#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vj6 s LYS 9 N 0.00 1.15 -0.27 0.03 -0.14 -1.26 -5.08 119.74 114.18 1vj6 s LYS 9 Ca 0.00 -1.19 -0.29 0.00 -1.36 0.00 0.00 55.97 53.13 1vj6 s LYS 9 Cb 0.00 -1.41 -0.03 0.00 -1.68 0.00 0.00 37.83 34.71 1vj6 s LYS 9 CO 0.00 0.33 1.78 -2.14 -0.76 0.00 0.00 175.35 174.55 1vj6 s PRO 10 N -1.99 3.51 0.00 -1.68 0.02 -1.26 -3.05 135.00 130.55 1vj6 s PRO 10 Ca 0.08 1.61 0.00 0.00 0.02 0.00 0.00 61.00 62.71 1vj6 s PRO 10 Cb -0.10 -4.16 0.00 0.00 0.02 0.00 0.00 34.50 30.27 1vj6 s PRO 10 CO 0.05 -1.64 0.00 0.41 -0.33 0.00 0.00 177.00 175.48 1vj6 n GLY 11 N 5.16 0.80 3.68 0.52 0.00 -1.26 -5.03 105.19 109.06 1vj6 n GLY 11 Ca 0.22 -0.68 -0.42 0.00 0.00 0.00 0.00 46.02 45.14 1vj6 n GLY 11 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1vj6 s ASP 12 N -2.89 6.89 -0.14 1.61 2.15 -1.17 -4.77 116.67 118.36 1vj6 s ASP 12 Ca 0.00 1.96 -0.13 0.00 0.43 0.00 0.00 52.55 54.81 1vj6 s ASP 12 Cb 0.00 -2.55 -0.05 0.00 -0.30 0.00 0.00 42.92 40.02 1vj6 s ASP 12 CO 0.00 -0.73 0.27 0.42 -0.17 0.00 0.00 175.17 174.96 1vj6 s THR 13 N 2.85 5.31 -0.24 1.71 -4.23 -1.26 -1.44 115.64 118.34 1vj6 s THR 13 Ca 0.61 0.51 0.02 0.00 -1.18 0.00 0.00 61.69 61.65 1vj6 s THR 13 Cb -0.28 -3.59 0.05 0.00 1.34 0.00 0.00 72.50 70.02 1vj6 s THR 13 CO 0.23 0.45 -0.10 0.72 -0.54 0.00 0.00 174.62 175.39 1vj6 s PHE 14 N 0.02 2.82 -1.27 3.99 -0.71 0.22 -4.99 117.98 118.05 1vj6 s PHE 14 Ca 0.17 -1.98 -0.12 0.00 -1.04 0.00 0.00 56.93 53.95 1vj6 s PHE 14 Cb -0.13 -1.77 0.15 0.00 -1.21 0.00 0.00 43.02 40.06 1vj6 s PHE 14 CO 0.05 -0.82 1.71 0.39 -1.34 0.00 0.00 175.22 175.21 1vj6 n GLU 15 N 4.56 3.42 -2.78 1.99 4.71 -1.26 -1.65 120.64 129.64 1vj6 n GLU 15 Ca -0.14 -3.57 -0.42 0.00 -0.01 0.00 0.00 57.16 53.02 1vj6 n GLU 15 Cb 0.44 -3.05 -0.03 0.00 -1.01 0.00 0.00 31.44 27.79 1vj6 n GLU 15 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1vj6 s VAL 16 N 1.42 4.78 -0.18 2.62 1.01 0.05 -4.80 120.40 125.30 1vj6 s VAL 16 Ca 0.43 1.81 -0.09 0.00 0.00 0.00 0.00 61.98 64.13 1vj6 s VAL 16 Cb 0.04 -4.22 -0.05 0.00 0.00 0.00 0.00 36.38 32.16 1vj6 s VAL 16 CO 0.00 -0.09 0.12 -1.83 0.00 0.00 0.00 175.10 173.30 1vj6 s GLU 17 N 2.76 3.96 0.35 2.72 1.03 -1.26 0.48 118.70 128.73 1vj6 s GLU 17 Ca 0.40 -0.23 -0.04 0.00 0.03 0.00 0.00 54.97 55.13 1vj6 s GLU 17 Cb -0.16 -3.31 0.01 0.00 -0.80 0.00 0.00 34.13 29.87 1vj6 s GLU 17 CO 0.09 0.41 0.52 -0.48 -1.33 0.00 0.00 175.26 174.47 1vj6 s LEU 18 N 0.03 0.89 0.11 1.83 2.34 -0.90 -4.99 118.68 117.98 1vj6 s LEU 18 Ca 0.09 -1.44 0.10 0.00 0.06 0.00 0.00 54.13 52.94 1vj6 s LEU 18 Cb -0.11 1.65 -0.04 0.00 -0.56 0.00 0.00 46.19 47.13 1vj6 s LEU 18 CO -0.00 -1.35 -0.27 0.00 -1.06 0.00 0.00 176.35 173.67 1vj6 s ALA 19 N -2.95 2.33 0.18 1.48 0.00 -1.26 -0.27 121.76 121.28 1vj6 s ALA 19 Ca 0.28 -1.41 -0.14 0.00 0.00 0.00 0.00 51.96 50.69 1vj6 s ALA 19 Cb -0.01 -0.40 -0.07 0.00 0.00 0.00 0.00 23.12 22.64 1vj6 s ALA 19 CO 0.19 0.53 0.58 -1.59 0.00 0.00 0.00 175.76 175.48 1vj6 s LYS 20 N -1.85 3.98 -1.00 0.00 0.00 -1.11 -4.90 119.74 114.86 1vj6 s LYS 20 Ca 0.13 0.50 -0.13 0.00 0.00 0.00 0.00 55.97 56.47 1vj6 s LYS 20 Cb -0.10 -2.83 0.22 0.00 0.00 0.00 0.00 37.83 35.12 1vj6 s LYS 20 CO 0.05 0.41 1.05 -0.08 0.00 0.00 0.00 175.35 176.78 1vj6 s THR 21 N -1.58 5.51 -0.66 3.79 -1.32 -0.23 -4.58 115.64 116.56 1vj6 s THR 21 Ca 0.41 -2.67 -0.06 0.00 -1.21 0.00 0.00 61.69 58.16 1vj6 s THR 21 Cb -0.14 -4.64 0.01 0.00 -1.51 0.00 0.00 72.50 66.22 1vj6 s THR 21 CO 0.20 -1.25 0.66 0.47 -2.21 0.00 0.00 174.62 172.48 1vj6 n ASP 22 N 4.24 -7.24 -3.60 8.08 8.00 -1.26 -3.91 116.55 120.86 1vj6 n ASP 22 Ca 0.22 -0.07 -0.20 0.00 0.71 0.00 0.00 54.79 55.45 1vj6 n ASP 22 Cb 0.44 -4.54 0.05 0.00 -0.02 0.00 0.00 41.12 37.05 1vj6 n ASP 22 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1vj6 n GLY 23 N -1.31 -0.35 3.11 0.44 0.00 -1.26 -4.97 105.19 100.84 1vj6 n GLY 23 Ca -0.03 0.14 0.04 0.00 0.00 0.00 0.00 46.02 46.17 1vj6 n GLY 23 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1vj6 s SER 24 N -4.32 -0.81 -0.03 1.61 0.15 -1.25 -4.98 113.70 104.07 1vj6 s SER 24 Ca 0.03 0.00 -0.23 0.00 0.70 0.00 0.00 55.95 56.44 1vj6 s SER 24 Cb -0.01 1.42 -0.23 0.00 -1.71 0.00 0.00 66.02 65.50 1vj6 s SER 24 CO 0.78 -0.14 1.07 -0.07 1.20 0.00 0.00 173.24 176.09 1vj6 h LEU 25 N 7.21 0.28 0.00 3.45 3.38 -1.91 -0.60 115.31 127.12 1vj6 h LEU 25 Ca -0.05 -0.74 0.00 0.00 0.09 0.00 0.00 57.88 57.17 1vj6 h LEU 25 Cb 1.19 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.85 1vj6 h LEU 25 CO -0.01 0.98 0.00 0.61 0.09 0.00 0.00 178.44 180.11 1vj6 n GLY 26 N 0.96 0.94 3.32 0.83 0.00 -1.26 -0.55 105.19 109.43 1vj6 n GLY 26 Ca -0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 1vj6 n GLY 26 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1vj6 s ILE 27 N -0.85 2.38 -0.40 -0.61 -4.36 -1.26 -1.65 121.20 114.45 1vj6 s ILE 27 Ca 0.00 -0.94 -0.22 0.00 -0.26 0.00 0.00 60.65 59.22 1vj6 s ILE 27 Cb 0.00 -1.90 0.01 0.00 1.25 0.00 0.00 42.46 41.82 1vj6 s ILE 27 CO 0.00 0.57 0.73 -0.44 0.24 0.00 0.00 174.94 176.04 1vj6 s SER 28 N -0.14 6.45 0.32 4.36 0.01 0.17 -5.01 113.70 119.86 1vj6 s SER 28 Ca -0.03 0.09 -0.27 0.00 1.31 0.00 0.00 55.95 57.05 1vj6 s SER 28 Cb -0.14 -2.37 -0.10 0.00 0.21 0.00 0.00 66.02 63.63 1vj6 s SER 28 CO 0.04 -0.76 0.96 0.68 0.41 0.00 0.00 173.24 174.57 1vj6 s VAL 29 N 3.04 4.10 0.24 3.43 -7.23 -1.26 -0.94 120.40 121.77 1vj6 s VAL 29 Ca 0.28 1.80 0.01 0.00 -1.81 0.00 0.00 61.98 62.26 1vj6 s VAL 29 Cb -0.13 -4.02 -0.04 0.00 0.56 0.00 0.00 36.38 32.74 1vj6 s VAL 29 CO 0.18 0.19 0.14 0.28 -0.31 0.00 0.00 175.10 175.58 1vj6 s THR 30 N -1.53 0.18 0.00 5.32 -1.32 -0.30 -4.74 115.64 113.25 1vj6 s THR 30 Ca 0.49 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.97 1vj6 s THR 30 Cb -0.21 -2.54 0.00 0.00 -1.51 0.00 0.00 72.50 68.25 1vj6 s THR 30 CO 0.26 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.28 1vj6 n GLY 31 N -0.39 0.59 0.00 6.08 0.00 -1.26 -1.49 105.19 108.72 1vj6 n GLY 31 Ca 0.02 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.98 1vj6 n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vj6 n GLY 32 N 0.00 1.56 0.29 -0.02 0.00 -1.07 -4.39 105.19 101.58 1vj6 n GLY 32 Ca 0.00 -1.76 0.12 0.00 0.00 0.00 0.00 46.02 44.39 1vj6 n GLY 32 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1vj6 h VAL 33 N 0.00 0.81 0.00 1.61 3.04 -0.68 -0.68 116.25 120.34 1vj6 h VAL 33 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1vj6 h VAL 33 Cb 0.00 0.94 0.00 0.00 -2.01 0.00 0.00 31.29 30.22 1vj6 h VAL 33 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.57 175.43 1vj6 h ASN 34 N 0.00 0.00 0.73 3.17 -1.24 -1.86 -2.72 115.58 113.66 1vj6 h ASN 34 Ca 0.05 0.00 -0.11 0.00 0.71 0.00 0.00 56.30 56.95 1vj6 h ASN 34 Cb 0.21 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.24 1vj6 h ASN 34 CO -0.00 0.00 -1.35 0.41 -1.29 0.00 0.00 177.43 175.20 1vj6 n THR 35 N -2.36 0.92 -1.85 -3.57 -1.04 -0.30 -5.04 114.28 101.04 1vj6 n THR 35 Ca 0.05 -0.64 -0.01 0.00 -2.04 0.00 0.00 64.05 61.42 1vj6 n THR 35 Cb 0.43 -0.55 -0.01 0.00 -1.82 0.00 0.00 70.33 68.39 1vj6 n THR 35 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1vj6 n SER 36 N -2.77 -3.01 -2.48 8.00 7.64 -0.97 -5.02 113.62 115.01 1vj6 n SER 36 Ca -0.07 0.42 -0.23 0.00 1.01 0.00 0.00 58.87 60.01 1vj6 n SER 36 Cb 0.73 -2.30 0.01 0.00 -1.01 0.00 0.00 64.21 61.64 1vj6 n SER 36 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1vj6 n VAL 37 N 0.32 2.11 0.00 0.44 0.24 -1.26 -4.96 118.33 115.22 1vj6 n VAL 37 Ca -0.05 -4.50 0.00 0.00 -2.04 0.00 0.00 64.34 57.75 1vj6 n VAL 37 Cb 0.07 -0.86 0.00 0.00 -1.47 0.00 0.00 33.84 31.58 1vj6 n VAL 37 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 1vj6 n ARG 38 N -0.42 0.00 0.00 7.34 0.63 -1.26 -4.50 116.66 118.44 1vj6 n ARG 38 Ca 0.33 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.26 1vj6 n ARG 38 Cb 0.72 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.63 1vj6 n ARG 38 CO 0.00 0.00 0.00 1.58 -2.51 0.00 0.00 177.63 176.70 1vj6 n HIS 39 N 0.00 0.00 -2.78 -0.14 -0.00 -1.26 -5.09 115.22 105.95 1vj6 n HIS 39 Ca 0.00 0.00 -0.03 0.00 0.46 0.00 0.00 57.72 58.15 1vj6 n HIS 39 Cb 0.00 0.00 0.05 0.00 -0.12 0.00 0.00 29.99 29.92 1vj6 n HIS 39 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1vj6 n GLY 40 N 5.00 1.70 2.30 1.57 0.00 -1.26 -4.62 105.19 109.88 1vj6 n GLY 40 Ca 0.00 -1.11 -0.11 0.00 0.00 0.00 0.00 46.02 44.80 1vj6 n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vj6 n GLY 41 N -0.45 1.88 3.68 -0.02 0.00 -1.22 -0.82 105.19 108.24 1vj6 n GLY 41 Ca 0.07 -2.18 -0.23 0.00 0.00 0.00 0.00 46.02 43.68 1vj6 n GLY 41 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1vj6 s ILE 42 N -1.15 3.65 0.05 -0.61 1.10 -0.99 -2.58 121.20 120.67 1vj6 s ILE 42 Ca 0.36 -1.75 -0.00 0.00 -0.51 0.00 0.00 60.65 58.74 1vj6 s ILE 42 Cb -0.03 -2.94 -0.04 0.00 0.15 0.00 0.00 42.46 39.61 1vj6 s ILE 42 CO 0.23 -0.33 -0.03 -0.31 -2.11 0.00 0.00 174.94 172.39 1vj6 s TYR 43 N -2.19 0.50 0.15 3.50 1.51 -0.56 -0.42 117.35 119.84 1vj6 s TYR 43 Ca 0.31 -0.92 -0.27 0.00 -1.01 0.00 0.00 57.07 55.18 1vj6 s TYR 43 Cb -0.07 -0.36 -0.07 0.00 -0.11 0.00 0.00 41.96 41.35 1vj6 s TYR 43 CO 0.20 -0.31 0.85 0.08 -1.11 0.00 0.00 175.55 175.27 1vj6 s VAL 44 N -3.26 4.38 -0.24 0.71 1.01 -0.74 -1.15 120.40 121.11 1vj6 s VAL 44 Ca 0.02 1.87 -0.15 0.00 0.00 0.00 0.00 61.98 63.71 1vj6 s VAL 44 Cb 0.03 -4.22 -0.10 0.00 0.00 0.00 0.00 36.38 32.09 1vj6 s VAL 44 CO -0.07 0.45 -0.35 1.17 0.00 0.00 0.00 175.10 176.29 1vj6 n LYS 45 N 2.03 0.56 -4.11 2.72 0.00 -0.12 -4.02 118.16 115.22 1vj6 n LYS 45 Ca -0.03 0.24 -0.14 0.00 0.00 0.00 0.00 58.31 58.38 1vj6 n LYS 45 Cb 0.49 -1.46 -0.12 0.00 0.00 0.00 0.00 35.03 33.94 1vj6 n LYS 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1vj6 s ALA 46 N -2.63 0.58 -0.12 3.14 0.00 -1.16 -4.73 121.76 116.83 1vj6 s ALA 46 Ca -0.35 -0.61 -0.01 0.00 0.00 0.00 0.00 51.96 50.99 1vj6 s ALA 46 Cb 0.11 -0.02 -0.03 0.00 0.00 0.00 0.00 23.12 23.19 1vj6 s ALA 46 CO 0.46 0.04 -0.07 0.42 0.00 0.00 0.00 175.76 176.61 1vj6 s ILE 47 N -0.96 3.62 0.14 0.00 -1.09 -1.26 -0.66 121.20 120.99 1vj6 s ILE 47 Ca -0.05 -0.48 -0.30 0.00 -2.23 0.00 0.00 60.65 57.59 1vj6 s ILE 47 Cb -0.07 -2.53 -0.07 0.00 -1.58 0.00 0.00 42.46 38.21 1vj6 s ILE 47 CO 0.00 0.54 1.15 -0.63 -1.23 0.00 0.00 174.94 174.77 1vj6 s ILE 48 N -0.07 3.90 -0.68 2.92 1.01 -0.66 -4.93 121.20 122.69 1vj6 s ILE 48 Ca 0.00 1.52 -0.26 0.00 0.00 0.00 0.00 60.65 61.92 1vj6 s ILE 48 Cb -0.13 -3.97 -0.07 0.00 0.01 0.00 0.00 42.46 38.30 1vj6 s ILE 48 CO 0.03 0.21 2.17 -2.16 0.00 0.00 0.00 174.94 175.19 1vj6 s PRO 49 N 0.15 2.22 -1.04 2.79 0.04 -1.26 -3.78 135.00 134.12 1vj6 s PRO 49 Ca 0.53 0.63 -0.02 0.00 0.04 0.00 0.00 61.00 62.18 1vj6 s PRO 49 Cb -0.30 -4.68 0.00 0.00 0.04 0.00 0.00 34.50 29.57 1vj6 s PRO 49 CO 0.33 -3.43 0.88 1.63 0.04 0.00 0.00 177.00 176.46 1vj6 n LYS 50 N 8.98 -5.87 0.00 4.56 4.76 -1.26 -5.00 118.16 124.34 1vj6 n LYS 50 Ca 0.35 0.71 0.00 0.00 -2.87 0.00 0.00 58.31 56.50 1vj6 n LYS 50 Cb 0.50 -5.33 0.00 0.00 -1.84 0.00 0.00 35.03 28.36 1vj6 n LYS 50 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1vj6 n GLY 51 N -1.29 -0.70 1.69 0.72 0.00 -1.25 -4.84 105.19 99.52 1vj6 n GLY 51 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1vj6 n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vj6 n ALA 52 N -1.96 2.23 -0.08 4.61 0.00 -0.36 -4.89 120.51 120.06 1vj6 n ALA 52 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1vj6 n ALA 52 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1vj6 n ALA 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vj6 h ALA 53 N 0.00 0.32 -0.52 0.00 0.00 -1.11 -2.49 119.26 115.47 1vj6 h ALA 53 Ca 0.00 -0.31 0.07 0.00 0.00 0.00 0.00 54.91 54.66 1vj6 h ALA 53 Cb 0.00 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1vj6 h ALA 53 CO 0.00 0.19 0.35 1.49 0.00 0.00 0.00 179.25 181.27 1vj6 h GLU 54 N 0.19 0.43 0.00 0.00 4.81 -1.82 -1.91 114.58 116.28 1vj6 h GLU 54 Ca 0.05 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1vj6 h GLU 54 Cb 0.64 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.92 1vj6 h GLU 54 CO 0.04 0.28 0.00 0.45 -0.73 0.00 0.00 179.01 179.05 1vj6 n SER 55 N -4.47 0.00 0.00 1.04 2.88 -0.94 -2.35 113.62 109.77 1vj6 n SER 55 Ca 0.07 -1.04 0.00 0.00 -1.33 0.00 0.00 58.87 56.57 1vj6 n SER 55 Cb 0.26 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.72 1vj6 n SER 55 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1vj6 n ASP 56 N -0.68 0.00 0.00 -3.46 2.03 -0.72 -5.03 116.55 108.69 1vj6 n ASP 56 Ca 0.06 0.06 0.00 0.00 0.52 0.00 0.00 54.79 55.42 1vj6 n ASP 56 Cb 0.03 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.43 1vj6 n ASP 56 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1vj6 n GLY 57 N 0.50 0.52 0.11 0.27 0.00 -0.99 -4.97 105.19 100.63 1vj6 n GLY 57 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 1vj6 n GLY 57 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1vj6 h ARG 58 N 0.00 0.22 -6.51 1.61 3.08 -1.90 -3.46 114.38 107.41 1vj6 h ARG 58 Ca 0.00 -0.37 -0.53 0.00 0.07 0.00 0.00 59.98 59.15 1vj6 h ARG 58 Cb 0.00 0.14 0.04 0.00 0.08 0.00 0.00 29.97 30.23 1vj6 h ARG 58 CO 0.00 1.05 1.11 0.42 -1.07 0.00 0.00 179.97 181.48 1vj6 s ILE 59 N -2.61 2.52 0.24 2.04 1.01 -1.26 -4.99 121.20 118.16 1vj6 s ILE 59 Ca -0.10 0.04 0.05 0.00 0.00 0.00 0.00 60.65 60.64 1vj6 s ILE 59 Cb 0.07 -3.03 -0.02 0.00 0.01 0.00 0.00 42.46 39.49 1vj6 s ILE 59 CO 0.84 -0.00 0.21 1.41 0.00 0.00 0.00 174.94 177.40 1vj6 n HIS 60 N 5.68 -0.61 -2.39 3.97 8.25 -1.26 -4.77 115.22 124.09 1vj6 n HIS 60 Ca 0.18 -2.02 -0.36 0.00 -0.26 0.00 0.00 57.72 55.26 1vj6 n HIS 60 Cb 0.38 0.22 -0.04 0.00 1.12 0.00 0.00 29.99 31.68 1vj6 n HIS 60 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1vj6 s LYS 61 N -2.96 3.25 0.00 -0.41 1.02 -1.26 -3.42 119.74 115.97 1vj6 s LYS 61 Ca 0.29 -0.86 0.00 0.00 0.02 0.00 0.00 55.97 55.42 1vj6 s LYS 61 Cb 0.01 -5.26 0.00 0.00 -0.52 0.00 0.00 37.83 32.06 1vj6 s LYS 61 CO 0.20 -2.60 0.00 0.41 -0.92 0.00 0.00 175.35 172.44 1vj6 n GLY 62 N 6.86 0.16 3.76 -3.33 0.00 -1.26 -5.03 105.19 106.36 1vj6 n GLY 62 Ca 0.36 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.04 1vj6 n GLY 62 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1vj6 s ASP 63 N 0.00 4.85 -0.31 1.61 1.01 -1.22 -4.51 116.67 118.09 1vj6 s ASP 63 Ca 0.00 2.06 -0.09 0.00 0.71 0.00 0.00 52.55 55.23 1vj6 s ASP 63 Cb 0.00 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.38 1vj6 s ASP 63 CO 0.00 -1.81 0.13 -0.60 0.21 0.00 0.00 175.17 173.10 1vj6 s ARG 64 N -4.13 3.19 -0.39 8.23 3.00 -0.60 -1.79 118.95 126.46 1vj6 s ARG 64 Ca 0.68 -0.81 -0.20 0.00 -1.00 0.00 0.00 55.73 54.40 1vj6 s ARG 64 Cb -0.22 -3.51 0.01 0.00 0.00 0.00 0.00 34.95 31.23 1vj6 s ARG 64 CO 0.44 -0.46 0.60 0.08 0.00 0.00 0.00 175.30 175.95 1vj6 s VAL 65 N 1.56 4.91 -0.19 7.11 1.01 0.44 -0.04 120.40 135.21 1vj6 s VAL 65 Ca 0.04 0.29 0.14 0.00 0.00 0.00 0.00 61.98 62.45 1vj6 s VAL 65 Cb -0.17 -4.10 -0.24 0.00 0.00 0.00 0.00 36.38 31.87 1vj6 s VAL 65 CO 0.05 -0.41 0.10 0.00 0.00 0.00 0.00 175.10 174.84 1vj6 n LEU 66 N 6.03 0.61 -3.67 3.92 -0.00 -0.19 -2.34 117.00 121.36 1vj6 n LEU 66 Ca -0.03 0.03 -0.10 0.00 -0.00 0.00 0.00 56.01 55.92 1vj6 n LEU 66 Cb 0.48 0.21 -0.05 0.00 -0.00 0.00 0.00 43.42 44.06 1vj6 n LEU 66 CO 0.50 0.56 0.13 0.00 -0.00 0.00 0.00 177.39 178.57 1vj6 s ALA 67 N -2.51 -0.82 -0.04 1.47 0.00 -1.05 -0.71 121.76 118.10 1vj6 s ALA 67 Ca -0.13 -0.14 -0.00 0.00 0.00 0.00 0.00 51.96 51.68 1vj6 s ALA 67 Cb 0.07 0.68 0.03 0.00 0.00 0.00 0.00 23.12 23.89 1vj6 s ALA 67 CO 0.79 -0.63 0.00 0.08 0.00 0.00 0.00 175.76 176.00 1vj6 s VAL 68 N -3.82 0.22 -1.62 0.00 1.01 -0.06 -0.27 120.40 115.86 1vj6 s VAL 68 Ca 0.04 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.11 1vj6 s VAL 68 Cb 0.02 -0.34 0.00 0.00 0.00 0.00 0.00 36.38 36.06 1vj6 s VAL 68 CO -0.11 0.18 0.00 0.59 0.00 0.00 0.00 175.10 175.75 1vj6 n ASN 69 N 4.39 -5.02 -0.41 3.32 3.02 0.05 -0.23 115.26 120.38 1vj6 n ASN 69 Ca -0.21 0.17 -0.05 0.00 -0.03 0.00 0.00 54.58 54.46 1vj6 n ASN 69 Cb 0.50 -4.29 -0.02 0.00 -0.61 0.00 0.00 39.78 35.36 1vj6 n ASN 69 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1vj6 n GLY 70 N -0.76 0.79 3.13 7.41 0.00 -1.26 -4.99 105.19 109.52 1vj6 n GLY 70 Ca -0.20 -0.68 -0.36 0.00 0.00 0.00 0.00 46.02 44.78 1vj6 n GLY 70 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vj6 s VAL 71 N -2.16 3.24 0.34 1.61 1.01 0.69 -5.08 120.40 120.05 1vj6 s VAL 71 Ca 0.00 -1.90 -0.29 0.00 0.00 0.00 0.00 61.98 59.79 1vj6 s VAL 71 Cb 0.00 -3.15 -0.11 0.00 0.00 0.00 0.00 36.38 33.12 1vj6 s VAL 71 CO 0.00 -0.56 1.52 -0.55 0.00 0.00 0.00 175.10 175.51 1vj6 s SER 72 N 1.69 6.37 -1.18 3.32 0.15 -1.26 -0.89 113.70 121.90 1vj6 s SER 72 Ca 0.06 3.00 -0.16 0.00 0.70 0.00 0.00 55.95 59.54 1vj6 s SER 72 Cb -0.22 -2.65 0.13 0.00 -1.71 0.00 0.00 66.02 61.56 1vj6 s SER 72 CO -0.03 -0.88 1.48 -0.76 1.20 0.00 0.00 173.24 174.25 1vj6 s LEU 73 N -1.45 4.59 -0.51 3.45 1.43 0.11 -4.82 118.68 121.48 1vj6 s LEU 73 Ca 0.57 -2.60 0.02 0.00 -1.03 0.00 0.00 54.13 51.09 1vj6 s LEU 73 Cb -0.47 -2.46 0.44 0.00 0.03 0.00 0.00 46.19 43.73 1vj6 s LEU 73 CO 0.57 -0.96 1.60 1.21 0.23 0.00 0.00 176.35 179.00 1vj6 n GLU 74 N 6.78 3.15 0.00 1.70 2.13 -1.26 -3.37 120.64 129.77 1vj6 n GLU 74 Ca 0.38 -3.79 0.00 0.00 0.66 0.00 0.00 57.16 54.41 1vj6 n GLU 74 Cb 0.45 -2.28 0.00 0.00 0.27 0.00 0.00 31.44 29.88 1vj6 n GLU 74 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1vj6 n GLY 75 N -0.75 0.48 3.58 8.31 0.00 -0.50 -4.89 105.19 111.42 1vj6 n GLY 75 Ca 0.52 -0.37 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 1vj6 n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vj6 s ALA 76 N 0.00 2.97 0.20 4.61 0.00 -0.00 -4.90 121.76 124.64 1vj6 s ALA 76 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 51.00 1vj6 s ALA 76 Cb 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 23.12 21.96 1vj6 s ALA 76 CO 0.00 0.59 0.00 0.25 0.00 0.00 0.00 175.76 176.60 1vj6 n THR 77 N 1.92 0.00 0.24 0.00 -2.24 -1.26 -0.13 114.28 112.81 1vj6 n THR 77 Ca -0.17 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.46 1vj6 n THR 77 Cb 0.53 -1.20 -0.08 0.00 -2.10 0.00 0.00 70.33 67.48 1vj6 n THR 77 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 1vj6 h HIS 78 N -0.08 -0.53 -0.37 4.78 2.76 -1.92 -1.63 115.15 118.17 1vj6 h HIS 78 Ca 0.00 -0.01 -0.09 0.00 -2.20 0.00 0.00 60.37 58.07 1vj6 h HIS 78 Cb 0.00 0.18 -0.01 0.00 1.55 0.00 0.00 27.41 29.13 1vj6 h HIS 78 CO 0.00 -0.28 -0.12 0.87 -1.30 0.00 0.00 177.93 177.10 1vj6 h LYS 79 N -0.68 0.73 -0.27 5.26 1.57 -1.98 -2.33 116.57 118.88 1vj6 h LYS 79 Ca -0.06 -0.30 -0.02 0.00 -1.87 0.00 0.00 60.65 58.41 1vj6 h LYS 79 Cb 0.50 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 1vj6 h LYS 79 CO 0.10 0.90 0.08 0.37 -0.57 0.00 0.00 179.45 180.33 1vj6 h GLN 80 N 0.52 0.41 -0.40 3.15 4.15 -1.93 -2.55 115.11 118.46 1vj6 h GLN 80 Ca 0.09 -0.09 -0.03 0.00 0.77 0.00 0.00 58.65 59.39 1vj6 h GLN 80 Cb 0.65 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.26 1vj6 h GLN 80 CO 0.04 0.48 0.11 0.00 -1.93 0.00 0.00 178.83 177.53 1vj6 h ALA 81 N 0.92 1.45 0.10 3.38 0.00 -1.32 -0.10 119.26 123.68 1vj6 h ALA 81 Ca 0.09 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.87 1vj6 h ALA 81 Cb 0.24 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1vj6 h ALA 81 CO -0.00 0.41 -0.22 0.28 0.00 0.00 0.00 179.25 179.71 1vj6 h VAL 82 N 0.58 0.50 -0.05 0.00 2.07 -1.29 -2.27 116.25 115.78 1vj6 h VAL 82 Ca 0.14 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.59 1vj6 h VAL 82 Cb 0.20 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 1vj6 h VAL 82 CO -0.01 0.00 -0.29 -0.33 0.02 0.00 0.00 177.57 176.96 1vj6 h GLU 83 N -0.41 0.09 0.00 1.57 5.08 -1.00 0.35 114.58 120.27 1vj6 h GLU 83 Ca 0.03 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1vj6 h GLU 83 Cb 0.44 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 1vj6 h GLU 83 CO -0.14 0.39 -0.01 1.15 -1.00 0.00 0.00 179.01 179.40 1vj6 h THR 84 N 0.09 0.90 0.05 1.13 2.02 -0.82 -1.06 112.91 115.21 1vj6 h THR 84 Ca 0.01 -0.05 -0.25 0.00 0.77 0.00 0.00 66.41 66.90 1vj6 h THR 84 Cb 0.57 1.03 -0.02 0.00 -1.74 0.00 0.00 68.15 67.98 1vj6 h THR 84 CO 0.04 0.01 -1.32 -0.07 0.37 0.00 0.00 175.52 174.56 1vj6 h LEU 85 N 0.00 0.15 0.00 2.58 3.38 -0.72 -3.45 115.31 117.26 1vj6 h LEU 85 Ca -0.00 -0.69 -0.22 0.00 0.09 0.00 0.00 57.88 57.06 1vj6 h LEU 85 Cb 0.03 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 1vj6 h LEU 85 CO 0.00 1.54 -1.40 0.08 0.09 0.00 0.00 178.44 178.75 1vj6 h ARG 86 N -0.67 0.00 -0.79 1.13 -0.00 -0.09 -3.33 114.38 110.63 1vj6 h ARG 86 Ca -0.33 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.65 1vj6 h ARG 86 Cb 1.50 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.47 1vj6 h ARG 86 CO -0.09 0.47 0.00 0.09 -0.00 0.00 0.00 179.97 180.44 1vj6 n ASN 87 N -3.03 2.52 -4.92 0.08 4.13 -0.42 -4.85 115.26 108.77 1vj6 n ASN 87 Ca -0.10 -2.29 -0.24 0.00 1.68 0.00 0.00 54.58 53.62 1vj6 n ASN 87 Cb 0.93 -0.53 0.06 0.00 -1.54 0.00 0.00 39.78 38.70 1vj6 n ASN 87 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1vj6 s THR 88 N -1.62 2.39 0.00 3.41 -4.23 -1.25 -5.06 115.64 109.28 1vj6 s THR 88 Ca 0.19 -0.41 0.00 0.00 -1.18 0.00 0.00 61.69 60.28 1vj6 s THR 88 Cb 0.14 -2.98 0.00 0.00 1.34 0.00 0.00 72.50 71.00 1vj6 s THR 88 CO 0.06 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.75 1vj6 n GLY 89 N -2.74 0.81 1.49 3.99 0.00 -1.26 -5.01 105.19 102.48 1vj6 n GLY 89 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1vj6 n GLY 89 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1vj6 n GLN 90 N 0.00 0.00 -2.36 1.61 -0.06 -1.26 -4.99 117.38 110.32 1vj6 n GLN 90 Ca 0.00 0.00 -0.41 0.00 -2.00 0.00 0.00 57.00 54.59 1vj6 n GLN 90 Cb 0.00 -0.26 -0.03 0.00 -4.06 0.00 0.00 30.24 25.88 1vj6 n GLN 90 CO 0.00 0.00 0.00 0.08 -0.20 0.00 0.00 177.06 176.94 1vj6 s VAL 91 N -2.00 3.42 -0.26 1.69 1.01 -1.26 -2.75 120.40 120.26 1vj6 s VAL 91 Ca 0.00 1.27 0.02 0.00 0.00 0.00 0.00 61.98 63.28 1vj6 s VAL 91 Cb 0.00 -3.81 0.06 0.00 0.00 0.00 0.00 36.38 32.63 1vj6 s VAL 91 CO 0.00 0.24 -0.09 -0.69 0.00 0.00 0.00 175.10 174.56 1vj6 s VAL 92 N -0.45 1.98 -0.62 2.92 1.01 0.63 -4.95 120.40 120.92 1vj6 s VAL 92 Ca 0.51 -1.54 -0.24 0.00 0.00 0.00 0.00 61.98 60.70 1vj6 s VAL 92 Cb -0.34 -2.15 0.05 0.00 0.00 0.00 0.00 36.38 33.94 1vj6 s VAL 92 CO 0.40 -0.07 1.02 -1.00 0.00 0.00 0.00 175.10 175.45 1vj6 s HIS 93 N 1.18 2.65 -0.25 5.22 3.76 -1.26 -2.13 115.29 124.47 1vj6 s HIS 93 Ca -0.07 -0.19 -0.22 0.00 -0.15 0.00 0.00 55.06 54.42 1vj6 s HIS 93 Cb -0.20 -4.28 -0.01 0.00 1.11 0.00 0.00 32.58 29.20 1vj6 s HIS 93 CO -0.06 -1.60 0.71 -0.51 -0.85 0.00 0.00 174.74 172.44 1vj6 s LEU 94 N 4.35 4.07 -0.70 0.89 1.43 0.18 -0.77 118.68 128.13 1vj6 s LEU 94 Ca 0.29 0.85 -0.20 0.00 -1.03 0.00 0.00 54.13 54.03 1vj6 s LEU 94 Cb -0.13 -3.00 0.10 0.00 0.03 0.00 0.00 46.19 43.19 1vj6 s LEU 94 CO 0.15 -0.43 0.91 -0.22 0.23 0.00 0.00 176.35 176.99 1vj6 s LEU 95 N 2.64 4.91 -0.01 1.79 0.20 0.62 -0.77 118.68 128.07 1vj6 s LEU 95 Ca 0.30 -1.39 -0.02 0.00 0.69 0.00 0.00 54.13 53.70 1vj6 s LEU 95 Cb -0.15 -2.37 -0.04 0.00 -0.43 0.00 0.00 46.19 43.20 1vj6 s LEU 95 CO 0.08 -1.24 0.15 -0.76 -0.29 0.00 0.00 176.35 174.29 1vj6 s LEU 96 N 3.23 4.22 0.04 -0.68 1.43 -0.66 -1.02 118.68 125.25 1vj6 s LEU 96 Ca 0.21 0.29 0.08 0.00 -1.03 0.00 0.00 54.13 53.68 1vj6 s LEU 96 Cb -0.17 -2.50 -0.03 0.00 0.03 0.00 0.00 46.19 43.53 1vj6 s LEU 96 CO 0.04 0.27 -0.23 -0.70 0.23 0.00 0.00 176.35 175.96 1vj6 s GLU 97 N -1.86 1.93 -0.03 1.70 2.12 0.95 -0.61 118.70 122.90 1vj6 s GLU 97 Ca 0.26 -1.05 -0.30 0.00 0.36 0.00 0.00 54.97 54.24 1vj6 s GLU 97 Cb -0.12 -2.06 -0.07 0.00 0.26 0.00 0.00 34.13 32.14 1vj6 s GLU 97 CO 0.17 0.53 1.75 0.21 -0.54 0.00 0.00 175.26 177.37 1vj6 s LYS 98 N -1.25 4.17 -1.08 4.30 2.47 -0.52 -1.56 119.74 126.27 1vj6 s LYS 98 Ca 0.12 2.31 -0.08 0.00 -1.56 0.00 0.00 55.97 56.77 1vj6 s LYS 98 Cb -0.10 -4.04 -0.08 0.00 -1.46 0.00 0.00 37.83 32.15 1vj6 s LYS 98 CO 0.03 -0.88 3.00 0.41 0.16 0.00 0.00 175.35 178.07 1vj6 n GLY 99 N 4.25 4.15 3.08 5.54 0.00 -1.26 -4.60 105.19 116.35 1vj6 n GLY 99 Ca 0.18 -1.57 -0.08 0.00 0.00 0.00 0.00 46.02 44.55 1vj6 n GLY 99 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1vj6 s GLN 100 N 0.90 0.58 0.43 1.61 -0.21 -1.26 -4.80 119.66 116.90 1vj6 s GLN 100 Ca 0.65 -1.13 0.06 0.00 0.02 0.00 0.00 55.36 54.97 1vj6 s GLN 100 Cb 0.23 0.17 -0.05 0.00 1.00 0.00 0.00 33.01 34.36 1vj6 s GLN 100 CO -0.07 -0.09 0.11 0.14 -2.12 0.00 0.00 175.29 173.26 1vj6 s VAL 101 N -3.51 2.03 -2.00 1.09 -7.23 -1.26 -4.54 120.40 104.98 1vj6 s VAL 101 Ca 0.04 -1.83 0.09 0.00 -1.81 0.00 0.00 61.98 58.46 1vj6 s VAL 101 Cb 0.05 -2.86 0.25 0.00 0.56 0.00 0.00 36.38 34.38 1vj6 s VAL 101 CO -0.08 0.00 0.97 -2.65 -0.31 0.00 0.00 175.10 173.03