#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 3.73 -0.27 2.12 1.02 -1.26 -4.96 119.74 120.12 1vj6 s LYS 9 Ca 0.00 0.14 -0.29 0.00 0.02 0.00 0.00 55.97 55.84 1vj6 s LYS 9 Cb 0.00 -2.69 -0.01 0.00 -0.52 0.00 0.00 37.83 34.61 1vj6 s LYS 9 CO 0.00 0.32 1.50 -1.25 -0.92 0.00 0.00 175.35 175.01 1vj6 s PRO 10 N -2.95 3.80 -0.43 -1.68 0.04 -1.26 -3.43 135.00 129.09 1vj6 s PRO 10 Ca 0.45 1.46 0.00 0.00 0.04 0.00 0.00 61.00 62.95 1vj6 s PRO 10 Cb -0.11 -3.99 0.00 0.00 0.04 0.00 0.00 34.50 30.44 1vj6 s PRO 10 CO 0.24 -1.28 0.00 0.41 0.04 0.00 0.00 177.00 176.41 1vj6 n GLY 11 N 4.61 0.25 3.74 0.56 0.00 -1.02 -4.97 105.19 108.36 1vj6 n GLY 11 Ca 0.17 -0.71 -0.40 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.80 7.13 0.01 1.61 2.15 -1.22 -4.64 116.67 118.92 1vj6 s ASP 12 Ca 0.00 1.36 -0.18 0.00 0.43 0.00 0.00 52.55 54.16 1vj6 s ASP 12 Cb 0.00 -2.44 -0.06 0.00 -0.30 0.00 0.00 42.92 40.12 1vj6 s ASP 12 CO 0.00 -0.00 0.50 0.42 -0.17 0.00 0.00 175.17 175.92 1vj6 s THR 13 N 0.11 4.92 -0.17 1.71 -4.23 -1.26 -1.08 115.64 115.64 1vj6 s THR 13 Ca 0.37 1.05 0.01 0.00 -1.18 0.00 0.00 61.69 61.94 1vj6 s THR 13 Cb -0.20 -3.82 0.02 0.00 1.34 0.00 0.00 72.50 69.84 1vj6 s THR 13 CO 0.21 0.52 -0.17 0.72 -0.54 0.00 0.00 174.62 175.36 1vj6 s PHE 14 N -0.78 2.50 -1.17 3.99 -0.71 0.24 -5.00 117.98 117.05 1vj6 s PHE 14 Ca 0.27 -1.45 -0.09 0.00 -1.04 0.00 0.00 56.93 54.62 1vj6 s PHE 14 Cb -0.18 -1.77 0.23 0.00 -1.21 0.00 0.00 43.02 40.09 1vj6 s PHE 14 CO 0.16 -0.75 1.50 0.39 -1.34 0.00 0.00 175.22 175.18 1vj6 n GLU 15 N 4.69 3.80 -1.96 1.99 1.02 -1.26 -1.71 120.64 127.22 1vj6 n GLU 15 Ca -0.19 -4.10 -0.34 0.00 -0.02 0.00 0.00 57.16 52.51 1vj6 n GLU 15 Cb 0.50 -2.75 0.03 0.00 -0.02 0.00 0.00 31.44 29.20 1vj6 n GLU 15 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1vj6 s VAL 16 N -0.66 3.24 -0.09 2.62 1.01 -0.49 -4.85 120.40 121.18 1vj6 s VAL 16 Ca 0.36 0.65 0.00 0.00 0.00 0.00 0.00 61.98 62.99 1vj6 s VAL 16 Cb 0.01 -3.18 0.02 0.00 0.00 0.00 0.00 36.38 33.23 1vj6 s VAL 16 CO 0.02 -0.29 -0.08 -1.83 0.00 0.00 0.00 175.10 172.92 1vj6 s GLU 17 N -3.79 1.42 0.44 2.72 -1.05 -1.26 -0.95 118.70 116.23 1vj6 s GLU 17 Ca 0.69 -0.24 0.04 0.00 -0.15 0.00 0.00 54.97 55.30 1vj6 s GLU 17 Cb -0.22 -1.43 -0.04 0.00 -0.44 0.00 0.00 34.13 32.01 1vj6 s GLU 17 CO 0.36 -0.19 0.03 -0.51 0.95 0.00 0.00 175.26 175.90 1vj6 s LEU 18 N 1.43 2.38 -0.04 1.83 1.43 -0.05 -4.96 118.68 120.71 1vj6 s LEU 18 Ca -0.01 -1.54 0.05 0.00 -1.03 0.00 0.00 54.13 51.60 1vj6 s LEU 18 Cb -0.13 -0.62 -0.01 0.00 0.03 0.00 0.00 46.19 45.46 1vj6 s LEU 18 CO -0.05 -0.72 -0.19 0.00 0.23 0.00 0.00 176.35 175.62 1vj6 s ALA 19 N -2.95 1.68 0.14 4.21 0.00 -1.26 -0.80 121.76 122.78 1vj6 s ALA 19 Ca 0.21 -0.81 -0.31 0.00 0.00 0.00 0.00 51.96 51.05 1vj6 s ALA 19 Cb 0.05 -0.51 -0.09 0.00 0.00 0.00 0.00 23.12 22.57 1vj6 s ALA 19 CO 0.11 0.34 1.47 -1.59 0.00 0.00 0.00 175.76 176.09 1vj6 s LYS 20 N -0.17 4.27 -0.57 0.00 -2.85 -1.23 -4.79 119.74 114.40 1vj6 s LYS 20 Ca 0.00 2.21 -0.19 0.00 -1.00 0.00 0.00 55.97 56.99 1vj6 s LYS 20 Cb -0.11 -3.20 0.09 0.00 -2.06 0.00 0.00 37.83 32.56 1vj6 s LYS 20 CO 0.01 -0.51 0.67 -0.08 0.10 0.00 0.00 175.35 175.55 1vj6 s THR 21 N 1.06 4.86 -0.95 3.79 -1.32 -0.32 -4.29 115.64 118.47 1vj6 s THR 21 Ca 0.67 -0.89 -0.10 0.00 -1.21 0.00 0.00 61.69 60.16 1vj6 s THR 21 Cb -0.40 -4.43 -0.01 0.00 -1.51 0.00 0.00 72.50 66.15 1vj6 s THR 21 CO 0.31 -1.03 0.74 -0.67 -2.21 0.00 0.00 174.62 171.76 1vj6 n ASP 22 N 6.23 -6.02 -3.56 8.08 2.03 -1.26 -3.65 116.55 118.40 1vj6 n ASP 22 Ca -0.09 -0.72 -0.19 0.00 0.52 0.00 0.00 54.79 54.31 1vj6 n ASP 22 Cb 0.43 -3.68 0.06 0.00 -0.72 0.00 0.00 41.12 37.22 1vj6 n ASP 22 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1vj6 n GLY 23 N -1.67 -0.34 3.12 0.27 0.00 -1.26 -4.96 105.19 100.35 1vj6 n GLY 23 Ca -0.11 0.12 0.05 0.00 0.00 0.00 0.00 46.02 46.07 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 -4.31 -0.59 0.17 1.61 0.15 -1.24 -4.97 113.70 104.51 1vj6 s SER 24 Ca 0.03 0.03 -0.12 0.00 0.70 0.00 0.00 55.95 56.60 1vj6 s SER 24 Cb -0.02 1.31 0.06 0.00 -1.71 0.00 0.00 66.02 65.66 1vj6 s SER 24 CO 0.77 -0.10 1.68 -0.07 1.20 0.00 0.00 173.24 176.71 1vj6 h LEU 25 N 7.20 0.87 0.00 3.45 3.38 -1.88 -0.84 115.31 127.49 1vj6 h LEU 25 Ca -0.07 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1vj6 h LEU 25 Cb 1.18 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.70 1vj6 h LEU 25 CO -0.06 0.88 0.00 0.61 0.09 0.00 0.00 178.44 179.96 1vj6 n GLY 26 N -0.63 0.78 3.21 0.83 0.00 -1.26 0.13 105.19 108.26 1vj6 n GLY 26 Ca 0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.17 1.70 -0.24 -0.61 -4.36 -1.26 -1.72 121.20 113.54 1vj6 s ILE 27 Ca 0.00 -0.89 -0.25 0.00 -0.26 0.00 0.00 60.65 59.25 1vj6 s ILE 27 Cb 0.00 -1.44 -0.00 0.00 1.25 0.00 0.00 42.46 42.27 1vj6 s ILE 27 CO 0.00 0.48 0.84 -0.44 0.24 0.00 0.00 174.94 176.06 1vj6 s SER 28 N -0.21 6.85 -0.10 4.36 0.01 -0.43 -4.99 113.70 119.19 1vj6 s SER 28 Ca 0.00 1.05 -0.20 0.00 1.31 0.00 0.00 55.95 58.12 1vj6 s SER 28 Cb -0.11 -2.44 -0.04 0.00 0.21 0.00 0.00 66.02 63.64 1vj6 s SER 28 CO 0.02 -0.52 0.56 0.68 0.41 0.00 0.00 173.24 174.38 1vj6 s VAL 29 N 2.86 5.14 0.28 3.43 -7.23 -1.26 -0.25 120.40 123.36 1vj6 s VAL 29 Ca 0.35 1.12 0.06 0.00 -1.81 0.00 0.00 61.98 61.71 1vj6 s VAL 29 Cb -0.15 -3.89 -0.06 0.00 0.56 0.00 0.00 36.38 32.84 1vj6 s VAL 29 CO 0.07 0.30 -0.04 0.28 -0.31 0.00 0.00 175.10 175.40 1vj6 s THR 30 N 0.72 1.53 0.00 5.32 -1.32 -0.16 -4.84 115.64 116.88 1vj6 s THR 30 Ca 0.30 -2.10 0.00 0.00 -1.21 0.00 0.00 61.69 58.68 1vj6 s THR 30 Cb -0.16 -2.47 0.00 0.00 -1.51 0.00 0.00 72.50 68.36 1vj6 s THR 30 CO 0.13 -0.28 0.00 0.61 -2.21 0.00 0.00 174.62 172.87 1vj6 n GLY 31 N -0.57 0.79 0.00 6.08 0.00 -1.26 -0.85 105.19 109.38 1vj6 n GLY 31 Ca -0.05 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.77 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 2.45 0.34 -0.02 0.00 -1.20 -4.44 105.19 102.32 1vj6 n GLY 32 Ca 0.00 -1.89 0.22 0.00 0.00 0.00 0.00 46.02 44.35 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 0.03 -0.26 1.61 3.04 -0.79 -3.20 116.25 116.68 1vj6 h VAL 33 Ca 0.00 -0.02 0.05 0.00 -1.01 0.00 0.00 66.70 65.72 1vj6 h VAL 33 Cb 0.00 1.02 -0.05 0.00 -2.01 0.00 0.00 31.29 30.26 1vj6 h VAL 33 CO 0.00 0.00 -0.03 -1.13 -1.01 0.00 0.00 177.57 175.40 1vj6 h ASN 34 N 0.00 -0.17 -4.95 3.17 -1.24 -1.86 -3.46 115.58 107.07 1vj6 h ASN 34 Ca -0.00 0.07 0.12 0.00 0.71 0.00 0.00 56.30 57.20 1vj6 h ASN 34 Cb 0.02 0.13 -0.12 0.00 0.73 0.00 0.00 38.32 39.09 1vj6 h ASN 34 CO 0.00 -0.05 0.46 0.28 -1.29 0.00 0.00 177.43 176.82 1vj6 s THR 35 N -6.20 0.00 0.00 -3.57 -1.32 -1.21 -5.03 115.64 98.31 1vj6 s THR 35 Ca -0.13 -0.29 0.00 0.00 -1.21 0.00 0.00 61.69 60.05 1vj6 s THR 35 Cb 0.11 -1.42 0.00 0.00 -1.51 0.00 0.00 72.50 69.68 1vj6 s THR 35 CO 0.69 0.00 0.00 -1.54 -2.21 0.00 0.00 174.62 171.56 1vj6 n SER 36 N -0.35 0.00 -2.11 8.08 3.41 -1.26 -4.44 113.62 116.94 1vj6 n SER 36 Ca -0.08 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.52 1vj6 n SER 36 Cb 0.62 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.57 1vj6 n SER 36 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1vj6 n VAL 37 N -1.80 0.00 0.04 -3.33 0.24 -1.26 -5.04 118.33 107.18 1vj6 n VAL 37 Ca 0.00 -0.07 -0.03 0.00 -2.04 0.00 0.00 64.34 62.20 1vj6 n VAL 37 Cb 0.00 -1.35 -0.01 0.00 -1.47 0.00 0.00 33.84 31.00 1vj6 n VAL 37 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 1vj6 h ARG 38 N 0.00 -0.17 0.00 7.34 2.43 -1.95 -3.47 114.38 118.56 1vj6 h ARG 38 Ca -0.01 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1vj6 h ARG 38 Cb 0.05 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 1vj6 h ARG 38 CO 0.02 -0.12 0.00 -2.39 -1.51 0.00 0.00 179.97 175.97 1vj6 n HIS 39 N -4.19 0.00 0.00 2.20 1.44 -1.26 -5.13 115.22 108.27 1vj6 n HIS 39 Ca -0.02 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.69 1vj6 n HIS 39 Cb 0.07 0.08 0.00 0.00 0.12 0.00 0.00 29.99 30.26 1vj6 n HIS 39 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1vj6 n GLY 40 N 0.00 0.06 0.00 -1.39 0.00 -1.26 -4.74 105.19 97.86 1vj6 n GLY 40 Ca 0.00 0.72 0.00 0.00 0.00 0.00 0.00 46.02 46.74 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 0.00 1.60 3.50 -0.02 0.00 -1.22 -4.85 105.19 104.20 1vj6 n GLY 41 Ca 0.00 -1.12 -0.29 0.00 0.00 0.00 0.00 46.02 44.61 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 -2.00 2.90 0.12 -0.61 1.10 -0.96 -3.21 121.20 118.55 1vj6 s ILE 42 Ca 0.00 -1.55 0.07 0.00 -0.51 0.00 0.00 60.65 58.65 1vj6 s ILE 42 Cb 0.00 -2.36 -0.04 0.00 0.15 0.00 0.00 42.46 40.22 1vj6 s ILE 42 CO 0.00 0.05 -0.16 -0.31 -2.11 0.00 0.00 174.94 172.41 1vj6 s TYR 43 N -1.28 1.51 -0.09 3.50 1.51 -0.03 -0.49 117.35 121.98 1vj6 s TYR 43 Ca 0.20 -0.51 -0.27 0.00 -1.01 0.00 0.00 57.07 55.47 1vj6 s TYR 43 Cb -0.10 -0.79 -0.02 0.00 -0.11 0.00 0.00 41.96 40.93 1vj6 s TYR 43 CO 0.11 0.18 0.88 0.08 -1.11 0.00 0.00 175.55 175.69 1vj6 s VAL 44 N -1.91 4.89 -0.15 0.71 1.01 -0.23 -0.99 120.40 123.73 1vj6 s VAL 44 Ca 0.09 1.80 -0.16 0.00 0.00 0.00 0.00 61.98 63.71 1vj6 s VAL 44 Cb -0.06 -4.21 -0.13 0.00 0.00 0.00 0.00 36.38 31.98 1vj6 s VAL 44 CO 0.04 0.10 0.25 0.50 0.00 0.00 0.00 175.10 175.99 1vj6 h LYS 45 N 7.02 0.00 -3.64 2.72 3.11 -0.95 -0.69 116.57 124.14 1vj6 h LYS 45 Ca -0.35 0.00 -0.24 0.00 -2.81 0.00 0.00 60.65 57.25 1vj6 h LYS 45 Cb 1.17 0.00 -0.29 0.00 -1.00 0.00 0.00 32.23 32.11 1vj6 h LYS 45 CO 0.80 0.55 -0.70 0.00 -2.81 0.00 0.00 179.45 177.29 1vj6 s ALA 46 N -2.44 -0.03 0.14 5.00 0.00 -1.21 -4.60 121.76 118.62 1vj6 s ALA 46 Ca -0.16 0.12 -0.14 0.00 0.00 0.00 0.00 51.96 51.79 1vj6 s ALA 46 Cb 0.01 -0.09 -0.07 0.00 0.00 0.00 0.00 23.12 22.97 1vj6 s ALA 46 CO 0.40 -0.03 0.54 0.42 0.00 0.00 0.00 175.76 177.08 1vj6 s ILE 47 N 0.25 4.88 -0.31 0.00 -1.09 -1.26 -1.31 121.20 122.36 1vj6 s ILE 47 Ca -0.02 0.79 -0.23 0.00 -2.23 0.00 0.00 60.65 58.96 1vj6 s ILE 47 Cb -0.03 -3.73 -0.00 0.00 -1.58 0.00 0.00 42.46 37.12 1vj6 s ILE 47 CO -0.01 0.25 0.76 -0.63 -1.23 0.00 0.00 174.94 174.08 1vj6 s ILE 48 N -1.46 4.81 -1.52 2.92 1.01 -0.70 -4.97 121.20 121.29 1vj6 s ILE 48 Ca 0.37 1.13 -0.12 0.00 0.00 0.00 0.00 60.65 62.03 1vj6 s ILE 48 Cb -0.15 -4.13 -0.01 0.00 0.01 0.00 0.00 42.46 38.19 1vj6 s ILE 48 CO 0.19 -0.24 2.52 -0.81 0.00 0.00 0.00 174.94 176.60 1vj6 n PRO 49 N 6.16 3.23 0.00 2.79 -0.04 -1.26 -2.83 135.00 143.05 1vj6 n PRO 49 Ca 0.03 -2.47 0.00 0.00 -0.04 0.00 0.00 63.50 61.02 1vj6 n PRO 49 Cb 0.48 -3.08 0.00 0.00 -0.04 0.00 0.00 33.50 30.86 1vj6 n PRO 49 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1vj6 n LYS 50 N 5.01 0.00 0.00 0.54 2.85 -1.26 -5.14 118.16 120.16 1vj6 n LYS 50 Ca 0.63 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.89 1vj6 n LYS 50 Cb 0.32 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.70 1vj6 n LYS 50 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1vj6 n GLY 51 N 0.00 0.99 0.00 2.58 0.00 -1.13 -5.07 105.19 102.57 1vj6 n GLY 51 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.00 1.66 -0.04 4.61 0.00 0.12 -4.72 120.51 119.15 1vj6 n ALA 52 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 1vj6 n ALA 52 Cb 0.00 0.17 -0.08 0.00 0.00 0.00 0.00 19.45 19.54 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 0.15 -0.71 0.00 0.00 -0.88 -2.75 119.26 115.07 1vj6 h ALA 53 Ca 0.00 -0.35 0.16 0.00 0.00 0.00 0.00 54.91 54.72 1vj6 h ALA 53 Cb 0.62 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 1vj6 h ALA 53 CO 0.00 0.06 0.48 1.49 0.00 0.00 0.00 179.25 181.29 1vj6 h GLU 54 N -0.17 0.27 -0.01 0.00 4.57 -1.82 -1.92 114.58 115.50 1vj6 h GLU 54 Ca 0.00 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1vj6 h GLU 54 Cb 0.75 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 29.28 1vj6 h GLU 54 CO 0.04 0.18 0.04 0.66 -1.18 0.00 0.00 179.01 178.75 1vj6 h SER 55 N 0.28 0.00 0.00 1.04 4.64 -1.77 -2.97 113.55 114.77 1vj6 h SER 55 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 1vj6 h SER 55 Cb 0.96 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 1vj6 h SER 55 CO -0.08 0.00 0.00 -0.67 -0.87 0.00 0.00 176.83 175.21 1vj6 n ASP 56 N -3.20 0.00 0.00 4.97 2.03 -0.72 -5.01 116.55 114.62 1vj6 n ASP 56 Ca -0.03 0.48 0.00 0.00 0.52 0.00 0.00 54.79 55.76 1vj6 n ASP 56 Cb 0.11 -0.03 0.00 0.00 -0.72 0.00 0.00 41.12 40.48 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 -0.21 1.76 0.11 0.27 0.00 -1.12 -4.95 105.19 101.05 1vj6 n GLY 57 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 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 0.01 -6.86 1.61 -0.00 -1.90 -3.45 114.38 103.79 1vj6 h ARG 58 Ca 0.00 -0.01 -0.51 0.00 -0.50 0.00 0.00 59.98 58.96 1vj6 h ARG 58 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 29.97 30.01 1vj6 h ARG 58 CO 0.00 0.77 0.54 0.96 0.00 0.00 0.00 179.97 182.24 1vj6 s ILE 59 N -3.29 3.13 0.00 2.04 -4.36 -1.26 -4.88 121.20 112.59 1vj6 s ILE 59 Ca -0.01 1.10 0.00 0.00 -0.26 0.00 0.00 60.65 61.49 1vj6 s ILE 59 Cb 0.12 -3.69 0.00 0.00 1.25 0.00 0.00 42.46 40.14 1vj6 s ILE 59 CO 0.79 0.24 0.00 1.41 0.24 0.00 0.00 174.94 177.61 1vj6 n HIS 60 N 0.83 0.00 -2.39 1.37 8.25 -1.26 -4.94 115.22 117.07 1vj6 n HIS 60 Ca 0.00 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.12 1vj6 n HIS 60 Cb 0.44 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.53 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 -0.22 3.60 0.00 -0.41 1.02 -1.26 -3.93 119.74 118.53 1vj6 s LYS 61 Ca 0.00 1.41 0.00 0.00 0.02 0.00 0.00 55.97 57.40 1vj6 s LYS 61 Cb 0.00 -2.06 0.00 0.00 -0.52 0.00 0.00 37.83 35.25 1vj6 s LYS 61 CO 0.00 -0.60 0.00 0.41 -0.92 0.00 0.00 175.35 174.24 1vj6 n GLY 62 N -0.25 1.32 3.79 -3.33 0.00 -0.27 -4.97 105.19 101.49 1vj6 n GLY 62 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.76 6.36 -0.36 1.61 1.01 -1.25 -4.58 116.67 116.70 1vj6 s ASP 63 Ca 0.00 2.01 -0.11 0.00 0.71 0.00 0.00 52.55 55.15 1vj6 s ASP 63 Cb 0.00 -2.57 0.01 0.00 1.01 0.00 0.00 42.92 41.37 1vj6 s ASP 63 CO 0.00 -0.77 0.20 -0.60 0.21 0.00 0.00 175.17 174.21 1vj6 s ARG 64 N -3.04 3.06 -0.33 8.23 3.00 -0.42 -1.07 118.95 128.39 1vj6 s ARG 64 Ca 0.66 -0.92 -0.25 0.00 -1.00 0.00 0.00 55.73 54.21 1vj6 s ARG 64 Cb -0.19 -3.72 0.01 0.00 0.00 0.00 0.00 34.95 31.05 1vj6 s ARG 64 CO 0.23 -0.59 0.89 0.54 0.00 0.00 0.00 175.30 176.37 1vj6 s VAL 65 N 1.60 4.67 -0.13 7.11 0.11 0.35 0.09 120.40 134.21 1vj6 s VAL 65 Ca 0.04 1.29 0.00 0.00 -2.93 0.00 0.00 61.98 60.38 1vj6 s VAL 65 Cb -0.18 -4.26 -0.24 0.00 -1.53 0.00 0.00 36.38 30.16 1vj6 s VAL 65 CO 0.07 -0.39 0.33 0.00 -3.33 0.00 0.00 175.10 171.78 1vj6 n LEU 66 N 6.52 2.14 -3.93 2.54 -0.00 0.00 -2.25 117.00 122.02 1vj6 n LEU 66 Ca 0.06 0.19 -0.09 0.00 -0.00 0.00 0.00 56.01 56.17 1vj6 n LEU 66 Cb 0.48 -0.71 -0.06 0.00 -0.00 0.00 0.00 43.42 43.13 1vj6 n LEU 66 CO 0.55 0.74 0.12 0.00 -0.00 0.00 0.00 177.39 178.79 1vj6 s ALA 67 N -2.56 -0.26 -0.07 1.47 0.00 -1.04 -0.43 121.76 118.88 1vj6 s ALA 67 Ca -0.19 -0.76 -0.03 0.00 0.00 0.00 0.00 51.96 50.97 1vj6 s ALA 67 Cb 0.07 0.96 0.04 0.00 0.00 0.00 0.00 23.12 24.19 1vj6 s ALA 67 CO 0.76 -0.76 0.14 0.54 0.00 0.00 0.00 175.76 176.44 1vj6 s VAL 68 N -3.97 -0.07 -1.26 0.00 0.11 -0.12 -0.74 120.40 114.34 1vj6 s VAL 68 Ca 0.18 0.20 0.00 0.00 -2.93 0.00 0.00 61.98 59.43 1vj6 s VAL 68 Cb 0.01 -0.24 0.00 0.00 -1.53 0.00 0.00 36.38 34.62 1vj6 s VAL 68 CO 0.03 0.08 0.00 0.59 -3.33 0.00 0.00 175.10 172.48 1vj6 n ASN 69 N 4.33 -3.52 0.00 3.54 3.02 -0.57 0.13 115.26 122.19 1vj6 n ASN 69 Ca -0.24 0.29 0.00 0.00 -0.03 0.00 0.00 54.58 54.60 1vj6 n ASN 69 Cb 0.51 -3.17 0.00 0.00 -0.61 0.00 0.00 39.78 36.51 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 -0.16 0.77 3.21 7.41 0.00 -1.26 -5.02 105.19 110.14 1vj6 n GLY 70 Ca -0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.27 4.03 0.44 1.61 1.01 0.12 -5.07 120.40 120.27 1vj6 s VAL 71 Ca 0.00 -1.70 -0.24 0.00 0.00 0.00 0.00 61.98 60.04 1vj6 s VAL 71 Cb 0.00 -3.61 -0.08 0.00 0.00 0.00 0.00 36.38 32.70 1vj6 s VAL 71 CO 0.00 -0.66 1.20 -0.44 0.00 0.00 0.00 175.10 175.20 1vj6 s SER 72 N 2.33 6.25 -0.08 3.32 0.01 -1.26 -0.95 113.70 123.31 1vj6 s SER 72 Ca 0.05 2.41 -0.02 0.00 1.31 0.00 0.00 55.95 59.69 1vj6 s SER 72 Cb -0.24 -2.61 -0.05 0.00 0.21 0.00 0.00 66.02 63.32 1vj6 s SER 72 CO -0.00 -0.87 2.57 0.18 0.41 0.00 0.00 173.24 175.52 1vj6 n LEU 73 N -0.24 5.56 -4.63 2.44 4.77 0.43 -4.91 117.00 120.42 1vj6 n LEU 73 Ca 0.06 -2.90 -0.42 0.00 -0.03 0.00 0.00 56.01 52.71 1vj6 n LEU 73 Cb 0.47 -1.22 -0.04 0.00 -2.33 0.00 0.00 43.42 40.30 1vj6 n LEU 73 CO 0.50 1.31 0.76 -1.61 -1.33 0.00 0.00 177.39 177.02 1vj6 s GLU 74 N -0.08 4.04 0.00 3.23 2.02 -1.26 -2.42 118.70 124.24 1vj6 s GLU 74 Ca 0.30 0.85 0.00 0.00 0.02 0.00 0.00 54.97 56.14 1vj6 s GLU 74 Cb 0.16 -3.72 0.00 0.00 0.10 0.00 0.00 34.13 30.67 1vj6 s GLU 74 CO -0.02 -0.74 0.00 0.41 0.02 0.00 0.00 175.26 174.93 1vj6 n GLY 75 N 3.97 0.71 3.74 -1.39 0.00 -1.26 -5.04 105.19 105.92 1vj6 n GLY 75 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.56 3.39 0.14 4.61 0.00 -1.01 -4.81 121.76 121.52 1vj6 s ALA 76 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.17 1vj6 s ALA 76 Cb 0.00 -2.94 0.00 0.00 0.00 0.00 0.00 23.12 20.18 1vj6 s ALA 76 CO 0.00 0.06 0.00 0.25 0.00 0.00 0.00 175.76 176.07 1vj6 n THR 77 N 2.94 0.00 0.26 0.00 -2.24 -1.26 -0.23 114.28 113.75 1vj6 n THR 77 Ca -0.03 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.60 1vj6 n THR 77 Cb 0.51 -1.14 -0.08 0.00 -2.10 0.00 0.00 70.33 67.51 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 -0.00 -0.61 -0.61 4.78 2.76 -1.93 -0.92 115.15 118.61 1vj6 h HIS 78 Ca 0.00 -0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.08 1vj6 h HIS 78 Cb 0.00 0.20 -0.03 0.00 1.55 0.00 0.00 27.41 29.14 1vj6 h HIS 78 CO 0.00 -0.31 0.08 0.87 -1.30 0.00 0.00 177.93 177.28 1vj6 h LYS 79 N -0.85 0.99 -0.23 5.26 1.57 -1.97 -0.95 116.57 120.38 1vj6 h LYS 79 Ca -0.07 -0.26 -0.16 0.00 -1.87 0.00 0.00 60.65 58.29 1vj6 h LYS 79 Cb 0.58 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 1vj6 h LYS 79 CO 0.11 0.93 -0.51 0.37 -0.57 0.00 0.00 179.45 179.77 1vj6 h GLN 80 N 0.93 0.66 -0.26 3.15 -0.00 -1.93 -2.71 115.11 114.96 1vj6 h GLN 80 Ca 0.19 -0.40 -0.06 0.00 -0.00 0.00 0.00 58.65 58.38 1vj6 h GLN 80 Cb 0.43 0.04 -0.01 0.00 0.00 0.00 0.00 27.48 27.93 1vj6 h GLN 80 CO 0.01 1.02 -0.10 0.00 0.00 0.00 0.00 178.83 179.76 1vj6 h ALA 81 N 0.91 1.36 0.56 3.38 0.00 -0.93 -2.49 119.26 122.05 1vj6 h ALA 81 Ca 0.02 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1vj6 h ALA 81 Cb 1.07 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 1vj6 h ALA 81 CO 0.10 0.44 -0.32 0.28 0.00 0.00 0.00 179.25 179.75 1vj6 h VAL 82 N 0.39 0.34 -0.81 0.00 2.07 -1.08 -2.50 116.25 114.66 1vj6 h VAL 82 Ca 0.08 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.74 1vj6 h VAL 82 Cb 0.41 0.34 -0.09 0.00 -1.52 0.00 0.00 31.29 30.43 1vj6 h VAL 82 CO 0.02 0.00 0.39 -0.33 0.02 0.00 0.00 177.57 177.67 1vj6 h GLU 83 N -0.83 0.54 -0.55 1.57 5.08 -1.33 0.43 114.58 119.49 1vj6 h GLU 83 Ca -0.07 -0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.32 1vj6 h GLU 83 Cb 0.66 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.74 1vj6 h GLU 83 CO 0.09 0.36 0.26 1.15 -1.00 0.00 0.00 179.01 179.86 1vj6 h THR 84 N 0.55 0.90 0.03 1.13 2.02 -1.36 -1.00 112.91 115.18 1vj6 h THR 84 Ca 0.44 -0.17 -0.32 0.00 0.77 0.00 0.00 66.41 67.13 1vj6 h THR 84 Cb 0.64 0.37 -0.05 0.00 -1.74 0.00 0.00 68.15 67.37 1vj6 h THR 84 CO -0.38 0.09 -1.89 0.18 0.37 0.00 0.00 175.52 173.90 1vj6 n LEU 85 N -4.91 1.19 -0.07 2.58 4.77 -0.93 -4.57 117.00 115.07 1vj6 n LEU 85 Ca 0.06 0.30 -0.14 0.00 -0.03 0.00 0.00 56.01 56.20 1vj6 n LEU 85 Cb 0.18 -0.09 -0.13 0.00 -2.33 0.00 0.00 43.42 41.06 1vj6 n LEU 85 CO 0.27 0.52 0.40 -0.09 -1.33 0.00 0.00 177.39 177.16 1vj6 h ARG 86 N 0.01 -0.00 -2.12 3.23 1.12 -0.18 -3.37 114.38 113.07 1vj6 h ARG 86 Ca -0.36 0.00 -0.59 0.00 -1.11 0.00 0.00 59.98 57.92 1vj6 h ARG 86 Cb 2.05 0.00 -0.18 0.00 -0.01 0.00 0.00 29.97 31.82 1vj6 h ARG 86 CO 0.07 0.96 0.87 -1.71 -3.11 0.00 0.00 179.97 177.04 1vj6 n ASN 87 N -4.63 6.93 -1.37 -3.80 5.15 -0.38 -4.87 115.26 112.29 1vj6 n ASN 87 Ca -0.10 -3.30 0.00 0.00 -0.60 0.00 0.00 54.58 50.59 1vj6 n ASN 87 Cb 0.46 -1.23 0.00 0.00 -0.53 0.00 0.00 39.78 38.48 1vj6 n ASN 87 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1vj6 n THR 88 N 0.81 0.00 0.00 -0.44 -2.24 -1.26 -4.95 114.28 106.19 1vj6 n THR 88 Ca 0.52 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.30 1vj6 n THR 88 Cb 0.44 -1.25 0.00 0.00 -2.10 0.00 0.00 70.33 67.43 1vj6 n THR 88 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1vj6 n GLY 89 N 5.00 -0.41 2.13 3.38 0.00 -1.26 -5.07 105.19 108.95 1vj6 n GLY 89 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.93 0.00 -2.30 1.61 7.27 -1.26 -5.06 117.38 115.71 1vj6 n GLN 90 Ca 0.00 0.00 -0.42 0.00 0.07 0.00 0.00 57.00 56.65 1vj6 n GLN 90 Cb 0.00 0.00 -0.03 0.00 2.41 0.00 0.00 30.24 32.62 1vj6 n GLN 90 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 1vj6 s VAL 91 N -1.98 3.90 -0.34 1.69 1.01 -1.26 -3.54 120.40 119.88 1vj6 s VAL 91 Ca 0.00 1.26 0.01 0.00 0.00 0.00 0.00 61.98 63.25 1vj6 s VAL 91 Cb 0.00 -3.81 0.09 0.00 0.00 0.00 0.00 36.38 32.65 1vj6 s VAL 91 CO 0.00 -0.01 0.06 -0.69 0.00 0.00 0.00 175.10 174.46 1vj6 s VAL 92 N 2.37 2.69 -0.39 2.92 1.01 0.02 -4.93 120.40 124.09 1vj6 s VAL 92 Ca 0.61 -1.96 -0.29 0.00 0.00 0.00 0.00 61.98 60.34 1vj6 s VAL 92 Cb -0.29 -2.79 0.00 0.00 0.00 0.00 0.00 36.38 33.30 1vj6 s VAL 92 CO 0.25 -0.44 1.47 -1.00 0.00 0.00 0.00 175.10 175.38 1vj6 s HIS 93 N 1.07 2.31 -0.43 5.22 3.76 -1.26 -0.87 115.29 125.09 1vj6 s HIS 93 Ca 0.04 0.67 -0.21 0.00 -0.15 0.00 0.00 55.06 55.41 1vj6 s HIS 93 Cb -0.20 -4.26 0.02 0.00 1.11 0.00 0.00 32.58 29.25 1vj6 s HIS 93 CO -0.05 -2.14 0.64 -0.51 -0.85 0.00 0.00 174.74 171.83 1vj6 s LEU 94 N 5.60 4.47 -0.78 0.89 1.43 -0.12 -1.51 118.68 128.66 1vj6 s LEU 94 Ca 0.64 -0.28 -0.21 0.00 -1.03 0.00 0.00 54.13 53.25 1vj6 s LEU 94 Cb -0.15 -2.73 0.10 0.00 0.03 0.00 0.00 46.19 43.43 1vj6 s LEU 94 CO 0.32 -0.75 1.04 -0.22 0.23 0.00 0.00 176.35 176.97 1vj6 s LEU 95 N 2.79 4.68 -0.10 1.79 0.20 0.08 -1.39 118.68 126.72 1vj6 s LEU 95 Ca 0.23 -1.47 -0.04 0.00 0.69 0.00 0.00 54.13 53.54 1vj6 s LEU 95 Cb -0.14 -2.41 -0.04 0.00 -0.43 0.00 0.00 46.19 43.17 1vj6 s LEU 95 CO 0.18 -1.27 0.04 -0.76 -0.29 0.00 0.00 176.35 174.25 1vj6 s LEU 96 N 3.46 3.78 -0.10 -0.68 1.43 -0.69 -0.82 118.68 125.05 1vj6 s LEU 96 Ca 0.27 0.21 -0.02 0.00 -1.03 0.00 0.00 54.13 53.56 1vj6 s LEU 96 Cb -0.11 -1.89 -0.03 0.00 0.03 0.00 0.00 46.19 44.19 1vj6 s LEU 96 CO 0.01 0.36 -0.02 -0.70 0.23 0.00 0.00 176.35 176.24 1vj6 s GLU 97 N -0.78 3.16 -0.08 1.70 2.12 0.11 -0.59 118.70 124.33 1vj6 s GLU 97 Ca 0.12 -0.46 -0.30 0.00 0.36 0.00 0.00 54.97 54.70 1vj6 s GLU 97 Cb -0.12 -2.81 -0.02 0.00 0.26 0.00 0.00 34.13 31.45 1vj6 s GLU 97 CO 0.03 0.56 1.01 0.21 -0.54 0.00 0.00 175.26 176.53 1vj6 s LYS 98 N -0.50 4.44 -1.05 4.30 2.47 -0.24 -1.30 119.74 127.86 1vj6 s LYS 98 Ca 0.08 1.41 -0.07 0.00 -1.56 0.00 0.00 55.97 55.84 1vj6 s LYS 98 Cb -0.12 -3.53 -0.03 0.00 -1.46 0.00 0.00 37.83 32.69 1vj6 s LYS 98 CO 0.02 -0.28 2.87 0.41 0.16 0.00 0.00 175.35 178.53 1vj6 n GLY 99 N 3.07 4.35 3.64 5.54 0.00 -1.26 -2.42 105.19 118.11 1vj6 n GLY 99 Ca 0.08 -1.69 -0.29 0.00 0.00 0.00 0.00 46.02 44.13 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 0.26 2.34 0.02 1.61 -1.52 -1.26 -4.93 119.66 116.17 1vj6 s GLN 100 Ca 0.63 -0.98 0.04 0.00 -1.95 0.00 0.00 55.36 53.10 1vj6 s GLN 100 Cb 0.24 -2.40 -0.03 0.00 -0.22 0.00 0.00 33.01 30.60 1vj6 s GLN 100 CO -0.09 0.51 -0.09 0.08 -0.25 0.00 0.00 175.29 175.45 1vj6 s VAL 101 N -1.38 3.48 -2.00 1.09 1.01 -1.26 -3.82 120.40 117.52 1vj6 s VAL 101 Ca 0.24 -0.90 0.11 0.00 0.00 0.00 0.00 61.98 61.44 1vj6 s VAL 101 Cb -0.11 -2.52 0.31 0.00 0.00 0.00 0.00 36.38 34.06 1vj6 s VAL 101 CO 0.17 0.35 1.09 -2.65 0.00 0.00 0.00 175.10 174.05