#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 3.57 0.05 3.17 1.02 -1.26 -5.07 119.74 121.22 1vj6 s LYS 9 Ca 0.00 -0.53 -0.30 0.00 0.02 0.00 0.00 55.97 55.15 1vj6 s LYS 9 Cb 0.00 -3.31 -0.08 0.00 -0.52 0.00 0.00 37.83 33.93 1vj6 s LYS 9 CO 0.00 -0.22 1.67 -2.14 -0.92 0.00 0.00 175.35 173.74 1vj6 s PRO 10 N 1.59 4.19 0.00 -1.68 0.02 -1.26 -3.13 135.00 134.73 1vj6 s PRO 10 Ca 0.06 2.33 0.00 0.00 0.02 0.00 0.00 61.00 63.41 1vj6 s PRO 10 Cb -0.15 -3.68 0.00 0.00 0.02 0.00 0.00 34.50 30.69 1vj6 s PRO 10 CO 0.03 -0.76 0.00 0.41 -0.33 0.00 0.00 177.00 176.35 1vj6 n GLY 11 N 4.04 0.63 3.64 0.52 0.00 -1.26 -5.03 105.19 107.73 1vj6 n GLY 11 Ca 0.16 -0.65 -0.43 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.59 6.81 0.09 1.61 2.15 -1.18 -4.80 116.67 118.76 1vj6 s ASP 12 Ca 0.00 1.30 -0.16 0.00 0.43 0.00 0.00 52.55 54.12 1vj6 s ASP 12 Cb 0.00 -2.54 -0.07 0.00 -0.30 0.00 0.00 42.92 40.01 1vj6 s ASP 12 CO 0.00 -0.94 0.53 0.42 -0.17 0.00 0.00 175.17 175.01 1vj6 s THR 13 N 3.95 4.84 -0.14 1.71 -4.23 -1.26 -1.57 115.64 118.94 1vj6 s THR 13 Ca 0.53 0.99 -0.01 0.00 -1.18 0.00 0.00 61.69 62.02 1vj6 s THR 13 Cb -0.17 -3.80 0.04 0.00 1.34 0.00 0.00 72.50 69.91 1vj6 s THR 13 CO 0.18 0.43 -0.04 0.72 -0.54 0.00 0.00 174.62 175.37 1vj6 s PHE 14 N -1.25 1.41 -1.10 3.99 -0.71 -0.02 -5.01 117.98 115.29 1vj6 s PHE 14 Ca 0.32 -0.83 -0.16 0.00 -1.04 0.00 0.00 56.93 55.22 1vj6 s PHE 14 Cb -0.17 -1.18 0.15 0.00 -1.21 0.00 0.00 43.02 40.61 1vj6 s PHE 14 CO 0.18 -0.55 1.32 -1.21 -1.34 0.00 0.00 175.22 173.62 1vj6 s GLU 15 N 1.73 3.90 -0.45 1.99 8.01 -1.26 -1.50 118.70 131.11 1vj6 s GLU 15 Ca 0.02 -2.26 -0.28 0.00 0.01 0.00 0.00 54.97 52.45 1vj6 s GLU 15 Cb -0.14 -5.01 0.03 0.00 -4.31 0.00 0.00 34.13 24.70 1vj6 s GLU 15 CO -0.07 -1.77 1.10 0.08 0.01 0.00 0.00 175.26 174.60 1vj6 s VAL 16 N 2.02 4.29 -0.27 2.63 1.01 0.37 -4.81 120.40 125.64 1vj6 s VAL 16 Ca 0.39 1.22 -0.11 0.00 0.00 0.00 0.00 61.98 63.48 1vj6 s VAL 16 Cb -0.04 -4.55 -0.05 0.00 0.00 0.00 0.00 36.38 31.74 1vj6 s VAL 16 CO -0.04 -0.91 0.20 -1.83 0.00 0.00 0.00 175.10 172.52 1vj6 s GLU 17 N 4.24 4.00 0.42 2.72 -1.05 -1.26 0.57 118.70 128.33 1vj6 s GLU 17 Ca 0.46 -0.27 0.05 0.00 -0.15 0.00 0.00 54.97 55.05 1vj6 s GLU 17 Cb -0.08 -3.62 -0.06 0.00 -0.44 0.00 0.00 34.13 29.93 1vj6 s GLU 17 CO 0.29 -0.11 0.02 -0.51 0.95 0.00 0.00 175.26 175.90 1vj6 s LEU 18 N 1.55 2.55 -0.08 1.83 1.43 0.33 -4.97 118.68 121.31 1vj6 s LEU 18 Ca 0.08 -1.47 -0.00 0.00 -1.03 0.00 0.00 54.13 51.70 1vj6 s LEU 18 Cb -0.15 -0.71 0.03 0.00 0.03 0.00 0.00 46.19 45.38 1vj6 s LEU 18 CO 0.09 -0.62 -0.04 0.00 0.23 0.00 0.00 176.35 176.02 1vj6 s ALA 19 N -2.89 0.91 0.83 4.21 0.00 -1.26 -2.18 121.76 121.37 1vj6 s ALA 19 Ca 0.27 -0.25 -0.10 0.00 0.00 0.00 0.00 51.96 51.87 1vj6 s ALA 19 Cb 0.07 -0.73 0.09 0.00 0.00 0.00 0.00 23.12 22.55 1vj6 s ALA 19 CO 0.13 -0.34 1.11 -1.59 0.00 0.00 0.00 175.76 175.07 1vj6 s LYS 20 N 1.65 1.79 -0.32 0.00 -2.85 -1.19 -4.83 119.74 114.00 1vj6 s LYS 20 Ca 0.01 1.25 -0.01 0.00 -1.00 0.00 0.00 55.97 56.23 1vj6 s LYS 20 Cb -0.13 -1.84 0.07 0.00 -2.06 0.00 0.00 37.83 33.87 1vj6 s LYS 20 CO -0.05 -1.99 0.03 -0.08 0.10 0.00 0.00 175.35 173.36 1vj6 s THR 21 N -2.83 2.85 -1.27 3.79 -1.32 0.39 -4.73 115.64 112.53 1vj6 s THR 21 Ca 0.63 -1.66 -0.11 0.00 -1.21 0.00 0.00 61.69 59.34 1vj6 s THR 21 Cb -0.19 -2.76 -0.00 0.00 -1.51 0.00 0.00 72.50 68.04 1vj6 s THR 21 CO 0.57 -0.26 0.62 -0.67 -2.21 0.00 0.00 174.62 172.66 1vj6 n ASP 22 N 4.55 -2.80 -2.62 8.08 2.03 -1.26 -3.04 116.55 121.49 1vj6 n ASP 22 Ca -0.09 -1.02 -0.12 0.00 0.52 0.00 0.00 54.79 54.08 1vj6 n ASP 22 Cb 0.43 -3.18 0.06 0.00 -0.72 0.00 0.00 41.12 37.71 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 -1.83 -0.09 3.17 0.27 0.00 -1.26 -5.01 105.19 100.43 1vj6 n GLY 23 Ca -0.20 -0.09 0.05 0.00 0.00 0.00 0.00 46.02 45.78 1vj6 n GLY 23 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1vj6 s SER 24 N -3.81 -0.55 0.16 1.61 0.01 -1.17 -5.00 113.70 104.96 1vj6 s SER 24 Ca 0.06 0.38 -0.05 0.00 1.31 0.00 0.00 55.95 57.65 1vj6 s SER 24 Cb -0.03 1.47 0.02 0.00 0.21 0.00 0.00 66.02 67.70 1vj6 s SER 24 CO 0.49 -0.10 1.42 -0.07 0.41 0.00 0.00 173.24 175.39 1vj6 h LEU 25 N 7.94 0.65 0.00 2.44 3.38 -1.92 0.11 115.31 127.90 1vj6 h LEU 25 Ca -0.15 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.43 1vj6 h LEU 25 Cb 1.17 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.73 1vj6 h LEU 25 CO -0.04 1.15 0.00 0.61 0.09 0.00 0.00 178.44 180.24 1vj6 n GLY 26 N 0.50 1.19 3.08 0.83 0.00 -1.26 -0.05 105.19 109.47 1vj6 n GLY 26 Ca -0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.00 1.38 -0.37 -0.61 -4.36 -1.26 -3.54 121.20 110.43 1vj6 s ILE 27 Ca 0.00 -0.63 -0.25 0.00 -0.26 0.00 0.00 60.65 59.52 1vj6 s ILE 27 Cb 0.00 -1.23 0.01 0.00 1.25 0.00 0.00 42.46 42.50 1vj6 s ILE 27 CO 0.00 0.41 0.88 -0.44 0.24 0.00 0.00 174.94 176.02 1vj6 s SER 28 N 0.54 6.63 -0.11 4.36 0.01 -0.99 -5.03 113.70 119.10 1vj6 s SER 28 Ca -0.15 0.48 -0.20 0.00 1.31 0.00 0.00 55.95 57.39 1vj6 s SER 28 Cb -0.16 -2.44 -0.04 0.00 0.21 0.00 0.00 66.02 63.59 1vj6 s SER 28 CO 0.05 -0.82 0.55 0.68 0.41 0.00 0.00 173.24 174.11 1vj6 s VAL 29 N 3.36 5.13 0.32 3.43 -7.23 -1.26 -0.61 120.40 123.55 1vj6 s VAL 29 Ca 0.36 1.11 0.09 0.00 -1.81 0.00 0.00 61.98 61.73 1vj6 s VAL 29 Cb -0.12 -3.89 -0.06 0.00 0.56 0.00 0.00 36.38 32.87 1vj6 s VAL 29 CO 0.18 0.28 -0.10 0.28 -0.31 0.00 0.00 175.10 175.44 1vj6 s THR 30 N 0.81 2.14 0.00 5.32 -1.32 -0.45 -4.85 115.64 117.30 1vj6 s THR 30 Ca 0.29 -2.21 0.00 0.00 -1.21 0.00 0.00 61.69 58.56 1vj6 s THR 30 Cb -0.16 -2.56 0.00 0.00 -1.51 0.00 0.00 72.50 68.27 1vj6 s THR 30 CO 0.12 -0.25 0.00 0.61 -2.21 0.00 0.00 174.62 172.89 1vj6 n GLY 31 N -0.72 0.19 0.00 6.08 0.00 -1.26 -0.86 105.19 108.61 1vj6 n GLY 31 Ca -0.05 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.56 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 2.41 0.00 -0.02 0.00 -1.14 -4.05 105.19 102.39 1vj6 n GLY 32 Ca 0.00 -1.81 0.05 0.00 0.00 0.00 0.00 46.02 44.27 1vj6 n GLY 32 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1vj6 n VAL 33 N 1.45 0.35 0.27 1.61 3.14 0.21 -2.06 118.33 123.30 1vj6 n VAL 33 Ca 0.00 0.09 0.16 0.00 -2.96 0.00 0.00 64.34 61.63 1vj6 n VAL 33 Cb 0.00 -0.91 0.69 0.00 -1.06 0.00 0.00 33.84 32.56 1vj6 n VAL 33 CO 0.00 0.00 0.00 -1.13 -6.46 0.00 0.00 176.83 169.24 1vj6 h ASN 34 N 0.00 0.00 -1.95 6.55 -1.24 -1.87 -3.43 115.58 113.65 1vj6 h ASN 34 Ca 0.00 0.00 -0.59 0.00 0.71 0.00 0.00 56.30 56.42 1vj6 h ASN 34 Cb 0.05 0.00 -0.13 0.00 0.73 0.00 0.00 38.32 38.96 1vj6 h ASN 34 CO 0.00 0.05 -0.58 0.28 -1.29 0.00 0.00 177.43 175.89 1vj6 s THR 35 N -3.73 1.48 -1.35 -3.57 -1.32 -0.87 -5.05 115.64 101.23 1vj6 s THR 35 Ca 0.00 -2.00 -0.10 0.00 -1.21 0.00 0.00 61.69 58.38 1vj6 s THR 35 Cb 0.10 -2.71 0.12 0.00 -1.51 0.00 0.00 72.50 68.49 1vj6 s THR 35 CO 0.55 0.00 2.07 -1.54 -2.21 0.00 0.00 174.62 173.50 1vj6 n SER 36 N -0.99 5.28 0.11 8.08 3.41 -1.26 -4.63 113.62 123.62 1vj6 n SER 36 Ca -0.07 -3.02 -0.24 0.00 -0.26 0.00 0.00 58.87 55.28 1vj6 n SER 36 Cb 0.67 -1.51 -0.15 0.00 -0.26 0.00 0.00 64.21 62.95 1vj6 n SER 36 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 1vj6 h VAL 37 N 3.64 1.13 0.00 -3.33 3.04 -1.92 -3.48 116.25 115.33 1vj6 h VAL 37 Ca 0.49 -2.63 0.00 0.00 -1.01 0.00 0.00 66.70 63.56 1vj6 h VAL 37 Cb 0.58 2.92 0.00 0.00 -2.01 0.00 0.00 31.29 32.78 1vj6 h VAL 37 CO 1.69 0.83 0.00 -1.14 -1.01 0.00 0.00 177.57 177.94 1vj6 n ARG 38 N -3.66 0.00 0.00 4.17 0.63 -1.26 -5.00 116.66 111.54 1vj6 n ARG 38 Ca -0.20 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.73 1vj6 n ARG 38 Cb 1.09 0.00 0.00 0.00 0.45 0.00 0.00 32.46 34.00 1vj6 n ARG 38 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 1vj6 n HIS 39 N 0.00 0.00 0.00 -0.14 8.25 -1.26 -5.09 115.22 116.98 1vj6 n HIS 39 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1vj6 n HIS 39 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1vj6 n HIS 39 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1vj6 n GLY 40 N 0.79 2.51 0.00 -1.41 0.00 -1.26 -4.45 105.19 101.36 1vj6 n GLY 40 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 0.92 3.34 -0.02 0.00 -1.19 -4.60 105.19 103.64 1vj6 n GLY 41 Ca 0.00 -0.88 -0.18 0.00 0.00 0.00 0.00 46.02 44.96 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 1.34 0.08 -0.61 1.10 -1.02 -2.90 121.20 117.18 1vj6 s ILE 42 Ca 0.00 -2.10 -0.00 0.00 -0.51 0.00 0.00 60.65 58.04 1vj6 s ILE 42 Cb 0.00 -2.19 -0.04 0.00 0.15 0.00 0.00 42.46 40.38 1vj6 s ILE 42 CO 0.00 -0.47 -0.02 -0.31 -2.11 0.00 0.00 174.94 172.02 1vj6 s TYR 43 N -3.22 0.68 0.00 3.50 1.51 -0.04 -1.04 117.35 118.74 1vj6 s TYR 43 Ca 0.25 -1.06 -0.29 0.00 -1.01 0.00 0.00 57.07 54.96 1vj6 s TYR 43 Cb 0.03 -0.44 -0.03 0.00 -0.11 0.00 0.00 41.96 41.41 1vj6 s TYR 43 CO 0.07 -0.34 0.95 0.08 -1.11 0.00 0.00 175.55 175.20 1vj6 s VAL 44 N -3.86 4.86 -0.16 0.71 1.01 -0.60 -1.34 120.40 121.03 1vj6 s VAL 44 Ca 0.11 2.00 -0.14 0.00 0.00 0.00 0.00 61.98 63.95 1vj6 s VAL 44 Cb 0.07 -4.29 -0.10 0.00 0.00 0.00 0.00 36.38 32.06 1vj6 s VAL 44 CO -0.07 0.18 0.05 0.50 0.00 0.00 0.00 175.10 175.76 1vj6 h LYS 45 N 6.71 0.00 -3.17 2.72 1.63 -1.18 -3.26 116.57 120.03 1vj6 h LYS 45 Ca -0.41 0.00 -0.17 0.00 -0.85 0.00 0.00 60.65 59.22 1vj6 h LYS 45 Cb 1.22 0.00 -0.26 0.00 -0.60 0.00 0.00 32.23 32.59 1vj6 h LYS 45 CO 0.75 0.42 -0.45 0.00 -3.45 0.00 0.00 179.45 176.71 1vj6 s ALA 46 N -2.55 -0.57 0.01 5.00 0.00 -1.23 -4.59 121.76 117.83 1vj6 s ALA 46 Ca -0.18 0.66 -0.17 0.00 0.00 0.00 0.00 51.96 52.27 1vj6 s ALA 46 Cb 0.03 -0.39 -0.06 0.00 0.00 0.00 0.00 23.12 22.70 1vj6 s ALA 46 CO 0.35 -0.11 0.49 0.42 0.00 0.00 0.00 175.76 176.92 1vj6 s ILE 47 N 0.16 4.94 0.64 0.00 -1.09 -1.26 -2.35 121.20 122.24 1vj6 s ILE 47 Ca -0.00 1.03 -0.06 0.00 -2.23 0.00 0.00 60.65 59.38 1vj6 s ILE 47 Cb -0.02 -3.82 0.03 0.00 -1.58 0.00 0.00 42.46 37.07 1vj6 s ILE 47 CO 0.00 0.51 0.95 0.27 -1.23 0.00 0.00 174.94 175.44 1vj6 s ILE 48 N -0.72 3.11 -0.88 2.92 -4.36 -1.23 -5.00 121.20 115.04 1vj6 s ILE 48 Ca 0.27 -0.09 -0.25 0.00 -0.26 0.00 0.00 60.65 60.32 1vj6 s ILE 48 Cb -0.18 -3.28 0.02 0.00 1.25 0.00 0.00 42.46 40.28 1vj6 s ILE 48 CO 0.15 -0.29 1.54 -2.16 0.24 0.00 0.00 174.94 174.42 1vj6 s PRO 49 N -5.10 3.20 -0.11 0.37 0.04 -1.26 -4.55 135.00 127.58 1vj6 s PRO 49 Ca 0.56 -0.56 -0.03 0.00 0.04 0.00 0.00 61.00 61.02 1vj6 s PRO 49 Cb -0.11 -4.89 0.00 0.00 0.04 0.00 0.00 34.50 29.55 1vj6 s PRO 49 CO 0.45 -2.46 0.10 1.63 0.04 0.00 0.00 177.00 176.77 1vj6 n LYS 50 N 9.05 -0.85 0.00 4.56 5.02 -1.26 -5.11 118.16 129.57 1vj6 n LYS 50 Ca 0.25 1.07 0.00 0.00 -2.02 0.00 0.00 58.31 57.61 1vj6 n LYS 50 Cb 0.50 -2.54 0.00 0.00 -0.02 0.00 0.00 35.03 32.96 1vj6 n LYS 50 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1vj6 n GLY 51 N -0.16 0.71 0.08 0.72 0.00 -1.26 -5.08 105.19 100.19 1vj6 n GLY 51 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 2.04 -0.15 4.61 0.00 0.93 -4.90 120.51 120.05 1vj6 n ALA 52 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1vj6 n ALA 52 Cb 0.00 0.12 0.02 0.00 0.00 0.00 0.00 19.45 19.59 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 0.74 -1.06 0.00 0.00 -1.26 -2.17 119.26 115.51 1vj6 h ALA 53 Ca 0.00 -0.38 0.28 0.00 0.00 0.00 0.00 54.91 54.81 1vj6 h ALA 53 Cb 0.23 -0.17 -0.10 0.00 0.00 0.00 0.00 17.79 17.75 1vj6 h ALA 53 CO 0.00 0.67 0.68 1.49 0.00 0.00 0.00 179.25 182.08 1vj6 h GLU 54 N 0.84 0.37 0.00 0.00 4.81 -1.86 -0.79 114.58 117.95 1vj6 h GLU 54 Ca 0.11 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1vj6 h GLU 54 Cb 0.76 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.06 1vj6 h GLU 54 CO 0.06 0.24 0.00 0.45 -0.73 0.00 0.00 179.01 179.04 1vj6 n SER 55 N -4.67 0.00 0.00 1.04 2.88 -0.81 -3.02 113.62 109.03 1vj6 n SER 55 Ca 0.27 -0.94 0.00 0.00 -1.33 0.00 0.00 58.87 56.87 1vj6 n SER 55 Cb 0.92 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.38 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 -0.79 0.00 0.00 -3.46 2.03 -0.30 -5.03 116.55 109.00 1vj6 n ASP 56 Ca 0.09 0.11 0.00 0.00 0.52 0.00 0.00 54.79 55.51 1vj6 n ASP 56 Cb 0.04 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.44 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 0.84 0.97 0.10 0.27 0.00 -1.17 -4.98 105.19 101.22 1vj6 n GLY 57 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 0.11 -6.96 1.61 3.08 -1.92 -3.46 114.38 106.85 1vj6 h ARG 58 Ca 0.00 -0.15 -0.52 0.00 0.07 0.00 0.00 59.98 59.38 1vj6 h ARG 58 Cb 0.00 0.05 0.07 0.00 0.08 0.00 0.00 29.97 30.17 1vj6 h ARG 58 CO 0.00 0.97 0.56 0.42 -1.07 0.00 0.00 179.97 180.85 1vj6 s ILE 59 N -3.00 2.82 0.00 2.04 1.01 -1.26 -5.06 121.20 117.75 1vj6 s ILE 59 Ca -0.01 0.70 0.00 0.00 0.00 0.00 0.00 60.65 61.33 1vj6 s ILE 59 Cb 0.10 -3.40 0.00 0.00 0.01 0.00 0.00 42.46 39.17 1vj6 s ILE 59 CO 0.83 0.07 0.00 1.57 0.00 0.00 0.00 174.94 177.41 1vj6 n HIS 60 N -0.02 -0.09 -1.13 3.97 -0.00 -1.26 -4.99 115.22 111.71 1vj6 n HIS 60 Ca 0.05 0.00 -0.23 0.00 0.46 0.00 0.00 57.72 58.00 1vj6 n HIS 60 Cb 0.45 0.00 -0.11 0.00 -0.12 0.00 0.00 29.99 30.21 1vj6 n HIS 60 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 1vj6 n LYS 61 N 0.00 2.68 0.00 1.57 5.02 -1.26 -3.65 118.16 122.52 1vj6 n LYS 61 Ca 0.00 -1.48 0.00 0.00 -2.02 0.00 0.00 58.31 54.81 1vj6 n LYS 61 Cb 0.00 -2.32 0.00 0.00 -0.02 0.00 0.00 35.03 32.69 1vj6 n LYS 61 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1vj6 n GLY 62 N 2.92 0.14 3.74 0.72 0.00 -1.23 -4.82 105.19 106.66 1vj6 n GLY 62 Ca 0.57 -0.08 -0.33 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.92 4.29 -0.28 1.61 1.01 -1.24 -4.61 116.67 116.53 1vj6 s ASP 63 Ca 0.00 2.14 -0.08 0.00 0.71 0.00 0.00 52.55 55.32 1vj6 s ASP 63 Cb 0.00 -2.56 -0.01 0.00 1.01 0.00 0.00 42.92 41.35 1vj6 s ASP 63 CO 0.00 -2.19 0.09 -0.60 0.21 0.00 0.00 175.17 172.69 1vj6 s ARG 64 N -4.24 3.40 -0.20 8.23 3.00 -0.87 -1.56 118.95 126.72 1vj6 s ARG 64 Ca 0.69 -0.65 -0.17 0.00 -1.00 0.00 0.00 55.73 54.60 1vj6 s ARG 64 Cb -0.24 -3.40 -0.04 0.00 0.00 0.00 0.00 34.95 31.28 1vj6 s ARG 64 CO 0.48 -0.32 0.44 0.54 0.00 0.00 0.00 175.30 176.43 1vj6 s VAL 65 N 1.58 5.17 -0.24 7.11 0.11 -0.21 0.08 120.40 134.00 1vj6 s VAL 65 Ca 0.05 0.79 0.07 0.00 -2.93 0.00 0.00 61.98 59.95 1vj6 s VAL 65 Cb -0.16 -3.77 -0.19 0.00 -1.53 0.00 0.00 36.38 30.73 1vj6 s VAL 65 CO 0.04 0.23 -0.14 0.00 -3.33 0.00 0.00 175.10 171.90 1vj6 n LEU 66 N 4.52 2.14 -3.90 2.54 -0.00 0.37 -2.44 117.00 120.21 1vj6 n LEU 66 Ca -0.07 -0.10 -0.09 0.00 -0.00 0.00 0.00 56.01 55.75 1vj6 n LEU 66 Cb 0.51 -0.51 -0.08 0.00 -0.00 0.00 0.00 43.42 43.34 1vj6 n LEU 66 CO 0.41 0.81 -0.16 0.00 -0.00 0.00 0.00 177.39 178.45 1vj6 s ALA 67 N -2.51 -0.13 -0.14 1.47 0.00 -1.08 -1.22 121.76 118.16 1vj6 s ALA 67 Ca -0.28 -0.58 -0.01 0.00 0.00 0.00 0.00 51.96 51.09 1vj6 s ALA 67 Cb 0.08 0.34 0.04 0.00 0.00 0.00 0.00 23.12 23.58 1vj6 s ALA 67 CO 0.66 -0.40 -0.03 0.08 0.00 0.00 0.00 175.76 176.08 1vj6 s VAL 68 N -3.16 0.82 -1.67 0.00 1.01 0.28 -0.19 120.40 117.49 1vj6 s VAL 68 Ca -0.00 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 61.58 1vj6 s VAL 68 Cb 0.02 -1.03 0.00 0.00 0.00 0.00 0.00 36.38 35.37 1vj6 s VAL 68 CO -0.07 0.13 0.00 0.59 0.00 0.00 0.00 175.10 175.75 1vj6 n ASN 69 N 4.98 -4.58 0.00 3.32 3.02 -0.32 -0.55 115.26 121.14 1vj6 n ASN 69 Ca -0.10 0.31 0.00 0.00 -0.03 0.00 0.00 54.58 54.76 1vj6 n ASN 69 Cb 0.48 -4.04 0.00 0.00 -0.61 0.00 0.00 39.78 35.61 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 -0.50 0.65 3.25 7.41 0.00 -1.26 -5.00 105.19 109.73 1vj6 n GLY 70 Ca -0.18 -0.20 -0.43 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.00 4.60 0.35 1.61 1.01 0.29 -5.06 120.40 121.21 1vj6 s VAL 71 Ca 0.00 -1.76 -0.29 0.00 0.00 0.00 0.00 61.98 59.94 1vj6 s VAL 71 Cb 0.00 -3.99 -0.11 0.00 0.00 0.00 0.00 36.38 32.28 1vj6 s VAL 71 CO 0.00 -0.82 1.46 -0.94 0.00 0.00 0.00 175.10 174.80 1vj6 s SER 72 N 2.91 6.44 -0.17 3.32 1.04 -1.26 -0.55 113.70 125.43 1vj6 s SER 72 Ca 0.06 2.95 -0.04 0.00 0.48 0.00 0.00 55.95 59.40 1vj6 s SER 72 Cb -0.27 -2.66 -0.08 0.00 0.10 0.00 0.00 66.02 63.12 1vj6 s SER 72 CO 0.00 -0.81 2.95 0.18 0.98 0.00 0.00 173.24 176.54 1vj6 n LEU 73 N 0.84 5.76 -4.63 2.42 4.77 -0.36 -4.90 117.00 120.91 1vj6 n LEU 73 Ca 0.02 -3.34 -0.43 0.00 -0.03 0.00 0.00 56.01 52.23 1vj6 n LEU 73 Cb 0.39 -1.28 -0.02 0.00 -2.33 0.00 0.00 43.42 40.18 1vj6 n LEU 73 CO 0.63 1.55 1.18 -1.61 -1.33 0.00 0.00 177.39 177.81 1vj6 s GLU 74 N -0.28 3.89 0.00 3.23 2.02 -1.26 -2.76 118.70 123.54 1vj6 s GLU 74 Ca 0.50 1.33 0.00 0.00 0.02 0.00 0.00 54.97 56.83 1vj6 s GLU 74 Cb 0.28 -3.91 0.00 0.00 0.10 0.00 0.00 34.13 30.60 1vj6 s GLU 74 CO -0.07 -1.15 0.00 0.41 0.02 0.00 0.00 175.26 174.47 1vj6 n GLY 75 N 4.38 0.62 3.76 -1.39 0.00 -1.26 -5.04 105.19 106.25 1vj6 n GLY 75 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.19 3.41 0.23 4.61 0.00 -1.11 -4.83 121.76 121.87 1vj6 s ALA 76 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 51.96 52.24 1vj6 s ALA 76 Cb 0.00 -2.96 0.00 0.00 0.00 0.00 0.00 23.12 20.16 1vj6 s ALA 76 CO 0.00 0.15 0.00 0.25 0.00 0.00 0.00 175.76 176.16 1vj6 n THR 77 N 2.42 0.00 0.26 0.00 -2.24 -1.26 -0.62 114.28 112.85 1vj6 n THR 77 Ca -0.04 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.59 1vj6 n THR 77 Cb 0.50 -1.23 -0.08 0.00 -2.10 0.00 0.00 70.33 67.42 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 -0.03 -0.62 -0.50 4.78 2.76 -1.87 -1.01 115.15 118.65 1vj6 h HIS 78 Ca 0.00 -0.01 -0.11 0.00 -2.20 0.00 0.00 60.37 58.05 1vj6 h HIS 78 Cb 0.00 0.21 -0.02 0.00 1.55 0.00 0.00 27.41 29.15 1vj6 h HIS 78 CO 0.00 -0.31 -0.12 -0.22 -1.30 0.00 0.00 177.93 175.99 1vj6 h LYS 79 N -0.89 0.92 -0.34 5.26 3.64 -1.95 -1.18 116.57 122.02 1vj6 h LYS 79 Ca -0.07 -0.33 -0.10 0.00 -1.27 0.00 0.00 60.65 58.88 1vj6 h LYS 79 Cb 0.60 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.34 1vj6 h LYS 79 CO 0.11 0.99 -0.20 0.37 -2.27 0.00 0.00 179.45 178.45 1vj6 h GLN 80 N 0.83 0.65 -0.59 1.90 4.15 -1.93 -0.73 115.11 119.38 1vj6 h GLN 80 Ca 0.13 -0.24 -0.09 0.00 0.77 0.00 0.00 58.65 59.22 1vj6 h GLN 80 Cb 0.65 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.27 1vj6 h GLN 80 CO 0.05 0.80 0.02 0.00 -1.93 0.00 0.00 178.83 177.77 1vj6 h ALA 81 N 1.21 0.91 0.15 3.38 0.00 -0.92 -1.10 119.26 122.89 1vj6 h ALA 81 Ca 0.09 -0.30 0.02 0.00 0.00 0.00 0.00 54.91 54.72 1vj6 h ALA 81 Cb 0.66 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 1vj6 h ALA 81 CO 0.05 0.65 -0.34 0.28 0.00 0.00 0.00 179.25 179.89 1vj6 h VAL 82 N 0.94 0.29 -0.74 0.00 2.07 -1.01 -2.35 116.25 115.45 1vj6 h VAL 82 Ca 0.17 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.85 1vj6 h VAL 82 Cb 0.52 0.29 -0.05 0.00 -1.52 0.00 0.00 31.29 30.54 1vj6 h VAL 82 CO 0.03 0.00 0.50 -0.08 0.02 0.00 0.00 177.57 178.03 1vj6 h GLU 83 N -0.58 0.33 -0.30 1.57 4.81 -0.96 0.51 114.58 119.96 1vj6 h GLU 83 Ca 0.02 -0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.11 1vj6 h GLU 83 Cb 0.60 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 1vj6 h GLU 83 CO -0.18 0.22 -0.33 1.15 -0.73 0.00 0.00 179.01 179.14 1vj6 h THR 84 N 0.34 1.28 0.06 0.32 2.02 -0.88 -2.00 112.91 114.05 1vj6 h THR 84 Ca 0.36 -1.45 -0.32 0.00 0.77 0.00 0.00 66.41 65.77 1vj6 h THR 84 Cb 0.93 1.41 -0.03 0.00 -1.74 0.00 0.00 68.15 68.72 1vj6 h THR 84 CO -0.10 0.47 -1.78 -0.07 0.37 0.00 0.00 175.52 174.40 1vj6 h LEU 85 N 0.54 0.21 0.12 2.58 3.38 -0.72 -3.42 115.31 118.00 1vj6 h LEU 85 Ca 0.06 -0.44 -0.17 0.00 0.09 0.00 0.00 57.88 57.42 1vj6 h LEU 85 Cb 0.82 -0.07 0.02 0.00 0.09 0.00 0.00 40.66 41.52 1vj6 h LEU 85 CO 0.07 1.39 -0.77 -0.09 0.09 0.00 0.00 178.44 179.13 1vj6 h ARG 86 N 0.04 0.25 -1.87 1.13 1.12 -0.08 -3.36 114.38 111.60 1vj6 h ARG 86 Ca -0.33 -0.43 -0.44 0.00 -1.11 0.00 0.00 59.98 57.67 1vj6 h ARG 86 Cb 2.02 0.16 -0.16 0.00 -0.01 0.00 0.00 29.97 31.97 1vj6 h ARG 86 CO 0.09 1.20 0.37 -1.71 -3.11 0.00 0.00 179.97 176.81 1vj6 n ASN 87 N -4.18 6.43 -1.32 -3.80 5.15 -0.75 -4.84 115.26 111.94 1vj6 n ASN 87 Ca -0.15 -3.14 0.00 0.00 -0.60 0.00 0.00 54.58 50.69 1vj6 n ASN 87 Cb 0.78 -1.20 0.00 0.00 -0.53 0.00 0.00 39.78 38.84 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 -4.99 114.28 106.16 1vj6 n THR 88 Ca 0.44 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.22 1vj6 n THR 88 Cb 0.58 -0.63 0.00 0.00 -2.10 0.00 0.00 70.33 68.17 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 0.79 1.65 3.38 0.00 -1.26 -5.06 105.19 109.69 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 0.00 0.00 -2.61 1.61 -0.06 -1.26 -5.04 117.38 110.03 1vj6 n GLN 90 Ca 0.00 0.00 -0.40 0.00 -2.00 0.00 0.00 57.00 54.60 1vj6 n GLN 90 Cb 0.00 -0.18 -0.05 0.00 -4.06 0.00 0.00 30.24 25.95 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 3.78 -0.11 1.69 1.01 -1.26 -3.14 120.40 120.37 1vj6 s VAL 91 Ca 0.00 1.78 0.00 0.00 0.00 0.00 0.00 61.98 63.76 1vj6 s VAL 91 Cb 0.00 -4.13 0.02 0.00 0.00 0.00 0.00 36.38 32.27 1vj6 s VAL 91 CO 0.00 0.42 -0.09 -0.69 0.00 0.00 0.00 175.10 174.75 1vj6 s VAL 92 N -1.14 1.06 -0.55 2.92 1.01 -0.93 -4.98 120.40 117.80 1vj6 s VAL 92 Ca 0.43 -0.33 -0.24 0.00 0.00 0.00 0.00 61.98 61.83 1vj6 s VAL 92 Cb -0.29 -1.06 0.04 0.00 0.00 0.00 0.00 36.38 35.07 1vj6 s VAL 92 CO 0.37 0.37 0.94 -1.00 0.00 0.00 0.00 175.10 175.77 1vj6 s HIS 93 N 1.51 2.80 -0.44 5.22 3.76 -1.26 -0.51 115.29 126.37 1vj6 s HIS 93 Ca 0.01 -0.02 -0.24 0.00 -0.15 0.00 0.00 55.06 54.67 1vj6 s HIS 93 Cb -0.13 -4.06 0.02 0.00 1.11 0.00 0.00 32.58 29.52 1vj6 s HIS 93 CO -0.06 -1.34 0.83 -0.51 -0.85 0.00 0.00 174.74 172.80 1vj6 s LEU 94 N 3.92 4.16 -0.72 0.89 1.43 0.19 -1.17 118.68 127.37 1vj6 s LEU 94 Ca 0.30 0.04 -0.22 0.00 -1.03 0.00 0.00 54.13 53.22 1vj6 s LEU 94 Cb -0.13 -3.05 0.08 0.00 0.03 0.00 0.00 46.19 43.13 1vj6 s LEU 94 CO 0.19 -0.93 1.02 -0.22 0.23 0.00 0.00 176.35 176.65 1vj6 s LEU 95 N 3.40 4.41 -0.09 1.79 0.20 0.73 -0.47 118.68 128.65 1vj6 s LEU 95 Ca 0.32 -1.16 -0.05 0.00 0.69 0.00 0.00 54.13 53.93 1vj6 s LEU 95 Cb -0.12 -2.43 -0.04 0.00 -0.43 0.00 0.00 46.19 43.18 1vj6 s LEU 95 CO 0.23 -1.40 0.12 -0.76 -0.29 0.00 0.00 176.35 174.25 1vj6 s LEU 96 N 3.94 4.21 -0.06 -0.68 1.43 -0.57 -0.48 118.68 126.47 1vj6 s LEU 96 Ca 0.25 0.37 -0.00 0.00 -1.03 0.00 0.00 54.13 53.72 1vj6 s LEU 96 Cb -0.14 -2.12 -0.03 0.00 0.03 0.00 0.00 46.19 43.93 1vj6 s LEU 96 CO 0.06 0.37 -0.02 -0.70 0.23 0.00 0.00 176.35 176.29 1vj6 s GLU 97 N -1.19 2.86 0.01 1.70 2.12 0.11 -0.84 118.70 123.47 1vj6 s GLU 97 Ca 0.17 -0.50 -0.30 0.00 0.36 0.00 0.00 54.97 54.70 1vj6 s GLU 97 Cb -0.12 -2.70 -0.09 0.00 0.26 0.00 0.00 34.13 31.48 1vj6 s GLU 97 CO 0.07 0.67 1.98 1.17 -0.54 0.00 0.00 175.26 178.61 1vj6 n LYS 98 N 1.99 2.77 -1.76 4.30 3.00 -0.61 -2.05 118.16 125.81 1vj6 n LYS 98 Ca -0.17 1.01 -0.41 0.00 -0.00 0.00 0.00 58.31 58.73 1vj6 n LYS 98 Cb 0.53 -2.99 -0.01 0.00 0.00 0.00 0.00 35.03 32.57 1vj6 n LYS 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1vj6 n GLY 99 N 4.60 4.56 3.31 3.14 0.00 -1.26 -4.60 105.19 114.94 1vj6 n GLY 99 Ca 0.21 -1.73 -0.24 0.00 0.00 0.00 0.00 46.02 44.26 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 1.70 1.20 0.34 1.61 1.11 -1.26 -4.76 119.66 119.60 1vj6 s GLN 100 Ca 0.54 -1.26 -0.03 0.00 0.01 0.00 0.00 55.36 54.62 1vj6 s GLN 100 Cb 0.15 -1.45 -0.04 0.00 -1.01 0.00 0.00 33.01 30.66 1vj6 s GLN 100 CO -0.06 0.33 0.58 0.14 0.01 0.00 0.00 175.29 176.29 1vj6 s VAL 101 N -1.39 5.04 -2.00 1.09 -7.23 -1.26 -4.88 120.40 109.77 1vj6 s VAL 101 Ca 0.10 -0.12 0.19 0.00 -1.81 0.00 0.00 61.98 60.34 1vj6 s VAL 101 Cb -0.09 -3.80 0.55 0.00 0.56 0.00 0.00 36.38 33.60 1vj6 s VAL 101 CO 0.05 -0.48 1.55 -2.65 -0.31 0.00 0.00 175.10 173.26