#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 0.35 -0.46 0.03 -0.14 -1.26 -5.09 119.74 113.17 1vj6 s LYS 9 Ca 0.00 -0.53 -0.27 0.00 -1.36 0.00 0.00 55.97 53.81 1vj6 s LYS 9 Cb 0.00 -0.10 -0.02 0.00 -1.68 0.00 0.00 37.83 36.03 1vj6 s LYS 9 CO 0.00 0.01 1.84 -1.25 -0.76 0.00 0.00 175.35 175.18 1vj6 s PRO 10 N -1.14 2.99 -1.27 -1.68 0.04 -1.26 -3.17 135.00 129.51 1vj6 s PRO 10 Ca -0.10 1.06 -0.08 0.00 0.04 0.00 0.00 61.00 61.92 1vj6 s PRO 10 Cb -0.08 -4.29 0.01 0.00 0.04 0.00 0.00 34.50 30.18 1vj6 s PRO 10 CO -0.00 -2.28 1.08 0.41 0.04 0.00 0.00 177.00 176.25 1vj6 n GLY 11 N 5.55 -0.44 3.74 0.56 0.00 -1.24 -4.88 105.19 108.48 1vj6 n GLY 11 Ca 0.22 0.19 -0.41 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.27 7.11 -0.24 1.61 2.15 -1.19 -4.48 116.67 118.35 1vj6 s ASP 12 Ca 0.54 2.24 -0.20 0.00 0.43 0.00 0.00 52.55 55.55 1vj6 s ASP 12 Cb -0.24 -2.61 -0.02 0.00 -0.30 0.00 0.00 42.92 39.75 1vj6 s ASP 12 CO 0.66 -0.34 0.63 0.42 -0.17 0.00 0.00 175.17 176.38 1vj6 s THR 13 N -0.21 4.99 -0.26 1.71 -4.23 -1.26 -1.63 115.64 114.76 1vj6 s THR 13 Ca 0.52 1.15 -0.02 0.00 -1.18 0.00 0.00 61.69 62.15 1vj6 s THR 13 Cb -0.32 -3.94 0.03 0.00 1.34 0.00 0.00 72.50 69.61 1vj6 s THR 13 CO 0.37 0.04 -0.05 0.72 -0.54 0.00 0.00 174.62 175.17 1vj6 s PHE 14 N 2.39 3.09 -1.09 3.99 -0.71 -0.84 -4.99 117.98 119.82 1vj6 s PHE 14 Ca 0.27 -1.54 -0.14 0.00 -1.04 0.00 0.00 56.93 54.48 1vj6 s PHE 14 Cb -0.16 -2.08 0.18 0.00 -1.21 0.00 0.00 43.02 39.76 1vj6 s PHE 14 CO 0.09 -0.72 1.25 -1.21 -1.34 0.00 0.00 175.22 173.28 1vj6 s GLU 15 N 1.33 3.95 0.54 1.99 2.02 -1.26 -1.77 118.70 125.50 1vj6 s GLU 15 Ca -0.00 -2.48 -0.17 0.00 0.02 0.00 0.00 54.97 52.34 1vj6 s GLU 15 Cb -0.17 -4.89 -0.06 0.00 0.10 0.00 0.00 34.13 29.11 1vj6 s GLU 15 CO -0.04 -1.64 1.03 0.08 0.02 0.00 0.00 175.26 174.71 1vj6 s VAL 16 N 1.24 4.03 -0.09 2.63 1.01 -0.26 -4.87 120.40 124.09 1vj6 s VAL 16 Ca 0.36 1.04 0.03 0.00 0.00 0.00 0.00 61.98 63.41 1vj6 s VAL 16 Cb -0.05 -3.50 0.01 0.00 0.00 0.00 0.00 36.38 32.84 1vj6 s VAL 16 CO -0.04 -0.49 -0.18 -1.83 0.00 0.00 0.00 175.10 172.56 1vj6 s GLU 17 N -3.85 2.41 0.20 2.72 -1.05 -1.26 -0.35 118.70 117.52 1vj6 s GLU 17 Ca 0.63 -0.65 0.06 0.00 -0.15 0.00 0.00 54.97 54.85 1vj6 s GLU 17 Cb -0.14 -1.89 -0.05 0.00 -0.44 0.00 0.00 34.13 31.61 1vj6 s GLU 17 CO 0.31 0.09 -0.09 -0.51 0.95 0.00 0.00 175.26 176.00 1vj6 s LEU 18 N 0.54 2.47 -0.20 1.83 1.43 0.09 -4.96 118.68 119.89 1vj6 s LEU 18 Ca -0.16 -1.08 0.01 0.00 -1.03 0.00 0.00 54.13 51.88 1vj6 s LEU 18 Cb -0.17 -0.50 0.03 0.00 0.03 0.00 0.00 46.19 45.59 1vj6 s LEU 18 CO 0.06 -0.31 -0.17 0.00 0.23 0.00 0.00 176.35 176.17 1vj6 s ALA 19 N -3.16 2.32 0.11 4.21 0.00 -1.26 -0.87 121.76 123.11 1vj6 s ALA 19 Ca 0.23 -1.32 -0.31 0.00 0.00 0.00 0.00 51.96 50.55 1vj6 s ALA 19 Cb 0.02 -1.28 -0.10 0.00 0.00 0.00 0.00 23.12 21.77 1vj6 s ALA 19 CO 0.06 -0.60 1.71 -1.59 0.00 0.00 0.00 175.76 175.34 1vj6 s LYS 20 N 1.27 4.17 -0.30 0.00 -2.85 -1.20 -4.76 119.74 116.08 1vj6 s LYS 20 Ca 0.01 2.45 -0.15 0.00 -1.00 0.00 0.00 55.97 57.28 1vj6 s LYS 20 Cb -0.15 -3.49 -0.03 0.00 -2.06 0.00 0.00 37.83 32.10 1vj6 s LYS 20 CO -0.10 -0.75 0.36 -0.08 0.10 0.00 0.00 175.35 174.87 1vj6 s THR 21 N 2.33 5.18 0.00 3.79 -1.32 -0.47 -4.16 115.64 121.00 1vj6 s THR 21 Ca 0.76 0.35 0.00 0.00 -1.21 0.00 0.00 61.69 61.59 1vj6 s THR 21 Cb -0.43 -3.73 0.00 0.00 -1.51 0.00 0.00 72.50 66.82 1vj6 s THR 21 CO 0.33 0.07 0.00 0.47 -2.21 0.00 0.00 174.62 173.28 1vj6 n ASP 22 N 5.34 0.00 0.00 8.08 8.00 -1.26 -3.11 116.55 133.61 1vj6 n ASP 22 Ca -0.09 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.41 1vj6 n ASP 22 Cb 0.50 -0.40 0.00 0.00 -0.02 0.00 0.00 41.12 41.21 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 -1.22 0.40 3.51 0.44 0.00 -1.26 -5.15 105.19 101.91 1vj6 n GLY 23 Ca 0.00 -0.18 0.02 0.00 0.00 0.00 0.00 46.02 45.87 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 0.00 -0.11 -0.02 1.61 0.01 -1.18 -5.03 113.70 108.97 1vj6 s SER 24 Ca 0.00 0.17 -0.11 0.00 1.31 0.00 0.00 55.95 57.32 1vj6 s SER 24 Cb 0.00 1.07 -0.32 0.00 0.21 0.00 0.00 66.02 66.99 1vj6 s SER 24 CO 0.00 -0.03 0.77 -0.07 0.41 0.00 0.00 173.24 174.32 1vj6 h LEU 25 N 5.81 0.65 0.00 2.44 3.38 -1.92 -1.24 115.31 124.43 1vj6 h LEU 25 Ca -0.22 -0.88 0.00 0.00 0.09 0.00 0.00 57.88 56.87 1vj6 h LEU 25 Cb 1.15 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1vj6 h LEU 25 CO 0.18 1.73 0.00 0.61 0.09 0.00 0.00 178.44 181.05 1vj6 n GLY 26 N 1.80 -0.07 3.65 0.83 0.00 -1.26 -0.68 105.19 109.46 1vj6 n GLY 26 Ca -0.22 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.80 5.05 -0.48 -0.61 -4.36 -1.26 -3.02 121.20 115.72 1vj6 s ILE 27 Ca 0.00 0.07 -0.28 0.00 -0.26 0.00 0.00 60.65 60.18 1vj6 s ILE 27 Cb 0.00 -3.32 0.03 0.00 1.25 0.00 0.00 42.46 40.42 1vj6 s ILE 27 CO 0.00 0.41 1.08 -0.44 0.24 0.00 0.00 174.94 176.23 1vj6 s SER 28 N 0.69 6.58 -0.13 4.36 0.01 -0.84 -5.02 113.70 119.36 1vj6 s SER 28 Ca 0.06 0.34 -0.25 0.00 1.31 0.00 0.00 55.95 57.41 1vj6 s SER 28 Cb -0.13 -2.52 -0.02 0.00 0.21 0.00 0.00 66.02 63.56 1vj6 s SER 28 CO 0.01 -1.21 0.80 0.68 0.41 0.00 0.00 173.24 173.93 1vj6 s VAL 29 N 4.29 4.93 0.29 3.43 -7.23 -1.26 -0.33 120.40 124.52 1vj6 s VAL 29 Ca 0.45 1.59 0.11 0.00 -1.81 0.00 0.00 61.98 62.32 1vj6 s VAL 29 Cb -0.08 -4.11 -0.05 0.00 0.56 0.00 0.00 36.38 32.69 1vj6 s VAL 29 CO 0.30 0.11 -0.18 0.28 -0.31 0.00 0.00 175.10 175.30 1vj6 s THR 30 N 1.66 2.42 0.00 5.32 -1.32 -0.46 -4.87 115.64 118.38 1vj6 s THR 30 Ca 0.39 -2.37 0.00 0.00 -1.21 0.00 0.00 61.69 58.50 1vj6 s THR 30 Cb -0.17 -2.35 0.00 0.00 -1.51 0.00 0.00 72.50 68.47 1vj6 s THR 30 CO 0.15 -0.37 0.00 0.61 -2.21 0.00 0.00 174.62 172.80 1vj6 n GLY 31 N -0.64 1.02 0.00 6.08 0.00 -1.26 -1.87 105.19 108.52 1vj6 n GLY 31 Ca -0.05 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.87 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 2.21 0.34 -0.02 0.00 -1.08 -4.12 105.19 102.51 1vj6 n GLY 32 Ca 0.00 -1.58 0.17 0.00 0.00 0.00 0.00 46.02 44.61 1vj6 n GLY 32 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1vj6 h VAL 33 N 0.00 0.62 -0.44 1.61 -1.51 -1.15 -3.31 116.25 112.08 1vj6 h VAL 33 Ca 0.00 0.00 0.08 0.00 -1.23 0.00 0.00 66.70 65.55 1vj6 h VAL 33 Cb 0.00 0.83 -0.10 0.00 -2.13 0.00 0.00 31.29 29.89 1vj6 h VAL 33 CO 0.00 0.00 -0.37 -1.13 -1.23 0.00 0.00 177.57 174.84 1vj6 h ASN 34 N 0.00 -1.24 0.00 4.19 -1.24 -1.89 -1.78 115.58 113.62 1vj6 h ASN 34 Ca 0.13 0.21 0.00 0.00 0.71 0.00 0.00 56.30 57.35 1vj6 h ASN 34 Cb 0.59 0.57 0.00 0.00 0.73 0.00 0.00 38.32 40.21 1vj6 h ASN 34 CO -0.00 -0.34 0.00 0.35 -1.29 0.00 0.00 177.43 176.15 1vj6 n THR 35 N -5.42 0.00 -0.32 -3.57 -2.24 -1.24 -4.83 114.28 96.65 1vj6 n THR 35 Ca 0.01 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.91 1vj6 n THR 35 Cb 0.35 0.00 0.26 0.00 -2.10 0.00 0.00 70.33 68.84 1vj6 n THR 35 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 1vj6 h SER 36 N 0.00 -0.44 0.29 3.42 0.87 -1.85 -0.81 113.55 115.03 1vj6 h SER 36 Ca 0.00 0.26 0.00 0.00 -1.23 0.00 0.00 61.79 60.82 1vj6 h SER 36 Cb 0.00 0.45 0.00 0.00 -0.44 0.00 0.00 62.40 62.41 1vj6 h SER 36 CO 0.00 -0.31 -0.39 1.33 -0.53 0.00 0.00 176.83 176.93 1vj6 n VAL 37 N -5.45 0.00 -3.28 2.23 0.24 -1.25 -4.96 118.33 105.87 1vj6 n VAL 37 Ca 0.21 -0.09 -0.15 0.00 -2.04 0.00 0.00 64.34 62.27 1vj6 n VAL 37 Cb 0.69 0.44 0.08 0.00 -1.47 0.00 0.00 33.84 33.57 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 -0.93 -5.06 -1.89 7.34 0.63 -0.31 -4.63 116.66 111.80 1vj6 n ARG 38 Ca 0.09 0.80 0.00 0.00 -0.92 0.00 0.00 57.85 57.82 1vj6 n ARG 38 Cb 0.35 -5.62 0.00 0.00 0.45 0.00 0.00 32.46 27.64 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 -3.70 -4.87 0.00 -0.14 8.25 -0.67 -5.08 115.22 109.01 1vj6 n HIS 39 Ca -0.21 2.55 0.00 0.00 -0.26 0.00 0.00 57.72 59.79 1vj6 n HIS 39 Cb 0.65 -3.71 0.00 0.00 1.12 0.00 0.00 29.99 28.05 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 0.20 -1.22 0.00 -1.41 0.00 -1.26 -4.96 105.19 96.54 1vj6 n GLY 40 Ca 0.00 0.71 0.00 0.00 0.00 0.00 0.00 46.02 46.73 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 1.61 3.58 -0.02 0.00 -1.26 -4.88 105.19 104.22 1vj6 n GLY 41 Ca 0.00 -0.55 -0.25 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.95 3.19 0.04 -0.61 1.10 -1.00 -2.65 121.20 119.32 1vj6 s ILE 42 Ca 0.00 -1.84 -0.01 0.00 -0.51 0.00 0.00 60.65 58.28 1vj6 s ILE 42 Cb 0.00 -2.64 -0.03 0.00 0.15 0.00 0.00 42.46 39.94 1vj6 s ILE 42 CO 0.00 -0.24 -0.01 -0.31 -2.11 0.00 0.00 174.94 172.27 1vj6 s TYR 43 N -2.02 0.42 -0.13 3.50 1.51 -0.78 -0.61 117.35 119.23 1vj6 s TYR 43 Ca 0.28 -0.88 -0.21 0.00 -1.01 0.00 0.00 57.07 55.25 1vj6 s TYR 43 Cb -0.07 -0.31 -0.03 0.00 -0.11 0.00 0.00 41.96 41.43 1vj6 s TYR 43 CO 0.17 -0.34 0.62 0.08 -1.11 0.00 0.00 175.55 174.97 1vj6 s VAL 44 N -3.24 5.07 -0.16 0.71 1.01 -1.01 -1.36 120.40 121.42 1vj6 s VAL 44 Ca 0.01 1.24 -0.26 0.00 0.00 0.00 0.00 61.98 62.97 1vj6 s VAL 44 Cb 0.03 -3.95 -0.23 0.00 0.00 0.00 0.00 36.38 32.23 1vj6 s VAL 44 CO -0.07 0.21 0.56 0.50 0.00 0.00 0.00 175.10 176.29 1vj6 h LYS 45 N 7.04 0.00 -3.84 2.72 3.11 -1.02 0.12 116.57 124.71 1vj6 h LYS 45 Ca -0.37 0.00 -0.26 0.00 -2.81 0.00 0.00 60.65 57.21 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 0.76 0.96 -0.73 0.00 -2.81 0.00 0.00 179.45 177.63 1vj6 s ALA 46 N -2.28 0.11 0.03 5.00 0.00 -1.24 -4.58 121.76 118.81 1vj6 s ALA 46 Ca -0.22 -0.02 -0.06 0.00 0.00 0.00 0.00 51.96 51.66 1vj6 s ALA 46 Cb -0.00 -0.05 -0.05 0.00 0.00 0.00 0.00 23.12 23.02 1vj6 s ALA 46 CO 0.63 0.01 0.29 0.42 0.00 0.00 0.00 175.76 177.12 1vj6 s ILE 47 N 0.09 5.27 -0.11 0.00 -1.09 -1.26 -1.98 121.20 122.12 1vj6 s ILE 47 Ca -0.01 0.15 -0.08 0.00 -2.23 0.00 0.00 60.65 58.48 1vj6 s ILE 47 Cb -0.02 -3.59 -0.04 0.00 -1.58 0.00 0.00 42.46 37.23 1vj6 s ILE 47 CO -0.00 0.31 0.18 0.27 -1.23 0.00 0.00 174.94 174.46 1vj6 s ILE 48 N -1.36 5.44 -1.45 2.92 -4.36 -1.17 -5.01 121.20 116.21 1vj6 s ILE 48 Ca 0.30 0.30 -0.13 0.00 -0.26 0.00 0.00 60.65 60.86 1vj6 s ILE 48 Cb -0.13 -3.45 -0.00 0.00 1.25 0.00 0.00 42.46 40.12 1vj6 s ILE 48 CO 0.18 0.59 2.39 -0.81 0.24 0.00 0.00 174.94 177.54 1vj6 n PRO 49 N 2.12 2.97 0.00 0.37 -0.04 -1.26 -4.18 135.00 134.98 1vj6 n PRO 49 Ca -0.19 -2.44 0.00 0.00 -0.04 0.00 0.00 63.50 60.84 1vj6 n PRO 49 Cb 0.54 -3.13 0.00 0.00 -0.04 0.00 0.00 33.50 30.87 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 5.48 0.00 0.00 0.54 2.85 -1.26 -5.18 118.16 120.59 1vj6 n LYS 50 Ca 0.58 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.84 1vj6 n LYS 50 Cb 0.35 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.73 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 0.77 0.32 2.58 0.00 -1.26 -4.88 105.19 102.72 1vj6 n GLY 51 Ca 0.00 -0.78 -0.02 0.00 0.00 0.00 0.00 46.02 45.23 1vj6 n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vj6 h ALA 52 N 0.00 1.31 -0.28 4.61 0.00 -1.16 -2.29 119.26 121.44 1vj6 h ALA 52 Ca 0.00 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.63 1vj6 h ALA 52 Cb 0.00 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 1vj6 h ALA 52 CO 0.00 0.52 -0.35 0.00 0.00 0.00 0.00 179.25 179.42 1vj6 h ALA 53 N 1.41 0.42 -0.29 0.00 0.00 -1.36 -2.37 119.26 117.07 1vj6 h ALA 53 Ca 0.21 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1vj6 h ALA 53 Cb 0.14 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1vj6 h ALA 53 CO -0.02 0.48 0.15 1.49 0.00 0.00 0.00 179.25 181.35 1vj6 h GLU 54 N 0.47 0.39 0.00 0.00 4.57 -1.77 -2.94 114.58 115.30 1vj6 h GLU 54 Ca 0.03 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1vj6 h GLU 54 Cb 0.94 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 29.44 1vj6 h GLU 54 CO 0.08 0.30 -0.07 0.66 -1.18 0.00 0.00 179.01 178.80 1vj6 h SER 55 N 0.40 0.00 0.00 1.04 4.64 -0.87 -3.28 113.55 115.48 1vj6 h SER 55 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1vj6 h SER 55 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1vj6 h SER 55 CO -0.02 0.07 0.00 -0.67 -0.87 0.00 0.00 176.83 175.34 1vj6 n ASP 56 N -4.24 0.00 0.00 4.97 2.03 -1.11 -4.99 116.55 113.21 1vj6 n ASP 56 Ca -0.03 0.75 0.00 0.00 0.52 0.00 0.00 54.79 56.03 1vj6 n ASP 56 Cb 0.15 -0.25 0.00 0.00 -0.72 0.00 0.00 41.12 40.30 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 -0.77 1.69 0.14 0.27 0.00 -1.24 -4.96 105.19 100.33 1vj6 n GLY 57 Ca 0.00 -0.06 0.10 0.00 0.00 0.00 0.00 46.02 46.06 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 0.00 -6.64 1.61 3.08 -1.90 -3.46 114.38 107.08 1vj6 h ARG 58 Ca 0.00 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.53 1vj6 h ARG 58 Cb 0.00 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.07 1vj6 h ARG 58 CO 0.00 0.06 0.60 0.42 -1.07 0.00 0.00 179.97 179.98 1vj6 s ILE 59 N -3.25 3.50 0.00 2.04 1.01 -1.26 -5.03 121.20 118.21 1vj6 s ILE 59 Ca 0.02 1.22 0.00 0.00 0.00 0.00 0.00 60.65 61.88 1vj6 s ILE 59 Cb 0.08 -3.78 0.00 0.00 0.01 0.00 0.00 42.46 38.77 1vj6 s ILE 59 CO 0.76 0.17 0.00 1.57 0.00 0.00 0.00 174.94 177.44 1vj6 n HIS 60 N 2.82 0.00 -2.50 3.97 -0.00 -1.26 -4.86 115.22 113.39 1vj6 n HIS 60 Ca 0.06 0.00 -0.42 0.00 0.46 0.00 0.00 57.72 57.82 1vj6 n HIS 60 Cb 0.44 0.00 -0.03 0.00 -0.12 0.00 0.00 29.99 30.28 1vj6 n HIS 60 CO 0.00 0.00 0.00 0.15 0.46 0.00 0.00 176.34 176.95 1vj6 s LYS 61 N 1.02 4.44 0.00 1.57 1.02 -1.26 -3.48 119.74 123.05 1vj6 s LYS 61 Ca 0.00 1.67 0.00 0.00 0.02 0.00 0.00 55.97 57.66 1vj6 s LYS 61 Cb 0.00 -3.41 0.00 0.00 -0.52 0.00 0.00 37.83 33.90 1vj6 s LYS 61 CO 0.00 -0.25 0.00 0.41 -0.92 0.00 0.00 175.35 174.59 1vj6 n GLY 62 N 3.17 0.51 3.89 -3.33 0.00 0.43 -5.02 105.19 104.84 1vj6 n GLY 62 Ca 0.09 -0.89 -0.33 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.86 6.55 -0.11 1.61 1.01 -1.23 -4.30 116.67 117.34 1vj6 s ASP 63 Ca 0.00 0.68 -0.19 0.00 0.71 0.00 0.00 52.55 53.75 1vj6 s ASP 63 Cb 0.00 -2.13 -0.04 0.00 1.01 0.00 0.00 42.92 41.76 1vj6 s ASP 63 CO 0.00 0.09 0.51 -0.60 0.21 0.00 0.00 175.17 175.39 1vj6 s ARG 64 N -2.38 4.35 -0.26 8.23 3.52 -0.92 -2.39 118.95 129.10 1vj6 s ARG 64 Ca 0.38 0.52 -0.09 0.00 -0.13 0.00 0.00 55.73 56.41 1vj6 s ARG 64 Cb -0.13 -3.44 -0.03 0.00 -1.56 0.00 0.00 34.95 29.79 1vj6 s ARG 64 CO 0.22 0.13 0.11 0.54 -0.81 0.00 0.00 175.30 175.49 1vj6 s VAL 65 N 0.69 4.63 -0.21 7.11 0.11 0.22 -0.33 120.40 132.62 1vj6 s VAL 65 Ca 0.28 -0.07 0.15 0.00 -2.93 0.00 0.00 61.98 59.41 1vj6 s VAL 65 Cb -0.16 -3.18 -0.24 0.00 -1.53 0.00 0.00 36.38 31.27 1vj6 s VAL 65 CO 0.11 0.31 0.03 0.00 -3.33 0.00 0.00 175.10 172.22 1vj6 n LEU 66 N 4.97 0.48 -3.71 2.54 -0.00 -0.08 -2.37 117.00 118.82 1vj6 n LEU 66 Ca -0.15 -0.02 -0.11 0.00 -0.00 0.00 0.00 56.01 55.73 1vj6 n LEU 66 Cb 0.52 0.27 -0.06 0.00 -0.00 0.00 0.00 43.42 44.15 1vj6 n LEU 66 CO 0.32 0.57 0.07 0.00 -0.00 0.00 0.00 177.39 178.35 1vj6 s ALA 67 N -2.50 -0.73 -0.07 1.47 0.00 -1.06 -1.97 121.76 116.90 1vj6 s ALA 67 Ca -0.14 -0.11 -0.01 0.00 0.00 0.00 0.00 51.96 51.70 1vj6 s ALA 67 Cb 0.06 0.52 0.03 0.00 0.00 0.00 0.00 23.12 23.73 1vj6 s ALA 67 CO 0.79 -0.54 -0.00 0.08 0.00 0.00 0.00 175.76 176.09 1vj6 s VAL 68 N -3.37 0.38 -1.35 0.00 1.01 0.15 -0.08 120.40 117.14 1vj6 s VAL 68 Ca 0.01 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.09 1vj6 s VAL 68 Cb 0.02 -0.53 0.00 0.00 0.00 0.00 0.00 36.38 35.87 1vj6 s VAL 68 CO -0.09 0.26 0.00 0.59 0.00 0.00 0.00 175.10 175.86 1vj6 n ASN 69 N 5.05 -4.69 -0.47 3.32 3.02 0.38 -0.88 115.26 120.99 1vj6 n ASN 69 Ca -0.09 0.12 -0.05 0.00 -0.03 0.00 0.00 54.58 54.53 1vj6 n ASN 69 Cb 0.50 -3.95 -0.02 0.00 -0.61 0.00 0.00 39.78 35.70 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 -0.88 0.65 3.15 7.41 0.00 -1.26 -5.02 105.19 109.24 1vj6 n GLY 70 Ca -0.19 -0.78 -0.37 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.22 3.37 0.42 1.61 1.01 -0.06 -5.09 120.40 119.44 1vj6 s VAL 71 Ca 0.00 -1.88 -0.25 0.00 0.00 0.00 0.00 61.98 59.84 1vj6 s VAL 71 Cb 0.00 -3.23 -0.08 0.00 0.00 0.00 0.00 36.38 33.07 1vj6 s VAL 71 CO 0.00 -0.59 1.28 -0.44 0.00 0.00 0.00 175.10 175.35 1vj6 s SER 72 N 1.80 6.23 -1.55 3.32 0.01 -1.26 -0.67 113.70 121.58 1vj6 s SER 72 Ca 0.06 2.60 -0.11 0.00 1.31 0.00 0.00 55.95 59.81 1vj6 s SER 72 Cb -0.22 -2.63 -0.06 0.00 0.21 0.00 0.00 66.02 63.31 1vj6 s SER 72 CO -0.03 -0.90 2.77 0.18 0.41 0.00 0.00 173.24 175.67 1vj6 n LEU 73 N -0.04 8.15 -4.65 2.44 4.77 -0.83 -4.90 117.00 121.95 1vj6 n LEU 73 Ca 0.05 -4.23 -0.39 0.00 -0.03 0.00 0.00 56.01 51.42 1vj6 n LEU 73 Cb 0.44 -1.55 -0.08 0.00 -2.33 0.00 0.00 43.42 39.91 1vj6 n LEU 73 CO 0.54 1.79 0.11 -0.70 -1.33 0.00 0.00 177.39 177.80 1vj6 s GLU 74 N 2.47 4.12 0.00 3.23 2.12 -1.26 -3.75 118.70 125.64 1vj6 s GLU 74 Ca 0.64 0.19 0.00 0.00 0.36 0.00 0.00 54.97 56.15 1vj6 s GLU 74 Cb 0.17 -3.58 0.00 0.00 0.26 0.00 0.00 34.13 30.98 1vj6 s GLU 74 CO -0.06 -0.14 0.00 0.41 -0.54 0.00 0.00 175.26 174.93 1vj6 n GLY 75 N 4.16 2.46 3.71 -1.50 0.00 -1.26 -5.00 105.19 107.76 1vj6 n GLY 75 Ca -0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 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 -3.21 3.32 0.19 4.61 0.00 -1.25 -4.87 121.76 120.56 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 -3.07 0.00 0.00 0.00 0.00 0.00 23.12 20.05 1vj6 s ALA 76 CO 0.00 -0.19 0.00 0.25 0.00 0.00 0.00 175.76 175.82 1vj6 n THR 77 N 3.91 0.00 0.10 0.00 -2.24 -1.26 -0.87 114.28 113.93 1vj6 n THR 77 Ca 0.01 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.66 1vj6 n THR 77 Cb 0.51 -1.19 -0.08 0.00 -2.10 0.00 0.00 70.33 67.47 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 -0.07 -0.19 -0.46 4.78 2.76 -1.88 -0.17 115.15 119.93 1vj6 h HIS 78 Ca 0.00 -0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.08 1vj6 h HIS 78 Cb 0.00 0.06 -0.02 0.00 1.55 0.00 0.00 27.41 29.01 1vj6 h HIS 78 CO 0.00 -0.02 -0.03 0.87 -1.30 0.00 0.00 177.93 177.45 1vj6 h LYS 79 N -0.32 0.84 -0.17 5.26 1.57 -1.95 -1.96 116.57 119.85 1vj6 h LYS 79 Ca -0.02 -0.28 -0.13 0.00 -1.87 0.00 0.00 60.65 58.35 1vj6 h LYS 79 Cb 0.25 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 1vj6 h LYS 79 CO 0.03 0.91 -0.45 0.37 -0.57 0.00 0.00 179.45 179.74 1vj6 h GLN 80 N 0.68 0.41 -0.24 3.15 4.15 -1.93 -2.49 115.11 118.84 1vj6 h GLN 80 Ca 0.13 -0.22 -0.06 0.00 0.77 0.00 0.00 58.65 59.27 1vj6 h GLN 80 Cb 0.55 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.24 1vj6 h GLN 80 CO 0.03 0.78 -0.10 0.00 -1.93 0.00 0.00 178.83 177.61 1vj6 h ALA 81 N 1.19 1.38 0.21 3.38 0.00 -0.89 -1.27 119.26 123.27 1vj6 h ALA 81 Ca 0.02 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1vj6 h ALA 81 Cb 0.92 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1vj6 h ALA 81 CO 0.08 0.43 -0.16 0.28 0.00 0.00 0.00 179.25 179.87 1vj6 h VAL 82 N 0.37 0.65 -0.92 0.00 2.07 -1.13 -2.25 116.25 115.04 1vj6 h VAL 82 Ca 0.07 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.75 1vj6 h VAL 82 Cb 0.41 0.65 -0.10 0.00 -1.52 0.00 0.00 31.29 30.73 1vj6 h VAL 82 CO 0.02 0.00 0.52 -0.33 0.02 0.00 0.00 177.57 177.80 1vj6 h GLU 83 N -0.38 0.70 0.00 1.57 5.08 -1.10 0.52 114.58 120.96 1vj6 h GLU 83 Ca -0.01 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 1vj6 h GLU 83 Cb 0.34 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 1vj6 h GLU 83 CO -0.01 0.46 -0.12 1.15 -1.00 0.00 0.00 179.01 179.50 1vj6 h THR 84 N 0.72 1.08 0.05 1.13 2.02 -1.00 -0.59 112.91 116.32 1vj6 h THR 84 Ca 0.51 -0.41 -0.38 0.00 0.77 0.00 0.00 66.41 66.90 1vj6 h THR 84 Cb 0.72 1.22 -0.05 0.00 -1.74 0.00 0.00 68.15 68.31 1vj6 h THR 84 CO -0.36 0.12 -2.23 0.18 0.37 0.00 0.00 175.52 173.60 1vj6 n LEU 85 N -4.39 2.74 -0.04 2.58 4.77 -0.63 -4.74 117.00 117.29 1vj6 n LEU 85 Ca -0.03 0.06 -0.13 0.00 -0.03 0.00 0.00 56.01 55.88 1vj6 n LEU 85 Cb 0.19 -1.00 -0.11 0.00 -2.33 0.00 0.00 43.42 40.17 1vj6 n LEU 85 CO 0.35 0.86 0.47 -0.09 -1.33 0.00 0.00 177.39 177.66 1vj6 h ARG 86 N -0.06 -0.02 -1.57 3.23 1.12 0.06 -3.35 114.38 113.79 1vj6 h ARG 86 Ca -0.51 0.00 -0.42 0.00 -1.11 0.00 0.00 59.98 57.94 1vj6 h ARG 86 Cb 1.92 0.00 -0.17 0.00 -0.01 0.00 0.00 29.97 31.71 1vj6 h ARG 86 CO -0.04 0.73 0.49 -1.71 -3.11 0.00 0.00 179.97 176.33 1vj6 n ASN 87 N -4.73 6.67 -4.93 -3.80 5.15 -0.24 -4.89 115.26 108.49 1vj6 n ASN 87 Ca -0.09 -3.21 -0.20 0.00 -0.60 0.00 0.00 54.58 50.48 1vj6 n ASN 87 Cb 0.37 -1.09 -0.02 0.00 -0.53 0.00 0.00 39.78 38.51 1vj6 n ASN 87 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1vj6 s THR 88 N -2.69 3.96 -1.24 -0.44 -4.23 -1.26 -4.96 115.64 104.78 1vj6 s THR 88 Ca 0.43 -1.14 -0.07 0.00 -1.18 0.00 0.00 61.69 59.72 1vj6 s THR 88 Cb 0.32 -3.35 0.01 0.00 1.34 0.00 0.00 72.50 70.81 1vj6 s THR 88 CO -0.07 -0.18 2.72 0.61 -0.54 0.00 0.00 174.62 177.16 1vj6 n GLY 89 N -1.52 4.64 4.90 3.99 0.00 -1.26 -4.84 105.19 111.10 1vj6 n GLY 89 Ca -0.01 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.22 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 2.32 0.00 -2.68 1.61 7.27 -1.26 -4.87 117.38 119.78 1vj6 n GLN 90 Ca 0.65 0.00 -0.42 0.00 0.07 0.00 0.00 57.00 57.30 1vj6 n GLN 90 Cb 0.32 -0.04 -0.03 0.00 2.41 0.00 0.00 30.24 32.91 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 0.00 4.77 -0.38 1.69 1.01 -1.26 -3.21 120.40 123.02 1vj6 s VAL 91 Ca 0.00 2.00 0.02 0.00 0.00 0.00 0.00 61.98 64.00 1vj6 s VAL 91 Cb 0.00 -4.28 0.11 0.00 0.00 0.00 0.00 36.38 32.20 1vj6 s VAL 91 CO 0.00 0.10 0.12 -0.69 0.00 0.00 0.00 175.10 174.63 1vj6 s VAL 92 N 1.39 2.65 -0.57 2.92 1.01 -0.05 -4.91 120.40 122.84 1vj6 s VAL 92 Ca 0.51 -2.32 -0.28 0.00 0.00 0.00 0.00 61.98 59.89 1vj6 s VAL 92 Cb -0.21 -2.89 0.03 0.00 0.00 0.00 0.00 36.38 33.30 1vj6 s VAL 92 CO 0.24 -0.65 1.26 -2.28 0.00 0.00 0.00 175.10 173.68 1vj6 s HIS 93 N 0.89 2.51 -0.16 5.22 2.46 -1.26 -0.73 115.29 124.22 1vj6 s HIS 93 Ca 0.11 0.43 -0.21 0.00 0.47 0.00 0.00 55.06 55.85 1vj6 s HIS 93 Cb -0.21 -4.48 -0.03 0.00 -0.13 0.00 0.00 32.58 27.73 1vj6 s HIS 93 CO -0.06 -1.71 0.63 -0.51 -2.47 0.00 0.00 174.74 170.62 1vj6 s LEU 94 N 5.26 4.19 -0.57 8.88 1.43 0.52 -0.47 118.68 137.93 1vj6 s LEU 94 Ca 0.46 0.91 -0.20 0.00 -1.03 0.00 0.00 54.13 54.27 1vj6 s LEU 94 Cb -0.08 -2.91 0.08 0.00 0.03 0.00 0.00 46.19 43.31 1vj6 s LEU 94 CO 0.25 -0.21 0.72 -0.22 0.23 0.00 0.00 176.35 177.12 1vj6 s LEU 95 N 1.55 5.07 0.03 1.79 0.20 0.88 -1.10 118.68 127.10 1vj6 s LEU 95 Ca 0.30 -1.16 -0.01 0.00 0.69 0.00 0.00 54.13 53.95 1vj6 s LEU 95 Cb -0.16 -2.39 -0.04 0.00 -0.43 0.00 0.00 46.19 43.17 1vj6 s LEU 95 CO 0.12 -1.09 0.19 -0.76 -0.29 0.00 0.00 176.35 174.52 1vj6 s LEU 96 N 2.89 4.33 -0.05 -0.68 1.02 -0.73 -0.91 118.68 124.55 1vj6 s LEU 96 Ca 0.15 0.29 0.05 0.00 0.02 0.00 0.00 54.13 54.63 1vj6 s LEU 96 Cb -0.21 -2.78 -0.02 0.00 0.02 0.00 0.00 46.19 43.19 1vj6 s LEU 96 CO 0.09 0.21 -0.19 -0.70 0.02 0.00 0.00 176.35 175.79 1vj6 s GLU 97 N -2.25 2.46 0.05 1.70 2.12 0.56 -1.98 118.70 121.36 1vj6 s GLU 97 Ca 0.31 -0.78 -0.31 0.00 0.36 0.00 0.00 54.97 54.56 1vj6 s GLU 97 Cb -0.13 -2.28 -0.07 0.00 0.26 0.00 0.00 34.13 31.91 1vj6 s GLU 97 CO 0.24 0.55 1.50 0.21 -0.54 0.00 0.00 175.26 177.22 1vj6 s LYS 98 N -0.56 4.25 0.44 4.30 2.47 -0.64 -2.17 119.74 127.84 1vj6 s LYS 98 Ca 0.08 2.14 0.25 0.00 -1.56 0.00 0.00 55.97 56.87 1vj6 s LYS 98 Cb -0.11 -3.51 0.66 0.00 -1.46 0.00 0.00 37.83 33.41 1vj6 s LYS 98 CO 0.01 -0.62 1.72 0.78 0.16 0.00 0.00 175.35 177.40 1vj6 h GLY 99 N 8.11 0.00 -7.10 5.54 0.00 -1.92 -3.36 103.07 104.34 1vj6 h GLY 99 Ca -0.41 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.33 1vj6 h GLY 99 CO 0.91 0.00 0.71 1.62 0.00 0.00 0.00 176.54 179.78 1vj6 s GLN 100 N -3.37 3.35 -0.32 4.80 2.00 -1.26 -5.00 119.66 119.85 1vj6 s GLN 100 Ca 0.04 -0.18 0.01 0.00 -2.00 0.00 0.00 55.36 53.23 1vj6 s GLN 100 Cb 0.07 -4.07 0.08 0.00 0.80 0.00 0.00 33.01 29.89 1vj6 s GLN 100 CO 0.64 -1.62 0.03 0.08 -0.50 0.00 0.00 175.29 173.92 1vj6 s VAL 101 N 4.37 2.65 -2.00 1.34 1.01 -1.26 -3.71 120.40 122.79 1vj6 s VAL 101 Ca 0.33 -1.86 0.01 0.00 0.00 0.00 0.00 61.98 60.46 1vj6 s VAL 101 Cb -0.11 -2.71 0.02 0.00 0.00 0.00 0.00 36.38 33.57 1vj6 s VAL 101 CO 0.20 -0.35 0.53 -2.65 0.00 0.00 0.00 175.10 172.83