61 3.41 -1.26 -4.88 113.62 113.52 3k0x n SER 41 Ca 0.00 -1.68 -0.30 0.00 -0.26 0.00 0.00 58.87 56.63 3k0x n SER 41 Cb 0.00 -0.07 -0.10 0.00 -0.26 0.00 0.00 64.21 63.78 3k0x n SER 41 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3k0x s SER 42 N -1.42 4.39 0.11 4.04 0.01 -0.78 -5.13 113.70 114.93 3k0x s SER 42 Ca 0.25 -0.38 -0.04 0.00 1.31 0.00 0.00 55.95 57.09 3k0x s SER 42 Cb 0.13 -0.84 -0.03 0.00 0.21 0.00 0.00 66.02 65.49 3k0x s SER 42 CO 0.20 0.18 0.10 -0.94 0.41 0.00 0.00 173.24 173.19 3k0x s SER 43 N -2.17 0.27 -0.08 2.44 1.04 -1.26 -0.62 113.70 113.32 3k0x s SER 43 Ca 0.21 -1.01 -0.10 0.00 0.48 0.00 0.00 55.95 55.53 3k0x s SER 43 Cb -0.11 0.31 0.02 0.00 0.10 0.00 0.00 66.02 66.34 3k0x s SER 43 CO 0.13 -0.73 0.27 0.54 0.98 0.00 0.00 173.24 174.43 3k0x s VAL 44 N -3.97 0.02 -0.21 5.02 0.11 -0.05 -4.88 120.40 116.44 3k0x s VAL 44 Ca 0.16 -0.14 -0.14 0.00 -2.93 0.00 0.00 61.98 58.92 3k0x s VAL 44 Cb 0.06 -0.43 -0.04 0.00 -1.53 0.00 0.00 36.38 34.44 3k0x s VAL 44 CO -0.03 -0.08 0.33 -0.89 -3.33 0.00 0.00 175.10 171.09 3k0x s THR 45 N -0.24 5.25 -0.14 5.04 2.01 -0.37 -1.50 115.64 125.69 3k0x s THR 45 Ca -0.04 0.55 -0.01 0.00 0.31 0.00 0.00 61.69 62.51 3k0x s THR 45 Cb -0.03 -3.66 -0.01 0.00 0.01 0.00 0.00 72.50 68.81 3k0x s THR 45 CO 0.01 0.28 -0.12 0.00 -0.69 0.00 0.00 174.62 174.11 3k0x s ASP 47 N 0.51 6.24 -1.16 0.00 -1.08 0.29 -0.70 116.67 120.78 3k0x s ASP 47 Ca -0.08 -0.68 -0.11 0.00 -0.52 0.00 0.00 52.55 51.16 3k0x s ASP 47 Cb -0.16 -2.28 0.23 0.00 -1.46 0.00 0.00 42.92 39.26 3k0x s ASP 47 CO 0.04 -0.77 1.25 -0.69 0.52 0.00 0.00 175.17 175.52 3k0x s VAL 48 N 2.54 5.59 0.49 1.11 1.01 -0.88 -1.45 120.40 128.81 3k0x s VAL 48 Ca 0.16 -3.09 0.25 0.00 0.00 0.00 0.00 61.98 59.30 3k0x s VAL 48 Cb -0.17 -4.74 0.29 0.00 0.00 0.00 0.00 36.38 31.76 3k0x s VAL 48 CO 0.14 -1.38 2.13 0.74 0.00 0.00 0.00 175.10 176.73 3k0x h THR 49 N 4.09 0.69 -3.76 3.92 2.02 -1.85 -3.41 112.91 114.61 3k0x h THR 49 Ca 0.24 -0.33 -0.42 0.00 0.77 0.00 0.00 66.41 66.67 3k0x h THR 49 Cb 0.87 1.20 -0.31 0.00 -1.74 0.00 0.00 68.15 68.17 3k0x h THR 49 CO 1.12 0.08 -0.78 -0.69 0.37 0.00 0.00 175.52 175.61 3k0x s VAL 50 N -4.49 0.71 -0.43 3.16 1.01 -1.26 -5.10 120.40 114.00 3k0x s VAL 50 Ca -0.04 -0.31 -0.24 0.00 0.00 0.00 0.00 61.98 61.39 3k0x s VAL 50 Cb 0.15 -0.65 0.02 0.00 0.00 0.00 0.00 36.38 35.90 3k0x s VAL 50 CO 0.60 0.23 0.86 -0.69 0.00 0.00 0.00 175.10 176.10 3k0x s VAL 51 N 0.28 4.58 0.29 2.92 1.01 -1.26 -5.04 120.40 123.18 3k0x s VAL 51 Ca -0.04 0.76 0.08 0.00 0.00 0.00 0.00 61.98 62.77 3k0x s VAL 51 Cb -0.09 -4.35 -0.04 0.00 0.00 0.00 0.00 36.38 31.90 3k0x s VAL 51 CO 0.00 -0.69 0.16 -0.76 0.00 0.00 0.00 175.10 173.82 3k0x s LEU 52 N 3.48 3.52 0.74 3.92 1.43 -1.26 -5.10 118.68 125.40 3k0x s LEU 52 Ca 0.34 -0.49 -0.15 0.00 -1.03 0.00 0.00 54.13 52.79 3k0x s LEU 52 Cb -0.11 -2.06 0.03 0.00 0.03 0.00 0.00 46.19 44.08 3k0x s LEU 52 CO 0.23 -0.15 1.16 -0.81 0.23 0.00 0.00 176.35 177.00 3k0x n PRO 53 N -1.16 0.56 -2.34 1.29 -0.04 -1.26 -3.91 135.00 128.14 3k0x n PRO 53 Ca -0.05 0.26 -0.17 0.00 -0.04 0.00 0.00 63.50 63.49 3k0x n PRO 53 Cb 0.59 -2.40 -0.01 0.00 -0.04 0.00 0.00 33.50 31.64 3k0x n PRO 53 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3k0x n ASP 54 N -2.38 -5.00 -3.83 3.54 5.68 -1.26 -5.00 116.55 108.30 3k0x n ASP 54 Ca 0.14 -0.02 -0.30 0.00 -0.50 0.00 0.00 54.79 54.11 3k0x n ASP 54 Cb 0.49 -4.09 -0.15 0.00 -1.14 0.00 0.00 41.12 36.24 3k0x n ASP 54 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3k0x s VAL 55 N -2.85 1.34 -0.31 2.12 0.11 -1.25 -5.05 120.40 114.51 3k0x s VAL 55 Ca 0.01 -1.71 -0.10 0.00 -2.93 0.00 0.00 61.98 57.24 3k0x s VAL 55 Cb -0.00 -2.01 -0.01 0.00 -1.53 0.00 0.00 36.38 32.83 3k0x s VAL 55 CO 0.01 -0.65 0.17 -0.55 -3.33 0.00 0.00 175.10 170.75 3k0x s SER 56 N 1.38 5.67 -0.00 3.54 0.15 -1.26 -5.01 113.70 118.17 3k0x s SER 56 Ca 0.10 -0.46 0.05 0.00 0.70 0.00 0.00 55.95 56.33 3k0x s SER 56 Cb -0.18 -2.03 -0.03 0.00 -1.71 0.00 0.00 66.02 62.07 3k0x s SER 56 CO -0.20 -0.19 -0.13 -0.63 1.20 0.00 0.00 173.24 173.29 3k0x s ILE 57 N 1.64 3.16 0.01 6.45 1.01 -1.26 -5.01 121.20 127.20 3k0x s ILE 57 Ca 0.05 -0.90 0.01 0.00 0.00 0.00 0.00 60.65 59.81 3k0x s ILE 57 Cb -0.17 -2.32 -0.01 0.00 0.01 0.00 0.00 42.46 39.98 3k0x s ILE 57 CO 0.07 0.44 -0.03 -1.58 0.00 0.00 0.00 174.94 173.85 3k0x s GLN 58 N -1.20 0.23 0.34 2.79 0.74 -1.26 -5.09 119.66 116.21 3k0x s GLN 58 Ca 0.14 -0.24 -0.27 0.00 0.05 0.00 0.00 55.36 55.05 3k0x s GLN 58 Cb -0.11 -0.13 -0.13 0.00 1.10 0.00 0.00 33.01 33.75 3k0x s GLN 58 CO 0.04 0.03 1.05 1.17 -0.55 0.00 0.00 175.29 177.03 3k0x n LYS 59 N 2.62 1.47 -0.91 1.67 4.81 -1.26 -2.48 118.16 124.09 3k0x n LYS 59 Ca -0.15 0.52 0.00 0.00 -0.87 0.00 0.00 58.31 57.81 3k0x n LYS 59 Cb 0.58 -1.98 0.00 0.00 0.02 0.00 0.00 35.03 33.65 3k0x n LYS 59 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 3k0x n HIS 60 N -0.00 0.00 -3.16 5.64 8.25 0.14 -4.93 115.22 121.16 3k0x n HIS 60 Ca 0.09 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.30 3k0x n HIS 60 Cb 0.35 -0.64 -0.01 0.00 1.12 0.00 0.00 29.99 30.82 3k0x n HIS 60 CO 0.00 0.00 0.00 -1.83 0.64 0.00 0.00 176.34 175.15 3k0x s GLU 61 N -0.54 3.51 -0.09 -0.41 -1.05 -1.03 -4.63 118.70 114.45 3k0x s GLU 61 Ca 0.00 -0.16 -0.17 0.00 -0.15 0.00 0.00 54.97 54.49 3k0x s GLU 61 Cb 0.00 -2.58 -0.05 0.00 -0.44 0.00 0.00 34.13 31.07 3k0x s GLU 61 CO 0.00 0.05 0.45 -1.58 0.95 0.00 0.00 175.26 175.13 3k0x s TRP 62 N -2.43 3.56 0.07 4.83 0.52 -1.26 -0.51 118.94 123.71 3k0x s TRP 62 Ca 0.42 0.89 0.06 0.00 0.02 0.00 0.00 56.10 57.49 3k0x s TRP 62 Cb -0.10 -2.48 -0.03 0.00 -1.15 0.00 0.00 33.47 29.71 3k0x s TRP 62 CO 0.38 0.27 -0.15 -0.51 0.02 0.00 0.00 176.95 176.96 3k0x s LEU 63 N 0.25 2.25 -0.23 2.99 1.43 0.39 -2.10 118.68 123.66 3k0x s LEU 63 Ca 0.25 -0.58 -0.12 0.00 -1.03 0.00 0.00 54.13 52.65 3k0x s LEU 63 Cb -0.15 -0.61 -0.05 0.00 0.03 0.00 0.00 46.19 45.40 3k0x s LEU 63 CO 0.10 -0.02 0.21 0.20 0.23 0.00 0.00 176.35 177.07 3k0x s ASN 64 N -1.60 6.19 -0.09 2.29 -0.87 0.23 -1.12 114.94 119.97 3k0x s ASN 64 Ca 0.01 0.20 0.03 0.00 -1.57 0.00 0.00 52.86 51.53 3k0x s ASN 64 Cb -0.09 -2.13 -0.02 0.00 -0.02 0.00 0.00 41.25 38.99 3k0x s ASN 64 CO 0.02 0.04 -0.17 -0.63 -2.57 0.00 0.00 177.10 173.79 3k0x s ILE 65 N 1.07 2.74 -0.15 0.60 -1.09 0.53 -0.69 121.20 124.21 3k0x s ILE 65 Ca 0.10 -0.81 -0.01 0.00 -2.23 0.00 0.00 60.65 57.70 3k0x s ILE 65 Cb -0.14 -2.09 -0.01 0.00 -1.58 0.00 0.00 42.46 38.64 3k0x s ILE 65 CO 0.05 0.56 -0.11 -0.69 -1.23 0.00 0.00 174.94 173.51 3k0x s VAL 66 N -0.09 3.11 0.21 2.92 1.01 0.04 -1.62 120.40 125.98 3k0x s VAL 66 Ca -0.03 -0.63 -0.11 0.00 0.00 0.00 0.00 61.98 61.21 3k0x s VAL 66 Cb -0.14 -2.33 0.04 0.00 0.00 0.00 0.00 36.38 33.95 3k0x s VAL 66 CO 0.04 0.50 0.56 0.61 0.00 0.00 0.00 175.10 176.81 3k0x n GLY 67 N 3.81 1.17 3.40 4.51 0.00 -0.24 -0.42 105.19 117.42 3k0x n GLY 67 Ca -0.18 -1.13 -0.32 0.00 0.00 0.00 0.00 46.02 44.38 3k0x n GLY 67 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3k0x s ARG 68 N -2.05 2.73 0.11 1.61 0.52 0.60 0.02 118.95 122.50 3k0x s ARG 68 Ca 0.12 -0.74 -0.31 0.00 -0.52 0.00 0.00 55.73 54.27 3k0x s ARG 68 Cb -0.03 -2.39 -0.07 0.00 0.52 0.00 0.00 34.95 32.98 3k0x s ARG 68 CO 0.06 0.46 1.33 0.21 0.02 0.00 0.00 175.30 177.39 3k0x s LYS 69 N -0.32 4.36 -0.16 3.54 2.20 -0.01 -0.65 119.74 128.68 3k0x s LYS 69 Ca 0.02 1.99 -0.11 0.00 -0.36 0.00 0.00 55.97 57.51 3k0x s LYS 69 Cb -0.13 -3.27 -0.23 0.00 -1.51 0.00 0.00 37.83 32.70 3k0x s LYS 69 CO 0.02 -0.37 0.25 -2.13 -0.36 0.00 0.00 175.35 172.76 3k0x n ARG 70 N 3.80 0.68 -3.82 4.03 0.63 0.10 0.04 116.66 122.13 3k0x n ARG 70 Ca 0.10 0.36 -0.01 0.00 -0.92 0.00 0.00 57.85 57.38 3k0x n ARG 70 Cb 0.43 -1.70 0.01 0.00 0.45 0.00 0.00 32.46 31.65 3k0x n ARG 70 CO 0.00 0.00 0.00 1.14 -2.51 0.00 0.00 177.63 176.26 3k0x s GLN 71 N -2.49 0.92 0.25 -0.14 -2.07 -1.16 -4.65 119.66 110.32 3k0x s GLN 71 Ca -0.26 -0.56 -0.30 0.00 -1.82 0.00 0.00 55.36 52.41 3k0x s GLN 71 Cb 0.07 0.28 -0.14 0.00 -1.09 0.00 0.00 33.01 32.13 3k0x s GLN 71 CO 0.69 -0.43 1.21 -0.25 -1.32 0.00 0.00 175.29 175.19 3k0x n ASP 72 N -0.89 1.97 0.00 12.60 9.92 -1.26 -1.73 116.55 137.17 3k0x n ASP 72 Ca -0.03 1.16 0.00 0.00 -0.53 0.00 0.00 54.79 55.39 3k0x n ASP 72 Cb 0.60 -1.34 0.00 0.00 -0.64 0.00 0.00 41.12 39.74 3k0x n ASP 72 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3k0x n GLY 73 N 1.67 0.57 2.74 0.44 0.00 -1.26 -4.99 105.19 104.36 3k0x n GLY 73 Ca 0.11 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.96 3k0x n GLY 73 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3k0x s ILE 74 N -2.60 -0.02 -0.08 -0.61 1.01 -0.70 -1.23 121.20 116.96 3k0x s ILE 74 Ca 0.00 0.27 0.03 0.00 0.00 0.00 0.00 60.65 60.95 3k0x s ILE 74 Cb 0.00 -0.16 0.01 0.00 0.01 0.00 0.00 42.46 42.32 3k0x s ILE 74 CO 0.00 0.14 -0.17 -0.69 0.00 0.00 0.00 174.94 174.21 3k0x s VAL 75 N 1.50 1.54 -0.27 2.92 1.01 -0.61 0.03 120.40 126.51 3k0x s VAL 75 Ca -0.03 -0.72 -0.24 0.00 0.00 0.00 0.00 61.98 60.98 3k0x s VAL 75 Cb -0.13 -1.36 -0.00 0.00 0.00 0.00 0.00 36.38 34.89 3k0x s VAL 75 CO -0.03 0.44 0.82 -1.81 0.00 0.00 0.00 175.10 174.53 3k0x s ASP 76 N 0.48 6.77 0.28 3.32 1.01 0.17 -0.55 116.67 128.15 3k0x s ASP 76 Ca -0.15 0.90 -0.29 0.00 0.71 0.00 0.00 52.55 53.71 3k0x s ASP 76 Cb -0.16 -2.43 -0.09 0.00 1.01 0.00 0.00 42.92 41.24 3k0x s ASP 76 CO 0.06 -0.57 1.05 -0.69 0.21 0.00 0.00 175.17 175.23 3k0x s VAL 77 N 2.92 3.67 -0.13 -1.27 1.01 -0.53 -0.29 120.40 125.79 3k0x s VAL 77 Ca 0.34 1.63 0.02 0.00 0.00 0.00 0.00 61.98 63.97 3k0x s VAL 77 Cb -0.15 -4.02 -0.09 0.00 0.00 0.00 0.00 36.38 32.13 3k0x s VAL 77 CO 0.10 0.35 -0.10 0.18 0.00 0.00 0.00 175.10 175.63 3k0x n LEU 78 N 1.12 2.64 -3.61 3.92 4.77 0.43 -4.75 117.00 121.53 3k0x n LEU 78 Ca -0.01 -0.06 -0.16 0.00 -0.03 0.00 0.00 56.01 55.75 3k0x n LEU 78 Cb 0.46 -0.37 -0.07 0.00 -2.33 0.00 0.00 43.42 41.11 3k0x n LEU 78 CO 0.52 0.66 0.32 -0.22 -1.33 0.00 0.00 177.39 177.35 3k0x s LEU 79 N -5.64 -0.29 -0.07 2.23 2.96 -0.78 -4.99 118.68 112.10 3k0x s LEU 79 Ca -0.16 0.76 0.02 0.00 -0.22 0.00 0.00 54.13 54.53 3k0x s LEU 79 Cb 0.04 2.18 0.01 0.00 0.50 0.00 0.00 46.19 48.93 3k0x s LEU 79 CO 0.31 -0.46 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.13 3k0x s ILE 80 N -0.76 1.16 0.02 6.68 1.01 -1.26 -0.78 121.20 127.28 3k0x s ILE 80 Ca -0.08 -0.48 0.07 0.00 0.00 0.00 0.00 60.65 60.15 3k0x s ILE 80 Cb -0.02 -1.07 -0.02 0.00 0.01 0.00 0.00 42.46 41.36 3k0x s ILE 80 CO 0.06 0.36 -0.19 -0.13 0.00 0.00 0.00 174.94 175.04 3k0x s ARG 81 N 0.74 1.40 0.55 2.79 1.81 0.13 -4.97 118.95 121.40 3k0x s ARG 81 Ca -0.13 -0.82 -0.20 0.00 -1.72 0.00 0.00 55.73 52.86 3k0x s ARG 81 Cb -0.16 -1.45 -0.06 0.00 -0.45 0.00 0.00 34.95 32.84 3k0x s ARG 81 CO 0.03 0.38 1.14 0.45 -0.68 0.00 0.00 175.30 176.62 3k0x s SER 82 N -0.89 5.68 -0.15 0.23 0.15 -1.26 -0.60 113.70 116.85 3k0x s SER 82 Ca 0.07 2.21 0.15 0.00 0.70 0.00 0.00 55.95 59.07 3k0x s SER 82 Cb -0.08 -2.58 0.40 0.00 -1.71 0.00 0.00 66.02 62.05 3k0x s SER 82 CO 0.01 -1.25 1.20 0.00 1.20 0.00 0.00 173.24 174.40 3k0x n ALA 83 N -1.30 3.22 -1.67 5.45 0.00 -0.89 -4.69 120.51 120.63 3k0x n ALA 83 Ca 0.12 -2.98 -0.44 0.00 0.00 0.00 0.00 53.44 50.13 3k0x n ALA 83 Cb 0.51 -0.45 -0.02 0.00 0.00 0.00 0.00 19.45 19.49 3k0x n ALA 83 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 3k0x n VAL 84 N -0.74 1.21 -0.98 0.00 3.14 -1.26 -1.39 118.33 118.32 3k0x n VAL 84 Ca 0.15 -0.30 0.00 0.00 -2.96 0.00 0.00 64.34 61.23 3k0x n VAL 84 Cb 0.79 -1.48 0.00 0.00 -1.06 0.00 0.00 33.84 32.09 3k0x n VAL 84 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3k0x n GLY 85 N 1.82 0.70 3.74 7.55 0.00 -1.26 -4.99 105.19 112.75 3k0x n GLY 85 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 3k0x n GLY 85 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3k0x n ILE 86 N -2.44 1.76 -2.84 -0.61 3.06 -0.48 -4.91 119.36 112.90 3k0x n ILE 86 Ca 0.00 -0.44 -0.43 0.00 -2.50 0.00 0.00 62.75 59.38 3k0x n ILE 86 Cb 0.02 -1.79 -0.04 0.00 0.54 0.00 0.00 39.64 38.37 3k0x n ILE 86 CO 0.00 0.00 0.00 0.21 -2.50 0.00 0.00 176.55 174.26 3k0x s ASN 87 N -0.06 6.19 0.11 9.51 3.84 -1.26 -4.92 114.94 128.35 3k0x s ASN 87 Ca 0.57 -0.89 -0.17 0.00 0.21 0.00 0.00 52.86 52.58 3k0x s ASN 87 Cb -0.53 -2.43 -0.04 0.00 -0.55 0.00 0.00 41.25 37.71 3k0x s ASN 87 CO 0.60 -1.44 1.60 -0.07 -2.79 0.00 0.00 177.10 175.00 3k0x h LEU 88 N 11.40 0.53 -0.76 3.21 3.38 -1.99 -0.29 115.31 130.79 3k0x h LEU 88 Ca -0.28 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.41 3k0x h LEU 88 Cb 1.07 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.65 3k0x h LEU 88 CO 1.18 0.64 0.34 -0.65 0.09 0.00 0.00 178.44 180.03 3k0x h PRO 89 N 0.40 1.10 -0.70 1.13 0.11 -2.00 -2.04 132.00 130.00 3k0x h PRO 89 Ca 0.11 -0.18 -0.06 0.00 0.11 0.00 0.00 66.00 65.98 3k0x h PRO 89 Cb 0.33 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 31.21 3k0x h PRO 89 CO 0.00 0.88 0.19 0.00 -0.21 0.00 0.00 178.00 178.86 3k0x h ARG 90 N 1.07 1.09 -0.59 1.05 2.47 -1.94 -1.97 114.38 115.57 3k0x h ARG 90 Ca 0.26 -0.24 0.04 0.00 -1.26 0.00 0.00 59.98 58.77 3k0x h ARG 90 Cb 0.16 -0.15 -0.04 0.00 -1.65 0.00 0.00 29.97 28.28 3k0x h ARG 90 CO -0.03 0.95 0.34 -0.92 0.56 0.00 0.00 179.97 180.86 3k0x h TYR 91 N 1.04 0.62 -0.63 3.04 3.20 -0.65 -0.74 116.97 122.86 3k0x h TYR 91 Ca 0.22 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 62.04 3k0x h TYR 91 Cb 0.33 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.38 3k0x h TYR 91 CO 0.03 0.33 0.10 0.00 -1.64 0.00 0.00 178.16 176.98 3k0x h ARG 92 N 0.65 1.04 -0.62 1.82 3.08 -1.20 -0.72 114.38 118.42 3k0x h ARG 92 Ca 0.25 -0.28 -0.06 0.00 0.07 0.00 0.00 59.98 59.96 3k0x h ARG 92 Cb 0.09 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 29.99 3k0x h ARG 92 CO -0.13 0.97 0.14 1.96 -1.07 0.00 0.00 179.97 181.84 3k0x h GLN 93 N 0.95 1.01 -0.52 0.04 4.20 -0.83 -1.47 115.11 118.49 3k0x h GLN 93 Ca 0.19 -0.25 -0.07 0.00 0.06 0.00 0.00 58.65 58.58 3k0x h GLN 93 Cb 0.43 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 3k0x h GLN 93 CO 0.01 0.92 0.05 0.52 -0.67 0.00 0.00 178.83 179.66 3k0x h MET 94 N 0.92 0.88 -0.12 1.46 2.86 -0.87 0.23 114.93 120.29 3k0x h MET 94 Ca 0.20 -0.25 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 3k0x h MET 94 Cb 0.37 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 3k0x h MET 94 CO 0.00 0.88 0.03 0.28 1.06 0.00 0.00 176.91 179.17 3k0x h VAL 95 N 0.76 1.19 -0.16 -2.22 2.07 -1.04 -2.54 116.25 114.30 3k0x h VAL 95 Ca 0.15 -0.57 -0.03 0.00 0.82 0.00 0.00 66.70 67.07 3k0x h VAL 95 Cb 0.45 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 3k0x h VAL 95 CO 0.02 0.17 -0.03 0.28 0.02 0.00 0.00 177.57 178.02 3k0x h SER 96 N 0.00 0.22 -0.51 0.57 0.02 -1.19 -1.93 113.55 110.74 3k0x h SER 96 Ca 0.04 -0.03 -0.12 0.00 -0.84 0.00 0.00 61.79 60.84 3k0x h SER 96 Cb 0.23 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.70 3k0x h SER 96 CO -0.00 0.29 -0.17 -0.08 -1.14 0.00 0.00 176.83 175.74 3k0x h GLU 97 N 0.23 1.02 -0.49 3.45 4.57 -0.68 -0.05 114.58 122.64 3k0x h GLU 97 Ca 0.05 -0.41 -0.12 0.00 -1.18 0.00 0.00 59.36 57.71 3k0x h GLU 97 Cb 0.22 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.75 3k0x h GLU 97 CO 0.01 1.09 -0.17 0.00 -1.18 0.00 0.00 179.01 178.76 3k0x h ARG 98 N 0.89 0.96 0.00 1.92 3.08 -1.03 -2.80 114.38 117.39 3k0x h ARG 98 Ca 0.13 -0.38 -0.00 0.00 0.07 0.00 0.00 59.98 59.80 3k0x h ARG 98 Cb 0.74 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.74 3k0x h ARG 98 CO 0.06 1.04 -0.00 1.96 -1.07 0.00 0.00 179.97 181.96 3k0x h GLN 99 N 0.84 0.00 0.00 0.04 4.20 -0.86 -1.63 115.11 117.70 3k0x h GLN 99 Ca 0.12 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.82 3k0x h GLN 99 Cb 0.73 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.50 3k0x h GLN 99 CO 0.06 0.00 -0.06 0.87 -0.67 0.00 0.00 178.83 179.03 3k0x h LYS 100 N 0.00 0.00 -0.42 1.46 1.57 -0.74 -3.07 116.57 115.37 3k0x h LYS 100 Ca -0.00 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 3k0x h LYS 100 Cb 0.58 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.87 3k0x h LYS 100 CO 0.00 0.06 -0.02 0.00 -0.57 0.00 0.00 179.45 178.91