#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 0.85 0.20 0.03 -0.14 -1.26 -5.11 119.74 114.31 1vj6 s LYS 9 Ca 0.00 -0.79 -0.30 0.00 -1.36 0.00 0.00 55.97 53.52 1vj6 s LYS 9 Cb 0.00 0.36 -0.08 0.00 -1.68 0.00 0.00 37.83 36.43 1vj6 s LYS 9 CO 0.00 -0.28 1.16 -1.25 -0.76 0.00 0.00 175.35 174.22 1vj6 s PRO 10 N -3.44 4.53 -0.92 -1.68 0.04 -1.26 -3.16 135.00 129.12 1vj6 s PRO 10 Ca 0.01 1.83 0.00 0.00 0.04 0.00 0.00 61.00 62.88 1vj6 s PRO 10 Cb 0.03 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.32 1vj6 s PRO 10 CO -0.09 -0.01 0.00 0.41 0.04 0.00 0.00 177.00 177.35 1vj6 n GLY 11 N 2.01 0.29 3.61 0.56 0.00 -1.26 -5.00 105.19 105.40 1vj6 n GLY 11 Ca 0.03 -0.50 -0.43 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.64 6.72 0.20 1.61 2.15 -1.19 -4.86 116.67 118.66 1vj6 s ASP 12 Ca 0.00 0.66 -0.16 0.00 0.43 0.00 0.00 52.55 53.48 1vj6 s ASP 12 Cb 0.00 -2.49 -0.08 0.00 -0.30 0.00 0.00 42.92 40.05 1vj6 s ASP 12 CO 0.00 -0.92 0.63 0.42 -0.17 0.00 0.00 175.17 175.13 1vj6 s THR 13 N 3.64 4.75 -0.20 1.71 -4.23 -1.26 -1.61 115.64 118.45 1vj6 s THR 13 Ca 0.41 0.97 0.00 0.00 -1.18 0.00 0.00 61.69 61.89 1vj6 s THR 13 Cb -0.11 -3.76 0.05 0.00 1.34 0.00 0.00 72.50 70.02 1vj6 s THR 13 CO 0.20 0.17 -0.07 0.72 -0.54 0.00 0.00 174.62 175.09 1vj6 s PHE 14 N -1.56 2.16 -1.07 3.99 -0.71 -0.01 -5.00 117.98 115.77 1vj6 s PHE 14 Ca 0.42 -1.48 -0.18 0.00 -1.04 0.00 0.00 56.93 54.66 1vj6 s PHE 14 Cb -0.15 -1.51 0.13 0.00 -1.21 0.00 0.00 43.02 40.28 1vj6 s PHE 14 CO 0.20 -0.71 1.34 -2.00 -1.34 0.00 0.00 175.22 172.71 1vj6 s GLU 15 N 1.48 3.80 0.61 1.99 2.12 -1.26 -2.03 118.70 125.40 1vj6 s GLU 15 Ca -0.02 -1.97 -0.17 0.00 0.36 0.00 0.00 54.97 53.17 1vj6 s GLU 15 Cb -0.17 -5.10 -0.03 0.00 0.26 0.00 0.00 34.13 29.10 1vj6 s GLU 15 CO -0.07 -1.89 1.11 0.08 -0.54 0.00 0.00 175.26 173.95 1vj6 s VAL 16 N 2.82 3.26 -0.06 3.70 1.01 -0.51 -4.87 120.40 125.76 1vj6 s VAL 16 Ca 0.40 0.67 0.03 0.00 0.00 0.00 0.00 61.98 63.08 1vj6 s VAL 16 Cb -0.02 -3.20 0.01 0.00 0.00 0.00 0.00 36.38 33.16 1vj6 s VAL 16 CO -0.04 -0.29 -0.13 -1.83 0.00 0.00 0.00 175.10 172.81 1vj6 s GLU 17 N -3.76 1.68 0.28 2.72 1.03 -1.26 -0.67 118.70 118.72 1vj6 s GLU 17 Ca 0.69 -0.45 0.04 0.00 0.03 0.00 0.00 54.97 55.27 1vj6 s GLU 17 Cb -0.21 -1.40 -0.06 0.00 -0.80 0.00 0.00 34.13 31.65 1vj6 s GLU 17 CO 0.35 0.08 0.03 -0.51 -1.33 0.00 0.00 175.26 173.88 1vj6 s LEU 18 N 0.48 2.16 -0.05 1.83 1.43 -0.02 -4.96 118.68 119.55 1vj6 s LEU 18 Ca -0.11 -1.31 0.04 0.00 -1.03 0.00 0.00 54.13 51.72 1vj6 s LEU 18 Cb -0.14 -0.34 -0.00 0.00 0.03 0.00 0.00 46.19 45.74 1vj6 s LEU 18 CO 0.03 -0.56 -0.17 0.00 0.23 0.00 0.00 176.35 175.88 1vj6 s ALA 19 N -3.35 1.57 0.31 4.21 0.00 -1.26 -1.85 121.76 121.38 1vj6 s ALA 19 Ca 0.33 -0.70 -0.29 0.00 0.00 0.00 0.00 51.96 51.30 1vj6 s ALA 19 Cb 0.07 -0.54 -0.11 0.00 0.00 0.00 0.00 23.12 22.54 1vj6 s ALA 19 CO 0.13 0.27 1.53 0.15 0.00 0.00 0.00 175.76 177.84 1vj6 s LYS 20 N 0.11 4.15 -1.13 0.00 1.02 -1.20 -4.82 119.74 117.86 1vj6 s LYS 20 Ca -0.06 2.52 -0.18 0.00 0.02 0.00 0.00 55.97 58.27 1vj6 s LYS 20 Cb -0.12 -3.03 0.11 0.00 -0.52 0.00 0.00 37.83 34.27 1vj6 s LYS 20 CO 0.03 -0.55 1.46 0.95 -0.92 0.00 0.00 175.35 176.32 1vj6 s THR 21 N -0.32 4.46 -1.04 2.17 -4.23 0.18 -4.44 115.64 112.41 1vj6 s THR 21 Ca 0.59 -1.79 -0.06 0.00 -1.18 0.00 0.00 61.69 59.25 1vj6 s THR 21 Cb -0.46 -5.00 -0.07 0.00 1.34 0.00 0.00 72.50 68.31 1vj6 s THR 21 CO 0.51 -1.79 0.91 -0.67 -0.54 0.00 0.00 174.62 173.04 1vj6 n ASP 22 N 7.35 -6.63 -2.61 3.99 2.03 -1.26 -3.88 116.55 115.55 1vj6 n ASP 22 Ca 0.37 -0.70 -0.12 0.00 0.52 0.00 0.00 54.79 54.86 1vj6 n ASP 22 Cb 0.47 -5.18 0.06 0.00 -0.72 0.00 0.00 41.12 35.74 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 -1.24 -0.08 0.00 0.27 0.00 -1.26 -5.00 105.19 97.88 1vj6 n GLY 23 Ca -0.07 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1vj6 n GLY 23 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1vj6 n SER 24 N -2.30 0.00 -0.06 1.61 2.88 -1.25 -5.00 113.62 109.51 1vj6 n SER 24 Ca -0.17 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.26 1vj6 n SER 24 Cb 0.60 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 64.01 1vj6 n SER 24 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1vj6 h LEU 25 N 0.00 0.29 0.00 2.46 3.38 -1.91 0.54 115.31 120.07 1vj6 h LEU 25 Ca 0.00 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1vj6 h LEU 25 Cb 0.00 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1vj6 h LEU 25 CO 0.00 0.52 0.00 0.61 0.09 0.00 0.00 178.44 179.66 1vj6 n GLY 26 N -0.32 1.18 3.30 0.83 0.00 -1.26 0.04 105.19 108.95 1vj6 n GLY 26 Ca -0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.97 2.70 -0.59 -0.61 -4.36 -1.26 -1.97 121.20 113.14 1vj6 s ILE 27 Ca 0.00 -0.77 -0.28 0.00 -0.26 0.00 0.00 60.65 59.34 1vj6 s ILE 27 Cb 0.00 -2.12 0.02 0.00 1.25 0.00 0.00 42.46 41.61 1vj6 s ILE 27 CO 0.00 0.53 1.30 -0.44 0.24 0.00 0.00 174.94 176.57 1vj6 s SER 28 N 0.57 6.27 -0.13 4.36 0.01 -1.04 -5.00 113.70 118.73 1vj6 s SER 28 Ca -0.10 0.12 -0.27 0.00 1.31 0.00 0.00 55.95 57.02 1vj6 s SER 28 Cb -0.16 -2.55 -0.02 0.00 0.21 0.00 0.00 66.02 63.50 1vj6 s SER 28 CO 0.04 -1.63 0.88 0.68 0.41 0.00 0.00 173.24 173.62 1vj6 s VAL 29 N 5.55 4.87 0.30 3.43 -7.23 -1.26 -1.30 120.40 124.75 1vj6 s VAL 29 Ca 0.46 1.76 0.11 0.00 -1.81 0.00 0.00 61.98 62.50 1vj6 s VAL 29 Cb -0.09 -4.19 -0.05 0.00 0.56 0.00 0.00 36.38 32.61 1vj6 s VAL 29 CO 0.24 0.05 -0.13 0.28 -0.31 0.00 0.00 175.10 175.23 1vj6 s THR 30 N 1.92 2.59 0.00 5.32 -1.32 -0.59 -4.91 115.64 118.66 1vj6 s THR 30 Ca 0.42 -2.25 0.00 0.00 -1.21 0.00 0.00 61.69 58.64 1vj6 s THR 30 Cb -0.17 -2.50 0.00 0.00 -1.51 0.00 0.00 72.50 68.32 1vj6 s THR 30 CO 0.15 -0.34 0.00 0.61 -2.21 0.00 0.00 174.62 172.83 1vj6 n GLY 31 N -0.73 0.07 0.00 6.08 0.00 -1.26 -0.83 105.19 108.53 1vj6 n GLY 31 Ca -0.05 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.76 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 1.97 0.00 -0.02 0.00 -1.19 -4.28 105.19 101.67 1vj6 n GLY 32 Ca 0.00 -2.07 0.05 0.00 0.00 0.00 0.00 46.02 44.00 1vj6 n GLY 32 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1vj6 n VAL 33 N 0.55 1.02 0.27 1.61 0.24 -0.18 -2.94 118.33 118.89 1vj6 n VAL 33 Ca 0.00 0.25 0.11 0.00 -2.04 0.00 0.00 64.34 62.66 1vj6 n VAL 33 Cb 0.00 -1.08 0.73 0.00 -1.47 0.00 0.00 33.84 32.02 1vj6 n VAL 33 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1vj6 h ASN 34 N 0.00 0.00 -0.72 -1.34 7.08 -1.85 -3.46 115.58 115.29 1vj6 h ASN 34 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 1vj6 h ASN 34 Cb 0.14 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.38 1vj6 h ASN 34 CO 0.00 0.06 0.00 1.07 -2.08 0.00 0.00 177.43 176.48 1vj6 n THR 35 N -4.05 0.00 -2.76 6.14 5.66 -1.15 -5.09 114.28 113.03 1vj6 n THR 35 Ca -0.03 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.55 1vj6 n THR 35 Cb 0.15 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 68.90 1vj6 n THR 35 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1vj6 s SER 36 N 0.34 6.48 0.00 1.09 0.01 -1.26 -4.90 113.70 115.46 1vj6 s SER 36 Ca 0.00 -1.55 0.00 0.00 1.31 0.00 0.00 55.95 55.71 1vj6 s SER 36 Cb 0.00 -2.48 0.00 0.00 0.21 0.00 0.00 66.02 63.75 1vj6 s SER 36 CO 0.00 -1.34 0.00 1.33 0.41 0.00 0.00 173.24 173.64 1vj6 n VAL 37 N 6.12 0.00 0.00 3.43 0.24 -1.26 -5.06 118.33 121.80 1vj6 n VAL 37 Ca 0.21 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.51 1vj6 n VAL 37 Cb 0.49 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.86 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 0.00 0.00 -0.62 7.34 3.00 -1.26 -4.97 116.66 120.15 1vj6 n ARG 38 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 57.85 57.88 1vj6 n ARG 38 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 32.46 32.51 1vj6 n ARG 38 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.63 175.24 1vj6 n HIS 39 N 0.00 0.00 0.00 -0.14 1.44 -1.26 -5.08 115.22 110.18 1vj6 n HIS 39 Ca 0.00 -0.43 0.00 0.00 -2.01 0.00 0.00 57.72 55.28 1vj6 n HIS 39 Cb 0.00 -0.11 0.00 0.00 0.12 0.00 0.00 29.99 30.00 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 -0.29 4.03 0.00 -1.39 0.00 -1.26 -4.74 105.19 101.54 1vj6 n GLY 40 Ca 0.06 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 45.03 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 0.12 3.54 -0.02 0.00 -1.26 -4.56 105.19 103.02 1vj6 n GLY 41 Ca 0.00 -1.30 -0.25 0.00 0.00 0.00 0.00 46.02 44.47 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 -1.96 2.97 0.17 -0.61 1.10 -0.93 -3.19 121.20 118.75 1vj6 s ILE 42 Ca 0.00 -1.96 0.04 0.00 -0.51 0.00 0.00 60.65 58.22 1vj6 s ILE 42 Cb 0.00 -2.52 -0.05 0.00 0.15 0.00 0.00 42.46 40.05 1vj6 s ILE 42 CO 0.00 -0.25 -0.07 -0.31 -2.11 0.00 0.00 174.94 172.20 1vj6 s TYR 43 N -2.05 1.35 -0.09 3.50 1.51 -0.01 -0.67 117.35 120.88 1vj6 s TYR 43 Ca 0.27 -0.81 -0.23 0.00 -1.01 0.00 0.00 57.07 55.29 1vj6 s TYR 43 Cb -0.07 -0.72 -0.03 0.00 -0.11 0.00 0.00 41.96 41.03 1vj6 s TYR 43 CO 0.16 0.04 0.71 0.08 -1.11 0.00 0.00 175.55 175.42 1vj6 s VAL 44 N -3.36 5.03 -0.22 0.71 1.01 -0.60 -1.54 120.40 121.43 1vj6 s VAL 44 Ca 0.20 1.43 0.08 0.00 0.00 0.00 0.00 61.98 63.70 1vj6 s VAL 44 Cb 0.03 -4.04 -0.21 0.00 0.00 0.00 0.00 36.38 32.17 1vj6 s VAL 44 CO 0.03 0.21 -0.05 1.17 0.00 0.00 0.00 175.10 176.46 1vj6 n LYS 45 N 4.07 0.67 -3.67 2.72 3.00 -0.42 -3.60 118.16 120.93 1vj6 n LYS 45 Ca -0.01 0.10 -0.11 0.00 -0.00 0.00 0.00 58.31 58.29 1vj6 n LYS 45 Cb 0.51 -1.54 -0.09 0.00 0.00 0.00 0.00 35.03 33.91 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 -2.51 -1.46 -0.33 3.14 0.00 -1.25 -4.85 121.76 114.50 1vj6 s ALA 46 Ca -0.23 1.86 -0.12 0.00 0.00 0.00 0.00 51.96 53.46 1vj6 s ALA 46 Cb 0.08 -1.10 -0.02 0.00 0.00 0.00 0.00 23.12 22.08 1vj6 s ALA 46 CO 0.71 -0.31 0.23 0.42 0.00 0.00 0.00 175.76 176.81 1vj6 s ILE 47 N 1.06 5.22 0.29 0.00 -1.09 -1.26 -2.48 121.20 122.93 1vj6 s ILE 47 Ca -0.06 -0.20 -0.25 0.00 -2.23 0.00 0.00 60.65 57.91 1vj6 s ILE 47 Cb -0.06 -3.66 -0.09 0.00 -1.58 0.00 0.00 42.46 37.07 1vj6 s ILE 47 CO -0.10 0.02 0.89 0.27 -1.23 0.00 0.00 174.94 174.79 1vj6 s ILE 48 N 1.71 4.30 -1.33 2.92 -4.36 -0.83 -4.95 121.20 118.65 1vj6 s ILE 48 Ca 0.06 1.70 -0.16 0.00 -0.26 0.00 0.00 60.65 61.99 1vj6 s ILE 48 Cb -0.17 -3.98 0.01 0.00 1.25 0.00 0.00 42.46 39.57 1vj6 s ILE 48 CO 0.10 0.17 2.12 -0.81 0.24 0.00 0.00 174.94 176.77 1vj6 n PRO 49 N 0.64 2.67 0.00 0.37 -0.04 -1.26 -4.48 135.00 132.90 1vj6 n PRO 49 Ca 0.01 -2.57 0.00 0.00 -0.04 0.00 0.00 63.50 60.90 1vj6 n PRO 49 Cb 0.50 -3.27 0.00 0.00 -0.04 0.00 0.00 33.50 30.69 1vj6 n PRO 49 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1vj6 n LYS 50 N 6.55 0.00 0.00 0.54 5.02 -1.26 -5.11 118.16 123.90 1vj6 n LYS 50 Ca 0.51 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.80 1vj6 n LYS 50 Cb 0.40 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.41 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 4.11 -0.12 1.02 0.72 0.00 -1.26 -4.95 105.19 104.71 1vj6 n GLY 51 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 0.00 2.75 -0.12 4.61 0.00 -1.25 -4.48 120.51 122.02 1vj6 n ALA 52 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1vj6 n ALA 52 Cb 0.00 0.00 0.19 0.00 0.00 0.00 0.00 19.45 19.64 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 1.20 -0.31 0.00 0.00 -0.71 -1.12 119.26 118.32 1vj6 h ALA 53 Ca 0.00 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 1vj6 h ALA 53 Cb 0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1vj6 h ALA 53 CO 0.00 0.54 0.04 1.49 0.00 0.00 0.00 179.25 181.32 1vj6 h GLU 54 N 0.79 0.47 0.00 0.00 4.81 -1.80 -3.06 114.58 115.78 1vj6 h GLU 54 Ca 0.17 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1vj6 h GLU 54 Cb 0.31 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.62 1vj6 h GLU 54 CO 0.00 0.47 -0.01 1.03 -0.73 0.00 0.00 179.01 179.77 1vj6 h SER 55 N 0.46 0.00 0.00 1.04 0.87 -1.42 -2.46 113.55 112.03 1vj6 h SER 55 Ca 0.10 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 1vj6 h SER 55 Cb 0.24 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 1vj6 h SER 55 CO 0.00 0.01 0.00 -0.67 -0.53 0.00 0.00 176.83 175.64 1vj6 n ASP 56 N -3.14 0.00 0.00 6.23 2.03 -1.16 -4.99 116.55 115.53 1vj6 n ASP 56 Ca -0.02 0.47 0.00 0.00 0.52 0.00 0.00 54.79 55.77 1vj6 n ASP 56 Cb 0.16 -0.19 0.00 0.00 -0.72 0.00 0.00 41.12 40.37 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 0.63 0.85 0.11 0.27 0.00 -0.93 -4.91 105.19 101.22 1vj6 n GLY 57 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 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 3.81 0.00 -7.16 1.61 3.08 -1.88 -3.46 114.38 110.38 1vj6 h ARG 58 Ca 0.00 0.00 -0.48 0.00 0.07 0.00 0.00 59.98 59.57 1vj6 h ARG 58 Cb 0.00 0.00 0.05 0.00 0.08 0.00 0.00 29.97 30.10 1vj6 h ARG 58 CO 0.00 0.00 0.38 0.42 -1.07 0.00 0.00 179.97 179.70 1vj6 s ILE 59 N -3.30 3.87 0.32 2.04 1.01 -1.26 -5.07 121.20 118.81 1vj6 s ILE 59 Ca 0.02 0.96 -0.04 0.00 0.00 0.00 0.00 60.65 61.60 1vj6 s ILE 59 Cb 0.10 -3.43 -0.00 0.00 0.01 0.00 0.00 42.46 39.14 1vj6 s ILE 59 CO 0.76 -0.45 0.45 -2.28 0.00 0.00 0.00 174.94 173.42 1vj6 s HIS 60 N -2.33 0.98 -1.14 3.97 2.46 -1.26 -5.06 115.29 112.90 1vj6 s HIS 60 Ca 0.64 -1.22 -0.08 0.00 0.47 0.00 0.00 55.06 54.87 1vj6 s HIS 60 Cb -0.16 -0.09 -0.12 0.00 -0.13 0.00 0.00 32.58 32.09 1vj6 s HIS 60 CO 0.32 -1.08 3.09 0.36 -2.47 0.00 0.00 174.74 174.96 1vj6 n LYS 61 N -0.52 3.29 0.00 2.88 2.85 -1.26 -3.06 118.16 122.34 1vj6 n LYS 61 Ca 0.01 -1.99 0.00 0.00 -1.05 0.00 0.00 58.31 55.28 1vj6 n LYS 61 Cb 0.62 -2.56 0.00 0.00 -0.65 0.00 0.00 35.03 32.44 1vj6 n LYS 61 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1vj6 n GLY 62 N 3.06 0.68 3.89 2.58 0.00 -1.24 -4.75 105.19 109.41 1vj6 n GLY 62 Ca 0.67 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.40 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 5.12 -0.16 1.61 1.01 -1.17 -4.57 116.67 118.50 1vj6 s ASP 63 Ca 0.00 1.00 -0.07 0.00 0.71 0.00 0.00 52.55 54.19 1vj6 s ASP 63 Cb 0.00 -1.69 -0.04 0.00 1.01 0.00 0.00 42.92 42.20 1vj6 s ASP 63 CO 0.00 -1.54 0.06 -0.60 0.21 0.00 0.00 175.17 173.30 1vj6 s ARG 64 N -5.43 3.81 -0.21 8.23 3.52 -0.93 -1.55 118.95 126.38 1vj6 s ARG 64 Ca 0.59 -0.33 -0.07 0.00 -0.13 0.00 0.00 55.73 55.79 1vj6 s ARG 64 Cb -0.11 -3.15 -0.03 0.00 -1.56 0.00 0.00 34.95 30.09 1vj6 s ARG 64 CO 0.51 0.37 0.06 0.54 -0.81 0.00 0.00 175.30 175.97 1vj6 s VAL 65 N 0.08 4.47 -0.11 7.11 0.11 0.15 -0.09 120.40 132.13 1vj6 s VAL 65 Ca 0.05 -0.13 0.11 0.00 -2.93 0.00 0.00 61.98 59.08 1vj6 s VAL 65 Cb -0.12 -3.05 -0.16 0.00 -1.53 0.00 0.00 36.38 31.52 1vj6 s VAL 65 CO 0.01 0.40 0.07 0.00 -3.33 0.00 0.00 175.10 172.25 1vj6 n LEU 66 N 4.23 0.00 -3.68 2.54 -0.00 0.11 -2.19 117.00 118.01 1vj6 n LEU 66 Ca -0.16 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 55.75 1vj6 n LEU 66 Cb 0.52 0.26 -0.05 0.00 -0.00 0.00 0.00 43.42 44.15 1vj6 n LEU 66 CO 0.33 0.26 0.15 0.00 -0.00 0.00 0.00 177.39 178.13 1vj6 s ALA 67 N -2.38 -0.84 -0.12 1.47 0.00 -1.04 -0.73 121.76 118.13 1vj6 s ALA 67 Ca -0.06 -0.16 -0.02 0.00 0.00 0.00 0.00 51.96 51.73 1vj6 s ALA 67 Cb 0.04 0.72 0.04 0.00 0.00 0.00 0.00 23.12 23.91 1vj6 s ALA 67 CO 0.50 -0.66 -0.01 0.08 0.00 0.00 0.00 175.76 175.68 1vj6 s VAL 68 N -3.83 0.60 -1.93 0.00 1.01 0.41 -0.27 120.40 116.39 1vj6 s VAL 68 Ca 0.05 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 61.82 1vj6 s VAL 68 Cb 0.02 -0.83 0.00 0.00 0.00 0.00 0.00 36.38 35.57 1vj6 s VAL 68 CO -0.10 0.13 0.00 0.59 0.00 0.00 0.00 175.10 175.73 1vj6 n ASN 69 N 5.06 -5.38 0.00 3.32 3.02 -0.19 -0.13 115.26 120.97 1vj6 n ASN 69 Ca -0.09 0.30 0.00 0.00 -0.03 0.00 0.00 54.58 54.76 1vj6 n ASN 69 Cb 0.49 -4.65 0.00 0.00 -0.61 0.00 0.00 39.78 35.01 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 -0.61 0.75 3.38 7.41 0.00 -1.26 -5.02 105.19 109.84 1vj6 n GLY 70 Ca -0.21 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.72 4.96 0.25 1.61 1.01 0.82 -5.03 120.40 121.30 1vj6 s VAL 71 Ca 0.00 -0.96 -0.31 0.00 0.00 0.00 0.00 61.98 60.71 1vj6 s VAL 71 Cb 0.00 -4.36 -0.13 0.00 0.00 0.00 0.00 36.38 31.89 1vj6 s VAL 71 CO 0.00 -0.92 1.42 -1.54 0.00 0.00 0.00 175.10 174.06 1vj6 n SER 72 N 5.94 2.87 0.02 3.32 3.41 -1.26 -0.44 113.62 127.48 1vj6 n SER 72 Ca -0.10 1.15 -0.10 0.00 -0.26 0.00 0.00 58.87 59.56 1vj6 n SER 72 Cb 0.43 -1.45 -0.07 0.00 -0.26 0.00 0.00 64.21 62.85 1vj6 n SER 72 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1vj6 h LEU 73 N 4.12 -0.14 0.00 1.04 3.38 -1.28 -3.47 115.31 118.96 1vj6 h LEU 73 Ca -0.45 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.12 1vj6 h LEU 73 Cb 1.27 0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.06 1vj6 h LEU 73 CO 0.75 0.47 0.00 1.21 0.09 0.00 0.00 178.44 180.96 1vj6 n GLU 74 N -4.86 0.00 0.00 1.13 2.13 -1.26 -0.71 120.64 117.06 1vj6 n GLU 74 Ca -0.07 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.75 1vj6 n GLU 74 Cb 0.26 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.97 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 0.00 1.78 3.75 8.31 0.00 -1.26 -5.01 105.19 112.76 1vj6 n GLY 75 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.38 3.33 0.00 4.61 0.00 0.11 -4.75 121.76 123.69 1vj6 s ALA 76 Ca 0.00 0.65 0.00 0.00 0.00 0.00 0.00 51.96 52.61 1vj6 s ALA 76 Cb 0.00 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.88 1vj6 s ALA 76 CO 0.00 0.12 0.00 -2.37 0.00 0.00 0.00 175.76 173.51 1vj6 n THR 77 N 1.70 0.00 0.12 0.00 5.66 -1.26 -1.01 114.28 119.49 1vj6 n THR 77 Ca -0.01 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.85 1vj6 n THR 77 Cb 0.47 -0.46 -0.08 0.00 -1.55 0.00 0.00 70.33 68.71 1vj6 n THR 77 CO 0.00 0.00 0.00 -0.74 -3.05 0.00 0.00 175.07 171.28 1vj6 h HIS 78 N 0.05 -0.21 -0.00 1.09 2.76 -1.93 0.11 115.15 117.01 1vj6 h HIS 78 Ca 0.00 -0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.16 1vj6 h HIS 78 Cb 0.00 0.07 -0.00 0.00 1.55 0.00 0.00 27.41 29.03 1vj6 h HIS 78 CO 0.00 -0.07 -0.00 0.87 -1.30 0.00 0.00 177.93 177.43 1vj6 h LYS 79 N -0.31 0.00 -0.89 5.26 1.57 -1.96 -2.52 116.57 117.73 1vj6 h LYS 79 Ca -0.02 -0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.78 1vj6 h LYS 79 Cb 0.24 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.50 1vj6 h LYS 79 CO 0.04 0.33 0.58 0.37 -0.57 0.00 0.00 179.45 180.20 1vj6 h GLN 80 N -0.32 1.12 -0.70 3.15 -0.00 -1.94 -1.54 115.11 114.87 1vj6 h GLN 80 Ca 0.00 -0.07 -0.06 0.00 -0.00 0.00 0.00 58.65 58.53 1vj6 h GLN 80 Cb 0.33 -0.25 -0.03 0.00 0.00 0.00 0.00 27.48 27.52 1vj6 h GLN 80 CO 0.00 0.74 0.22 0.00 0.00 0.00 0.00 178.83 179.78 1vj6 h ALA 81 N 1.47 1.05 0.04 3.38 0.00 -0.75 -1.81 119.26 122.64 1vj6 h ALA 81 Ca 0.34 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1vj6 h ALA 81 Cb -0.05 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.46 1vj6 h ALA 81 CO -0.09 0.64 -0.04 0.28 0.00 0.00 0.00 179.25 180.04 1vj6 h VAL 82 N 1.04 0.90 -0.73 0.00 2.07 -0.94 -2.27 116.25 116.32 1vj6 h VAL 82 Ca 0.23 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.91 1vj6 h VAL 82 Cb 0.30 0.90 -0.12 0.00 -1.52 0.00 0.00 31.29 30.85 1vj6 h VAL 82 CO -0.01 0.00 0.02 -0.33 0.02 0.00 0.00 177.57 177.27 1vj6 h GLU 83 N -0.10 0.12 -0.53 1.57 5.08 -1.09 0.34 114.58 119.98 1vj6 h GLU 83 Ca 0.00 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1vj6 h GLU 83 Cb 0.09 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 1vj6 h GLU 83 CO -0.01 0.08 0.17 1.15 -1.00 0.00 0.00 179.01 179.40 1vj6 h THR 84 N 0.12 1.21 0.07 1.13 2.02 -1.08 -1.71 112.91 114.67 1vj6 h THR 84 Ca 0.40 -0.70 -0.32 0.00 0.77 0.00 0.00 66.41 66.56 1vj6 h THR 84 Cb 0.69 0.62 -0.03 0.00 -1.74 0.00 0.00 68.15 67.69 1vj6 h THR 84 CO -0.62 0.27 -1.76 0.18 0.37 0.00 0.00 175.52 173.95 1vj6 n LEU 85 N -4.31 2.32 -0.00 2.58 4.77 -0.88 -4.68 117.00 116.80 1vj6 n LEU 85 Ca 0.04 0.28 -0.12 0.00 -0.03 0.00 0.00 56.01 56.19 1vj6 n LEU 85 Cb 0.19 -1.04 -0.09 0.00 -2.33 0.00 0.00 43.42 40.15 1vj6 n LEU 85 CO 0.39 0.62 0.45 -0.09 -1.33 0.00 0.00 177.39 177.43 1vj6 h ARG 86 N -0.40 -0.08 -1.45 3.23 1.12 -0.36 -3.35 114.38 113.09 1vj6 h ARG 86 Ca -0.42 0.01 -0.30 0.00 -1.11 0.00 0.00 59.98 58.16 1vj6 h ARG 86 Cb 1.73 0.02 -0.13 0.00 -0.01 0.00 0.00 29.97 31.57 1vj6 h ARG 86 CO -0.06 0.50 0.39 -1.71 -3.11 0.00 0.00 179.97 175.98 1vj6 n ASN 87 N -4.81 5.91 -1.92 -3.80 5.15 -0.64 -4.77 115.26 110.37 1vj6 n ASN 87 Ca -0.08 -2.99 0.00 0.00 -0.60 0.00 0.00 54.58 50.91 1vj6 n ASN 87 Cb 0.31 -0.99 0.00 0.00 -0.53 0.00 0.00 39.78 38.56 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 0.28 0.00 0.00 -0.44 -2.24 -1.26 -5.00 114.28 105.62 1vj6 n THR 88 Ca 0.29 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.07 1vj6 n THR 88 Cb 0.65 -1.42 0.00 0.00 -2.10 0.00 0.00 70.33 67.46 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 0.78 0.32 3.38 0.00 -1.26 -5.03 105.19 108.37 1vj6 n GLY 89 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 0.43 -2.64 1.61 7.27 -1.26 -4.96 117.38 117.84 1vj6 n GLN 90 Ca 0.00 0.17 -0.42 0.00 0.07 0.00 0.00 57.00 56.82 1vj6 n GLN 90 Cb 0.00 -1.25 -0.03 0.00 2.41 0.00 0.00 30.24 31.37 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 -2.37 4.67 -0.26 1.69 1.01 -1.26 -3.26 120.40 120.62 1vj6 s VAL 91 Ca -0.27 1.92 0.02 0.00 0.00 0.00 0.00 61.98 63.64 1vj6 s VAL 91 Cb 0.10 -4.23 0.06 0.00 0.00 0.00 0.00 36.38 32.31 1vj6 s VAL 91 CO 0.37 0.14 -0.07 -0.69 0.00 0.00 0.00 175.10 174.85 1vj6 s VAL 92 N 1.08 1.88 -0.47 2.92 1.01 -0.77 -4.96 120.40 121.08 1vj6 s VAL 92 Ca 0.53 -1.53 -0.29 0.00 0.00 0.00 0.00 61.98 60.70 1vj6 s VAL 92 Cb -0.23 -2.10 0.03 0.00 0.00 0.00 0.00 36.38 34.07 1vj6 s VAL 92 CO 0.28 -0.13 1.20 -1.00 0.00 0.00 0.00 175.10 175.45 1vj6 s HIS 93 N 1.22 2.71 -0.25 5.22 3.76 -1.26 -0.84 115.29 125.85 1vj6 s HIS 93 Ca -0.05 0.69 -0.21 0.00 -0.15 0.00 0.00 55.06 55.33 1vj6 s HIS 93 Cb -0.19 -4.43 -0.02 0.00 1.11 0.00 0.00 32.58 29.05 1vj6 s HIS 93 CO -0.06 -1.44 0.66 -0.51 -0.85 0.00 0.00 174.74 172.54 1vj6 s LEU 94 N 4.70 4.07 -0.72 0.89 1.43 0.15 -1.02 118.68 128.18 1vj6 s LEU 94 Ca 0.50 0.76 -0.21 0.00 -1.03 0.00 0.00 54.13 54.15 1vj6 s LEU 94 Cb -0.08 -2.90 0.09 0.00 0.03 0.00 0.00 46.19 43.33 1vj6 s LEU 94 CO 0.32 -0.38 0.98 -0.22 0.23 0.00 0.00 176.35 177.27 1vj6 s LEU 95 N 2.51 4.70 -0.06 1.79 0.20 0.63 -1.43 118.68 127.02 1vj6 s LEU 95 Ca 0.27 -1.34 -0.02 0.00 0.69 0.00 0.00 54.13 53.74 1vj6 s LEU 95 Cb -0.15 -2.40 -0.04 0.00 -0.43 0.00 0.00 46.19 43.17 1vj6 s LEU 95 CO 0.08 -1.30 0.05 -0.76 -0.29 0.00 0.00 176.35 174.13 1vj6 s LEU 96 N 3.51 3.79 -0.04 -0.68 1.43 -0.86 -0.71 118.68 125.12 1vj6 s LEU 96 Ca 0.24 0.18 0.05 0.00 -1.03 0.00 0.00 54.13 53.56 1vj6 s LEU 96 Cb -0.15 -2.01 -0.03 0.00 0.03 0.00 0.00 46.19 44.04 1vj6 s LEU 96 CO 0.04 0.34 -0.17 -0.70 0.23 0.00 0.00 176.35 176.10 1vj6 s GLU 97 N -1.24 2.40 -0.12 1.70 2.12 0.87 -0.83 118.70 123.60 1vj6 s GLU 97 Ca 0.17 -0.76 -0.29 0.00 0.36 0.00 0.00 54.97 54.45 1vj6 s GLU 97 Cb -0.12 -2.30 -0.06 0.00 0.26 0.00 0.00 34.13 31.91 1vj6 s GLU 97 CO 0.07 0.61 1.94 0.21 -0.54 0.00 0.00 175.26 177.54 1vj6 s LYS 98 N -0.77 3.72 -0.35 4.30 2.47 -0.63 -2.20 119.74 126.29 1vj6 s LYS 98 Ca 0.11 2.15 -0.04 0.00 -1.56 0.00 0.00 55.97 56.63 1vj6 s LYS 98 Cb -0.10 -4.19 0.02 0.00 -1.46 0.00 0.00 37.83 32.10 1vj6 s LYS 98 CO 0.01 -1.41 2.80 0.41 0.16 0.00 0.00 175.35 177.31 1vj6 n GLY 99 N 4.95 4.04 3.29 5.54 0.00 -1.26 -4.47 105.19 117.28 1vj6 n GLY 99 Ca 0.23 -1.62 -0.31 0.00 0.00 0.00 0.00 46.02 44.32 1vj6 n GLY 99 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1vj6 s GLN 100 N -1.22 2.32 0.48 1.61 0.74 -1.26 -4.78 119.66 117.55 1vj6 s GLN 100 Ca 0.55 -0.92 -0.10 0.00 0.05 0.00 0.00 55.36 54.94 1vj6 s GLN 100 Cb 0.34 -2.10 -0.06 0.00 1.10 0.00 0.00 33.01 32.30 1vj6 s GLN 100 CO -0.15 0.47 0.85 0.14 -0.55 0.00 0.00 175.29 176.06 1vj6 s VAL 101 N -0.39 4.76 -2.00 1.34 -7.23 -1.26 -4.66 120.40 110.96 1vj6 s VAL 101 Ca 0.03 0.66 0.02 0.00 -1.81 0.00 0.00 61.98 60.89 1vj6 s VAL 101 Cb -0.12 -3.79 0.06 0.00 0.56 0.00 0.00 36.38 33.09 1vj6 s VAL 101 CO 0.01 -0.74 0.61 -2.65 -0.31 0.00 0.00 175.10 172.02