#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 0.06 0.03 1.02 -1.26 -5.05 119.74 118.11 1vj6 s LYS 9 Ca 0.00 -0.16 -0.31 0.00 0.02 0.00 0.00 55.97 55.52 1vj6 s LYS 9 Cb 0.00 -2.97 -0.06 0.00 -0.52 0.00 0.00 37.83 34.28 1vj6 s LYS 9 CO 0.00 0.56 1.26 -1.25 -0.92 0.00 0.00 175.35 175.00 1vj6 s PRO 10 N -2.31 4.39 -1.15 -1.68 0.04 -1.26 -3.31 135.00 129.72 1vj6 s PRO 10 Ca 0.35 1.85 0.00 0.00 0.04 0.00 0.00 61.00 63.24 1vj6 s PRO 10 Cb -0.13 -3.36 0.00 0.00 0.04 0.00 0.00 34.50 31.05 1vj6 s PRO 10 CO 0.22 -0.34 0.00 0.41 0.04 0.00 0.00 177.00 177.33 1vj6 n GLY 11 N 3.33 0.58 3.71 0.56 0.00 -1.26 -4.98 105.19 107.13 1vj6 n GLY 11 Ca 0.10 -0.43 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.66 7.35 0.05 1.61 2.15 -1.21 -4.64 116.67 119.32 1vj6 s ASP 12 Ca 0.00 1.68 -0.12 0.00 0.43 0.00 0.00 52.55 54.55 1vj6 s ASP 12 Cb 0.00 -2.57 -0.06 0.00 -0.30 0.00 0.00 42.92 39.99 1vj6 s ASP 12 CO 0.00 -0.28 0.41 0.42 -0.17 0.00 0.00 175.17 175.55 1vj6 s THR 13 N 1.02 5.06 -0.11 1.71 -4.23 -1.26 -0.89 115.64 116.94 1vj6 s THR 13 Ca 0.52 0.62 -0.01 0.00 -1.18 0.00 0.00 61.69 61.64 1vj6 s THR 13 Cb -0.22 -3.67 0.03 0.00 1.34 0.00 0.00 72.50 69.98 1vj6 s THR 13 CO 0.28 0.40 -0.04 0.72 -0.54 0.00 0.00 174.62 175.44 1vj6 s PHE 14 N -1.28 1.18 -1.01 3.99 -0.71 -0.31 -5.00 117.98 114.84 1vj6 s PHE 14 Ca 0.30 -0.57 -0.16 0.00 -1.04 0.00 0.00 56.93 55.46 1vj6 s PHE 14 Cb -0.15 -1.07 0.17 0.00 -1.21 0.00 0.00 43.02 40.76 1vj6 s PHE 14 CO 0.16 -0.46 1.16 -1.21 -1.34 0.00 0.00 175.22 173.53 1vj6 s GLU 15 N 1.81 3.79 0.54 1.99 8.01 -1.26 -1.19 118.70 132.39 1vj6 s GLU 15 Ca 0.04 -2.21 -0.13 0.00 0.01 0.00 0.00 54.97 52.68 1vj6 s GLU 15 Cb -0.13 -4.86 -0.06 0.00 -4.31 0.00 0.00 34.13 24.77 1vj6 s GLU 15 CO -0.07 -1.66 0.97 0.08 0.01 0.00 0.00 175.26 174.59 1vj6 s VAL 16 N 1.69 4.64 -0.06 2.63 1.01 -0.23 -4.91 120.40 125.17 1vj6 s VAL 16 Ca 0.33 0.98 0.03 0.00 0.00 0.00 0.00 61.98 63.33 1vj6 s VAL 16 Cb -0.05 -3.79 0.00 0.00 0.00 0.00 0.00 36.38 32.54 1vj6 s VAL 16 CO -0.07 -0.85 -0.15 -1.83 0.00 0.00 0.00 175.10 172.20 1vj6 s GLU 17 N -4.50 1.82 0.11 2.72 -1.05 -1.26 -0.33 118.70 116.21 1vj6 s GLU 17 Ca 0.56 -0.54 0.06 0.00 -0.15 0.00 0.00 54.97 54.90 1vj6 s GLU 17 Cb -0.10 -1.53 -0.04 0.00 -0.44 0.00 0.00 34.13 32.02 1vj6 s GLU 17 CO 0.40 0.15 -0.14 -0.51 0.95 0.00 0.00 175.26 176.11 1vj6 s LEU 18 N 0.32 2.37 -0.28 1.83 1.43 0.62 -4.95 118.68 120.02 1vj6 s LEU 18 Ca -0.09 -0.76 0.01 0.00 -1.03 0.00 0.00 54.13 52.25 1vj6 s LEU 18 Cb -0.14 -0.56 0.05 0.00 0.03 0.00 0.00 46.19 45.58 1vj6 s LEU 18 CO 0.03 -0.12 -0.06 0.00 0.23 0.00 0.00 176.35 176.43 1vj6 s ALA 19 N -1.90 2.68 0.42 4.21 0.00 -1.26 -1.03 121.76 124.88 1vj6 s ALA 19 Ca 0.06 -1.76 -0.27 0.00 0.00 0.00 0.00 51.96 49.99 1vj6 s ALA 19 Cb -0.06 -1.75 -0.10 0.00 0.00 0.00 0.00 23.12 21.21 1vj6 s ALA 19 CO 0.03 -1.23 1.47 -1.59 0.00 0.00 0.00 175.76 174.44 1vj6 s LYS 20 N 1.17 3.89 -0.35 0.00 -2.85 -1.24 -4.80 119.74 115.55 1vj6 s LYS 20 Ca -0.07 2.53 -0.12 0.00 -1.00 0.00 0.00 55.97 57.30 1vj6 s LYS 20 Cb -0.20 -2.81 -0.00 0.00 -2.06 0.00 0.00 37.83 32.76 1vj6 s LYS 20 CO -0.03 -0.70 0.23 -0.08 0.10 0.00 0.00 175.35 174.87 1vj6 s THR 21 N -1.15 5.03 0.00 3.79 -1.32 0.07 -4.42 115.64 117.64 1vj6 s THR 21 Ca 0.57 -0.43 0.00 0.00 -1.21 0.00 0.00 61.69 60.62 1vj6 s THR 21 Cb -0.46 -3.65 0.00 0.00 -1.51 0.00 0.00 72.50 66.88 1vj6 s THR 21 CO 0.61 -0.08 0.00 0.47 -2.21 0.00 0.00 174.62 173.41 1vj6 n ASP 22 N 5.07 0.00 0.00 8.08 8.00 -1.26 -3.09 116.55 133.35 1vj6 n ASP 22 Ca -0.12 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.38 1vj6 n ASP 22 Cb 0.49 -0.65 0.00 0.00 -0.02 0.00 0.00 41.12 40.93 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 -1.12 -0.12 3.23 0.44 0.00 -1.26 -5.15 105.19 101.20 1vj6 n GLY 23 Ca 0.00 -0.33 0.03 0.00 0.00 0.00 0.00 46.02 45.72 1vj6 n GLY 23 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1vj6 s SER 24 N 0.00 -0.10 0.04 1.61 1.04 -1.18 -5.01 113.70 110.09 1vj6 s SER 24 Ca 0.00 0.14 -0.16 0.00 0.48 0.00 0.00 55.95 56.41 1vj6 s SER 24 Cb 0.00 1.11 -0.34 0.00 0.10 0.00 0.00 66.02 66.89 1vj6 s SER 24 CO 0.00 -0.02 1.03 -0.07 0.98 0.00 0.00 173.24 175.16 1vj6 h LEU 25 N 6.94 0.87 0.00 2.42 3.38 -1.92 0.24 115.31 127.24 1vj6 h LEU 25 Ca -0.14 -0.90 0.00 0.00 0.09 0.00 0.00 57.88 56.93 1vj6 h LEU 25 Cb 1.13 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1vj6 h LEU 25 CO 0.08 1.69 0.00 0.61 0.09 0.00 0.00 178.44 180.91 1vj6 n GLY 26 N 1.63 1.99 3.36 0.83 0.00 -1.26 -0.41 105.19 111.34 1vj6 n GLY 26 Ca -0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 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 2.94 -0.31 -0.61 -4.36 -1.26 -2.53 121.20 113.07 1vj6 s ILE 27 Ca 0.00 -0.71 -0.26 0.00 -0.26 0.00 0.00 60.65 59.42 1vj6 s ILE 27 Cb 0.00 -2.21 0.01 0.00 1.25 0.00 0.00 42.46 41.50 1vj6 s ILE 27 CO 0.00 0.54 0.90 -0.44 0.24 0.00 0.00 174.94 176.18 1vj6 s SER 28 N 0.24 6.78 -0.02 4.36 0.01 -0.96 -5.02 113.70 119.08 1vj6 s SER 28 Ca -0.10 0.84 -0.23 0.00 1.31 0.00 0.00 55.95 57.77 1vj6 s SER 28 Cb -0.16 -2.46 -0.05 0.00 0.21 0.00 0.00 66.02 63.57 1vj6 s SER 28 CO 0.06 -0.71 0.69 0.68 0.41 0.00 0.00 173.24 174.37 1vj6 s VAL 29 N 3.21 4.92 0.23 3.43 -7.23 -1.26 -0.33 120.40 123.38 1vj6 s VAL 29 Ca 0.38 1.44 0.06 0.00 -1.81 0.00 0.00 61.98 62.05 1vj6 s VAL 29 Cb -0.13 -4.03 -0.05 0.00 0.56 0.00 0.00 36.38 32.72 1vj6 s VAL 29 CO 0.13 0.33 -0.06 0.28 -0.31 0.00 0.00 175.10 175.47 1vj6 s THR 30 N 0.29 1.41 0.00 5.32 -1.32 -0.28 -4.83 115.64 116.24 1vj6 s THR 30 Ca 0.36 -2.10 0.00 0.00 -1.21 0.00 0.00 61.69 58.74 1vj6 s THR 30 Cb -0.19 -2.27 0.00 0.00 -1.51 0.00 0.00 72.50 68.54 1vj6 s THR 30 CO 0.19 -0.42 0.00 0.61 -2.21 0.00 0.00 174.62 172.79 1vj6 n GLY 31 N -0.45 0.98 0.00 6.08 0.00 -1.26 -0.95 105.19 109.59 1vj6 n GLY 31 Ca -0.06 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.48 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 0.24 -0.02 0.00 -0.90 -4.36 105.19 102.35 1vj6 n GLY 32 Ca 0.00 -1.83 0.16 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 0.00 -0.85 1.61 3.04 -0.86 -0.35 116.25 118.84 1vj6 h VAL 33 Ca 0.00 -0.06 0.10 0.00 -1.01 0.00 0.00 66.70 65.73 1vj6 h VAL 33 Cb 0.00 0.81 -0.06 0.00 -2.01 0.00 0.00 31.29 30.03 1vj6 h VAL 33 CO 0.00 0.00 0.55 -0.55 -1.01 0.00 0.00 177.57 176.56 1vj6 h ASN 34 N 0.00 0.74 -2.23 3.17 -1.07 -1.85 -3.23 115.58 111.11 1vj6 h ASN 34 Ca 0.00 0.02 -0.59 0.00 0.07 0.00 0.00 56.30 55.80 1vj6 h ASN 34 Cb 0.08 -0.13 -0.41 0.00 -2.07 0.00 0.00 38.32 35.79 1vj6 h ASN 34 CO 0.00 0.43 -0.79 0.41 0.07 0.00 0.00 177.43 177.55 1vj6 n THR 35 N -4.52 1.02 -0.66 6.14 -1.04 -0.14 -5.06 114.28 110.01 1vj6 n THR 35 Ca 0.15 -4.66 -0.27 0.00 -2.04 0.00 0.00 64.05 57.23 1vj6 n THR 35 Cb 0.33 -2.03 -0.04 0.00 -1.82 0.00 0.00 70.33 66.76 1vj6 n THR 35 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1vj6 n SER 36 N 1.28 0.44 -3.65 8.00 7.64 -1.22 -4.56 113.62 121.56 1vj6 n SER 36 Ca 0.26 0.42 -0.29 0.00 1.01 0.00 0.00 58.87 60.27 1vj6 n SER 36 Cb 0.45 -0.37 -0.14 0.00 -1.01 0.00 0.00 64.21 63.14 1vj6 n SER 36 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1vj6 s VAL 37 N 1.64 0.73 0.00 0.44 -7.23 -1.26 -5.01 120.40 109.71 1vj6 s VAL 37 Ca 0.45 -1.67 0.00 0.00 -1.81 0.00 0.00 61.98 58.95 1vj6 s VAL 37 Cb -0.62 -1.54 0.00 0.00 0.56 0.00 0.00 36.38 34.77 1vj6 s VAL 37 CO 0.32 -0.80 0.00 0.54 -0.31 0.00 0.00 175.10 174.85 1vj6 n ARG 38 N 4.41 0.00 -0.00 4.82 1.74 -1.26 -1.08 116.66 125.28 1vj6 n ARG 38 Ca 0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 1vj6 n ARG 38 Cb 0.39 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.83 1vj6 n ARG 38 CO 0.00 0.00 0.00 -2.39 -1.52 0.00 0.00 177.63 173.72 1vj6 n HIS 39 N 0.00 0.00 0.00 -1.55 1.44 -1.26 -5.05 115.22 108.80 1vj6 n HIS 39 Ca 0.00 -0.39 0.00 0.00 -2.01 0.00 0.00 57.72 55.32 1vj6 n HIS 39 Cb 0.00 -0.04 0.00 0.00 0.12 0.00 0.00 29.99 30.07 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 -0.40 0.47 0.98 -1.39 0.00 -0.24 -2.88 105.19 101.72 1vj6 n GLY 40 Ca 0.00 -0.68 -0.04 0.00 0.00 0.00 0.00 46.02 45.31 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 2.56 3.49 -0.02 0.00 -1.24 -0.32 105.19 109.66 1vj6 n GLY 41 Ca 0.00 -1.35 -0.24 0.00 0.00 0.00 0.00 46.02 44.42 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 -2.59 2.33 0.09 -0.61 1.10 -1.01 -2.12 121.20 118.38 1vj6 s ILE 42 Ca 0.07 -2.31 -0.03 0.00 -0.51 0.00 0.00 60.65 57.87 1vj6 s ILE 42 Cb -0.01 -2.43 -0.03 0.00 0.15 0.00 0.00 42.46 40.15 1vj6 s ILE 42 CO 0.05 -0.33 0.07 -0.31 -2.11 0.00 0.00 174.94 172.31 1vj6 s TYR 43 N -2.59 0.54 -0.04 3.50 1.51 -0.13 -0.31 117.35 119.83 1vj6 s TYR 43 Ca 0.31 -1.00 -0.21 0.00 -1.01 0.00 0.00 57.07 55.16 1vj6 s TYR 43 Cb -0.02 -0.32 -0.05 0.00 -0.11 0.00 0.00 41.96 41.47 1vj6 s TYR 43 CO 0.15 -0.49 0.62 0.08 -1.11 0.00 0.00 175.55 174.80 1vj6 s VAL 44 N -3.95 5.00 -0.17 0.71 1.01 -1.08 -1.12 120.40 120.80 1vj6 s VAL 44 Ca 0.13 1.28 -0.18 0.00 0.00 0.00 0.00 61.98 63.21 1vj6 s VAL 44 Cb 0.07 -3.96 -0.23 0.00 0.00 0.00 0.00 36.38 32.26 1vj6 s VAL 44 CO -0.06 0.34 0.35 0.50 0.00 0.00 0.00 175.10 176.23 1vj6 h LYS 45 N 6.23 0.10 -3.28 2.72 3.11 -0.98 -3.25 116.57 121.21 1vj6 h LYS 45 Ca -0.43 -0.17 -0.22 0.00 -2.81 0.00 0.00 60.65 57.02 1vj6 h LYS 45 Cb 1.20 0.06 -0.29 0.00 -1.00 0.00 0.00 32.23 32.19 1vj6 h LYS 45 CO 0.73 1.08 -0.57 0.00 -2.81 0.00 0.00 179.45 177.88 1vj6 s ALA 46 N -2.41 -0.33 -0.15 5.00 0.00 -1.24 -4.79 121.76 117.83 1vj6 s ALA 46 Ca -0.25 0.60 -0.16 0.00 0.00 0.00 0.00 51.96 52.15 1vj6 s ALA 46 Cb 0.05 -0.39 -0.04 0.00 0.00 0.00 0.00 23.12 22.74 1vj6 s ALA 46 CO 0.67 -0.13 0.40 0.42 0.00 0.00 0.00 175.76 177.12 1vj6 s ILE 47 N 0.74 5.23 0.04 0.00 -1.09 -1.26 -2.27 121.20 122.59 1vj6 s ILE 47 Ca -0.06 0.76 -0.27 0.00 -2.23 0.00 0.00 60.65 58.86 1vj6 s ILE 47 Cb -0.07 -3.74 -0.05 0.00 -1.58 0.00 0.00 42.46 37.02 1vj6 s ILE 47 CO -0.04 0.33 0.83 0.27 -1.23 0.00 0.00 174.94 175.10 1vj6 s ILE 48 N 0.74 4.73 -1.45 2.92 -4.36 -1.05 -4.96 121.20 117.77 1vj6 s ILE 48 Ca 0.21 1.76 -0.10 0.00 -0.26 0.00 0.00 60.65 62.27 1vj6 s ILE 48 Cb -0.14 -4.18 0.04 0.00 1.25 0.00 0.00 42.46 39.43 1vj6 s ILE 48 CO 0.07 0.31 2.42 -0.81 0.24 0.00 0.00 174.94 177.18 1vj6 n PRO 49 N 3.06 3.65 0.00 0.37 -0.04 -1.26 -4.33 135.00 136.45 1vj6 n PRO 49 Ca -0.00 -2.84 0.00 0.00 -0.04 0.00 0.00 63.50 60.61 1vj6 n PRO 49 Cb 0.50 -2.92 0.00 0.00 -0.04 0.00 0.00 33.50 31.04 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 3.92 0.00 0.00 0.54 2.85 -1.26 -5.15 118.16 119.06 1vj6 n LYS 50 Ca 0.60 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.86 1vj6 n LYS 50 Cb 0.30 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.68 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 1.03 0.04 2.58 0.00 -1.26 -4.95 105.19 102.63 1vj6 n GLY 51 Ca 0.00 -0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.96 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 1.83 -0.02 4.61 0.00 0.41 -4.23 120.51 120.11 1vj6 n ALA 52 Ca 0.00 -0.35 -0.12 0.00 0.00 0.00 0.00 53.44 52.97 1vj6 n ALA 52 Cb 0.00 0.30 -0.08 0.00 0.00 0.00 0.00 19.45 19.67 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 0.02 0.09 -0.61 0.00 0.00 -1.06 -2.08 119.26 115.62 1vj6 h ALA 53 Ca -0.18 -0.20 0.09 0.00 0.00 0.00 0.00 54.91 54.62 1vj6 h ALA 53 Cb 1.28 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.01 1vj6 h ALA 53 CO -0.02 -0.20 0.41 1.49 0.00 0.00 0.00 179.25 180.92 1vj6 h GLU 54 N -0.20 0.46 0.00 0.00 4.57 -1.82 -1.81 114.58 115.78 1vj6 h GLU 54 Ca 0.02 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1vj6 h GLU 54 Cb 0.40 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.88 1vj6 h GLU 54 CO 0.01 0.31 0.00 0.45 -1.18 0.00 0.00 179.01 178.59 1vj6 n SER 55 N -4.48 0.00 0.00 1.04 2.88 -0.82 -2.77 113.62 109.48 1vj6 n SER 55 Ca 0.10 0.04 0.00 0.00 -1.33 0.00 0.00 58.87 57.68 1vj6 n SER 55 Cb 0.33 -0.27 0.00 0.00 -0.75 0.00 0.00 64.21 63.51 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 -1.27 0.00 0.00 -3.46 2.03 -0.68 -5.01 116.55 108.15 1vj6 n ASP 56 Ca 0.08 0.29 0.00 0.00 0.52 0.00 0.00 54.79 55.67 1vj6 n ASP 56 Cb 0.12 -0.04 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 0.96 1.17 0.09 0.27 0.00 -1.12 -4.96 105.19 101.60 1vj6 n GLY 57 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 0.12 -6.46 1.61 3.08 -1.87 -3.46 114.38 107.40 1vj6 h ARG 58 Ca 0.00 -0.21 -0.53 0.00 0.07 0.00 0.00 59.98 59.31 1vj6 h ARG 58 Cb 0.00 0.08 0.02 0.00 0.08 0.00 0.00 29.97 30.15 1vj6 h ARG 58 CO 0.00 0.91 0.95 0.42 -1.07 0.00 0.00 179.97 181.18 1vj6 s ILE 59 N -2.63 3.11 0.34 2.04 1.01 -1.26 -5.02 121.20 118.79 1vj6 s ILE 59 Ca -0.06 0.60 0.05 0.00 0.00 0.00 0.00 60.65 61.24 1vj6 s ILE 59 Cb 0.08 -3.39 -0.03 0.00 0.01 0.00 0.00 42.46 39.13 1vj6 s ILE 59 CO 0.83 0.01 0.21 -2.28 0.00 0.00 0.00 174.94 173.71 1vj6 s HIS 60 N 2.35 1.71 -1.43 3.97 2.46 -1.26 -4.77 115.29 118.32 1vj6 s HIS 60 Ca 0.71 -1.51 -0.09 0.00 0.47 0.00 0.00 55.06 54.64 1vj6 s HIS 60 Cb -0.39 -0.85 -0.11 0.00 -0.13 0.00 0.00 32.58 31.11 1vj6 s HIS 60 CO 0.31 -0.66 3.02 0.36 -2.47 0.00 0.00 174.74 175.30 1vj6 n LYS 61 N -0.68 3.48 0.00 2.88 2.85 -1.26 -2.67 118.16 122.76 1vj6 n LYS 61 Ca 0.03 -2.05 0.00 0.00 -1.05 0.00 0.00 58.31 55.24 1vj6 n LYS 61 Cb 0.64 -2.70 0.00 0.00 -0.65 0.00 0.00 35.03 32.31 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 3.47 0.71 3.83 2.58 0.00 -1.23 -4.79 105.19 109.76 1vj6 n GLY 62 Ca 0.74 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.44 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 6.44 0.14 1.61 1.01 -1.09 -4.52 116.67 120.25 1vj6 s ASP 63 Ca 0.00 1.63 -0.25 0.00 0.71 0.00 0.00 52.55 54.64 1vj6 s ASP 63 Cb 0.00 -2.52 -0.07 0.00 1.01 0.00 0.00 42.92 41.34 1vj6 s ASP 63 CO 0.00 -0.72 0.77 -0.60 0.21 0.00 0.00 175.17 174.84 1vj6 s ARG 64 N -4.04 4.55 -0.25 8.23 3.00 -0.59 -2.62 118.95 127.22 1vj6 s ARG 64 Ca 0.60 1.13 -0.03 0.00 -1.00 0.00 0.00 55.73 56.43 1vj6 s ARG 64 Cb -0.11 -3.28 0.02 0.00 0.00 0.00 0.00 34.95 31.57 1vj6 s ARG 64 CO 0.32 0.51 -0.03 0.54 0.00 0.00 0.00 175.30 176.64 1vj6 s VAL 65 N -0.89 3.15 -0.20 7.11 0.11 0.57 -0.97 120.40 129.29 1vj6 s VAL 65 Ca 0.36 -0.90 0.17 0.00 -2.93 0.00 0.00 61.98 58.68 1vj6 s VAL 65 Cb -0.22 -2.59 -0.24 0.00 -1.53 0.00 0.00 36.38 31.80 1vj6 s VAL 65 CO 0.25 0.20 0.05 0.00 -3.33 0.00 0.00 175.10 172.28 1vj6 n LEU 66 N 4.72 0.16 -3.78 2.54 -0.00 0.19 -2.41 117.00 118.41 1vj6 n LEU 66 Ca -0.16 -0.01 -0.12 0.00 -0.00 0.00 0.00 56.01 55.72 1vj6 n LEU 66 Cb 0.48 0.41 -0.08 0.00 -0.00 0.00 0.00 43.42 44.23 1vj6 n LEU 66 CO 0.28 0.50 -0.01 0.00 -0.00 0.00 0.00 177.39 178.16 1vj6 s ALA 67 N -2.47 -0.62 -0.07 1.47 0.00 -1.06 -1.15 121.76 117.86 1vj6 s ALA 67 Ca -0.11 0.01 -0.01 0.00 0.00 0.00 0.00 51.96 51.85 1vj6 s ALA 67 Cb 0.06 0.25 0.03 0.00 0.00 0.00 0.00 23.12 23.45 1vj6 s ALA 67 CO 0.79 -0.36 0.00 0.08 0.00 0.00 0.00 175.76 176.27 1vj6 s VAL 68 N -2.22 0.35 -1.43 0.00 1.01 0.18 -0.58 120.40 117.71 1vj6 s VAL 68 Ca -0.07 0.13 -0.05 0.00 0.00 0.00 0.00 61.98 61.99 1vj6 s VAL 68 Cb -0.02 -0.51 0.02 0.00 0.00 0.00 0.00 36.38 35.87 1vj6 s VAL 68 CO -0.01 0.25 0.41 0.59 0.00 0.00 0.00 175.10 176.34 1vj6 n ASN 69 N 5.13 -5.05 -0.05 3.32 3.02 -0.26 -1.28 115.26 120.09 1vj6 n ASN 69 Ca -0.07 -0.21 -0.01 0.00 -0.03 0.00 0.00 54.58 54.26 1vj6 n ASN 69 Cb 0.50 -4.15 -0.00 0.00 -0.61 0.00 0.00 39.78 35.52 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 -1.25 0.46 3.23 7.41 0.00 -1.26 -4.99 105.19 108.79 1vj6 n GLY 70 Ca -0.11 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.88 4.38 0.29 1.61 1.01 -0.41 -5.06 120.40 120.35 1vj6 s VAL 71 Ca 0.00 -1.72 -0.30 0.00 0.00 0.00 0.00 61.98 59.97 1vj6 s VAL 71 Cb 0.00 -3.86 -0.11 0.00 0.00 0.00 0.00 36.38 32.40 1vj6 s VAL 71 CO 0.00 -0.78 1.59 -0.94 0.00 0.00 0.00 175.10 174.97 1vj6 s SER 72 N 2.80 6.38 -0.00 3.32 1.04 -1.26 -0.65 113.70 125.33 1vj6 s SER 72 Ca 0.05 2.94 -0.25 0.00 0.48 0.00 0.00 55.95 59.17 1vj6 s SER 72 Cb -0.27 -2.63 -0.19 0.00 0.10 0.00 0.00 66.02 63.03 1vj6 s SER 72 CO 0.00 -0.90 1.32 -0.07 0.98 0.00 0.00 173.24 174.56 1vj6 h LEU 73 N 4.83 0.07 2.03 2.42 3.38 -1.41 -3.47 115.31 123.16 1vj6 h LEU 73 Ca -0.47 -0.45 -0.13 0.00 0.09 0.00 0.00 57.88 56.92 1vj6 h LEU 73 Cb 1.22 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.93 1vj6 h LEU 73 CO 0.79 0.50 -0.16 -1.84 0.09 0.00 0.00 178.44 177.82 1vj6 n GLU 74 N -4.82 -2.26 0.00 1.13 0.28 -0.98 -2.05 120.64 111.94 1vj6 n GLU 74 Ca -0.08 0.34 0.00 0.00 -0.16 0.00 0.00 57.16 57.26 1vj6 n GLU 74 Cb 0.25 -4.80 0.00 0.00 1.43 0.00 0.00 31.44 28.32 1vj6 n GLU 74 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1vj6 n GLY 75 N -0.55 1.24 3.83 -1.84 0.00 0.56 -4.83 105.19 103.61 1vj6 n GLY 75 Ca -0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.24 3.43 0.26 4.61 0.00 -0.87 -4.77 121.76 123.19 1vj6 s ALA 76 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 51.96 52.02 1vj6 s ALA 76 Cb 0.00 -2.73 0.00 0.00 0.00 0.00 0.00 23.12 20.39 1vj6 s ALA 76 CO 0.00 0.36 0.00 0.25 0.00 0.00 0.00 175.76 176.37 1vj6 n THR 77 N 0.46 0.00 0.04 0.00 -2.24 -1.26 -0.27 114.28 111.01 1vj6 n THR 77 Ca -0.01 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.64 1vj6 n THR 77 Cb 0.52 -1.26 -0.07 0.00 -2.10 0.00 0.00 70.33 67.41 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 -0.20 -0.02 -0.05 4.78 2.76 -1.90 0.32 115.15 120.84 1vj6 h HIS 78 Ca 0.00 -0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1vj6 h HIS 78 Cb 0.00 0.01 -0.00 0.00 1.55 0.00 0.00 27.41 28.97 1vj6 h HIS 78 CO 0.00 0.06 0.02 0.87 -1.30 0.00 0.00 177.93 177.58 1vj6 h LYS 79 N -0.10 0.07 -0.68 5.26 1.57 -1.96 -1.89 116.57 118.83 1vj6 h LYS 79 Ca -0.00 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 1vj6 h LYS 79 Cb 0.09 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.36 1vj6 h LYS 79 CO 0.00 0.21 0.28 0.37 -0.57 0.00 0.00 179.45 179.74 1vj6 h GLN 80 N -0.08 0.99 -0.64 3.15 -0.00 -1.92 -0.74 115.11 115.87 1vj6 h GLN 80 Ca 0.02 -0.16 -0.06 0.00 -0.00 0.00 0.00 58.65 58.44 1vj6 h GLN 80 Cb 0.16 -0.17 -0.03 0.00 0.00 0.00 0.00 27.48 27.45 1vj6 h GLN 80 CO -0.00 0.80 0.16 0.00 0.00 0.00 0.00 178.83 179.80 1vj6 h ALA 81 N 1.33 0.84 0.34 3.38 0.00 -0.91 -1.70 119.26 122.53 1vj6 h ALA 81 Ca 0.23 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1vj6 h ALA 81 Cb 0.18 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1vj6 h ALA 81 CO -0.02 0.54 -0.23 0.28 0.00 0.00 0.00 179.25 179.83 1vj6 h VAL 82 N 0.93 0.52 -0.85 0.00 2.07 -0.87 -2.23 116.25 115.82 1vj6 h VAL 82 Ca 0.20 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.91 1vj6 h VAL 82 Cb 0.35 0.52 -0.11 0.00 -1.52 0.00 0.00 31.29 30.53 1vj6 h VAL 82 CO 0.00 0.00 0.38 -0.33 0.02 0.00 0.00 177.57 177.64 1vj6 h GLU 83 N -0.55 0.45 0.00 1.57 5.08 -1.08 0.42 114.58 120.46 1vj6 h GLU 83 Ca -0.03 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.24 1vj6 h GLU 83 Cb 0.47 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1vj6 h GLU 83 CO 0.02 0.29 -0.31 1.15 -1.00 0.00 0.00 179.01 179.17 1vj6 h THR 84 N 0.46 0.97 0.10 1.13 2.02 -1.06 0.03 112.91 116.54 1vj6 h THR 84 Ca 0.50 -1.16 -0.35 0.00 0.77 0.00 0.00 66.41 66.17 1vj6 h THR 84 Cb 0.86 1.67 -0.02 0.00 -1.74 0.00 0.00 68.15 68.92 1vj6 h THR 84 CO -0.46 0.30 -1.96 0.18 0.37 0.00 0.00 175.52 173.94 1vj6 n LEU 85 N -3.81 2.56 -0.03 2.58 4.77 -0.72 -4.75 117.00 117.60 1vj6 n LEU 85 Ca -0.01 0.21 -0.09 0.00 -0.03 0.00 0.00 56.01 56.08 1vj6 n LEU 85 Cb 0.39 -1.08 -0.08 0.00 -2.33 0.00 0.00 43.42 40.32 1vj6 n LEU 85 CO 0.36 0.79 0.29 -0.09 -1.33 0.00 0.00 177.39 177.40 1vj6 h ARG 86 N -0.09 -0.05 -1.40 3.23 1.12 -0.11 -3.37 114.38 113.72 1vj6 h ARG 86 Ca -0.44 0.00 -0.23 0.00 -1.11 0.00 0.00 59.98 58.20 1vj6 h ARG 86 Cb 1.93 0.01 -0.11 0.00 -0.01 0.00 0.00 29.97 31.79 1vj6 h ARG 86 CO 0.03 0.52 0.30 -1.71 -3.11 0.00 0.00 179.97 176.00 1vj6 n ASN 87 N -4.74 5.18 -2.66 -3.80 5.15 -0.01 -4.80 115.26 109.58 1vj6 n ASN 87 Ca -0.07 -2.81 -0.06 0.00 -0.60 0.00 0.00 54.58 51.04 1vj6 n ASN 87 Cb 0.29 -0.91 0.03 0.00 -0.53 0.00 0.00 39.78 38.65 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 0.34 0.00 0.00 -0.44 -2.24 -1.26 -4.99 114.28 105.68 1vj6 n THR 88 Ca 0.23 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1vj6 n THR 88 Cb 0.70 -1.20 0.00 0.00 -2.10 0.00 0.00 70.33 67.72 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 3.06 1.86 2.00 3.38 0.00 -1.26 -5.04 105.19 109.19 1vj6 n GLY 89 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.60 1.61 7.27 -1.26 -5.06 117.38 117.34 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 -2.00 4.42 -0.23 1.69 1.01 -1.26 -3.68 120.40 120.35 1vj6 s VAL 91 Ca 0.00 1.82 0.02 0.00 0.00 0.00 0.00 61.98 63.82 1vj6 s VAL 91 Cb 0.00 -4.17 0.05 0.00 0.00 0.00 0.00 36.38 32.26 1vj6 s VAL 91 CO 0.00 0.19 -0.11 -0.69 0.00 0.00 0.00 175.10 174.49 1vj6 s VAL 92 N 0.70 1.88 -0.35 2.92 1.01 -0.20 -4.93 120.40 121.44 1vj6 s VAL 92 Ca 0.53 -1.30 -0.29 0.00 0.00 0.00 0.00 61.98 60.92 1vj6 s VAL 92 Cb -0.25 -1.98 0.01 0.00 0.00 0.00 0.00 36.38 34.16 1vj6 s VAL 92 CO 0.30 0.08 1.29 -1.00 0.00 0.00 0.00 175.10 175.77 1vj6 s HIS 93 N 1.26 2.67 -0.38 5.22 3.76 -1.26 -0.27 115.29 126.29 1vj6 s HIS 93 Ca -0.05 0.83 -0.18 0.00 -0.15 0.00 0.00 55.06 55.52 1vj6 s HIS 93 Cb -0.18 -4.06 0.01 0.00 1.11 0.00 0.00 32.58 29.46 1vj6 s HIS 93 CO -0.07 -1.64 0.49 -0.51 -0.85 0.00 0.00 174.74 172.15 1vj6 s LEU 94 N 4.58 4.53 -0.59 0.89 1.43 0.55 -1.10 118.68 128.97 1vj6 s LEU 94 Ca 0.55 -0.29 -0.22 0.00 -1.03 0.00 0.00 54.13 53.15 1vj6 s LEU 94 Cb -0.14 -2.51 0.06 0.00 0.03 0.00 0.00 46.19 43.63 1vj6 s LEU 94 CO 0.26 -0.53 0.87 -0.22 0.23 0.00 0.00 176.35 176.96 1vj6 s LEU 95 N 2.32 4.52 0.08 1.79 0.20 0.25 -1.07 118.68 126.77 1vj6 s LEU 95 Ca 0.16 -0.83 0.01 0.00 0.69 0.00 0.00 54.13 54.17 1vj6 s LEU 95 Cb -0.16 -2.53 -0.04 0.00 -0.43 0.00 0.00 46.19 43.03 1vj6 s LEU 95 CO 0.14 -1.24 0.17 -0.76 -0.29 0.00 0.00 176.35 174.37 1vj6 s LEU 96 N 3.61 4.15 -0.03 -0.68 1.43 -0.33 -0.64 118.68 126.19 1vj6 s LEU 96 Ca 0.22 0.15 0.04 0.00 -1.03 0.00 0.00 54.13 53.51 1vj6 s LEU 96 Cb -0.17 -2.77 -0.00 0.00 0.03 0.00 0.00 46.19 43.28 1vj6 s LEU 96 CO 0.13 0.16 -0.16 -0.70 0.23 0.00 0.00 176.35 176.01 1vj6 s GLU 97 N -2.56 1.54 0.16 1.70 2.12 -0.14 -1.16 118.70 120.36 1vj6 s GLU 97 Ca 0.33 -0.55 -0.32 0.00 0.36 0.00 0.00 54.97 54.79 1vj6 s GLU 97 Cb -0.12 -1.38 -0.11 0.00 0.26 0.00 0.00 34.13 32.78 1vj6 s GLU 97 CO 0.26 0.24 1.72 0.21 -0.54 0.00 0.00 175.26 177.15 1vj6 s LYS 98 N -0.02 4.15 -0.95 4.30 2.47 -0.07 -1.54 119.74 128.08 1vj6 s LYS 98 Ca -0.02 2.53 -0.01 0.00 -1.56 0.00 0.00 55.97 56.92 1vj6 s LYS 98 Cb -0.10 -3.28 0.31 0.00 -1.46 0.00 0.00 37.83 33.30 1vj6 s LYS 98 CO 0.01 -0.75 1.45 0.41 0.16 0.00 0.00 175.35 176.63 1vj6 n GLY 99 N 4.01 5.52 3.59 5.54 0.00 -1.26 -4.07 105.19 118.52 1vj6 n GLY 99 Ca 0.16 -2.67 -0.24 0.00 0.00 0.00 0.00 46.02 43.27 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 -3.37 2.05 -0.03 1.61 2.00 -1.26 -4.78 119.66 115.88 1vj6 s GLN 100 Ca 0.37 -1.64 -0.27 0.00 -2.00 0.00 0.00 55.36 51.82 1vj6 s GLN 100 Cb 0.14 -1.97 -0.03 0.00 0.80 0.00 0.00 33.01 31.95 1vj6 s GLN 100 CO -0.02 0.26 0.86 0.54 -0.50 0.00 0.00 175.29 176.44 1vj6 s VAL 101 N -2.45 4.94 -2.00 1.34 0.11 -1.26 -4.79 120.40 116.30 1vj6 s VAL 101 Ca 0.32 1.79 0.11 0.00 -2.93 0.00 0.00 61.98 61.27 1vj6 s VAL 101 Cb -0.04 -4.20 0.30 0.00 -1.53 0.00 0.00 36.38 30.92 1vj6 s VAL 101 CO 0.18 0.19 1.08 -2.65 -3.33 0.00 0.00 175.10 170.57