#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 0.63 -0.16 0.03 1.02 -1.26 -4.92 119.74 115.08 1vj6 s LYS 9 Ca 0.00 -0.12 -0.29 0.00 0.02 0.00 0.00 55.97 55.58 1vj6 s LYS 9 Cb 0.00 -0.65 -0.04 0.00 -0.52 0.00 0.00 37.83 36.62 1vj6 s LYS 9 CO 0.00 -0.01 1.71 -2.14 -0.92 0.00 0.00 175.35 173.99 1vj6 s PRO 10 N 0.54 3.84 -0.26 -1.68 0.02 -1.26 -3.97 135.00 132.24 1vj6 s PRO 10 Ca -0.07 1.89 -0.08 0.00 0.02 0.00 0.00 61.00 62.76 1vj6 s PRO 10 Cb -0.10 -4.07 0.01 0.00 0.02 0.00 0.00 34.50 30.36 1vj6 s PRO 10 CO -0.00 -1.25 0.34 0.41 -0.33 0.00 0.00 177.00 176.17 1vj6 n GLY 11 N 4.64 -1.01 2.99 0.52 0.00 -1.11 -5.00 105.19 106.21 1vj6 n GLY 11 Ca 0.20 0.60 -0.17 0.00 0.00 0.00 0.00 46.02 46.64 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 -1.99 0.84 -0.05 1.61 2.15 -1.25 -4.95 116.67 113.03 1vj6 s ASP 12 Ca 0.12 -0.13 -0.09 0.00 0.43 0.00 0.00 52.55 52.88 1vj6 s ASP 12 Cb -0.03 -0.09 -0.05 0.00 -0.30 0.00 0.00 42.92 42.45 1vj6 s ASP 12 CO 0.43 0.09 0.26 0.42 -0.17 0.00 0.00 175.17 176.19 1vj6 s THR 13 N -0.17 5.31 -0.03 1.71 -4.23 -1.26 -0.31 115.64 116.66 1vj6 s THR 13 Ca 0.03 0.39 0.05 0.00 -1.18 0.00 0.00 61.69 60.98 1vj6 s THR 13 Cb -0.03 -3.54 -0.01 0.00 1.34 0.00 0.00 72.50 70.26 1vj6 s THR 13 CO -0.00 0.54 -0.18 0.72 -0.54 0.00 0.00 174.62 175.15 1vj6 s PHE 14 N -1.12 1.70 -0.76 3.99 -0.71 -0.15 -4.99 117.98 115.94 1vj6 s PHE 14 Ca 0.21 -0.40 0.00 0.00 -1.04 0.00 0.00 56.93 55.70 1vj6 s PHE 14 Cb -0.14 -1.12 0.19 0.00 -1.21 0.00 0.00 43.02 40.74 1vj6 s PHE 14 CO 0.10 -0.09 0.59 -1.21 -1.34 0.00 0.00 175.22 173.27 1vj6 s GLU 15 N -0.22 2.81 0.29 1.99 2.02 -1.26 -0.91 118.70 123.42 1vj6 s GLU 15 Ca 0.02 -3.12 -0.28 0.00 0.02 0.00 0.00 54.97 51.62 1vj6 s GLU 15 Cb -0.09 -3.71 -0.09 0.00 0.10 0.00 0.00 34.13 30.33 1vj6 s GLU 15 CO 0.01 -1.24 0.94 0.08 0.02 0.00 0.00 175.26 175.06 1vj6 s VAL 16 N -1.07 4.16 -0.16 2.63 1.01 -0.60 -4.86 120.40 121.52 1vj6 s VAL 16 Ca 0.24 1.92 0.02 0.00 0.00 0.00 0.00 61.98 64.16 1vj6 s VAL 16 Cb -0.10 -4.14 0.01 0.00 0.00 0.00 0.00 36.38 32.15 1vj6 s VAL 16 CO -0.11 0.29 -0.20 -1.83 0.00 0.00 0.00 175.10 173.25 1vj6 s GLU 17 N -1.70 3.04 0.31 2.72 -1.05 -1.26 0.65 118.70 121.41 1vj6 s GLU 17 Ca 0.46 -0.83 0.11 0.00 -0.15 0.00 0.00 54.97 54.56 1vj6 s GLU 17 Cb -0.22 -2.51 -0.06 0.00 -0.44 0.00 0.00 34.13 30.91 1vj6 s GLU 17 CO 0.27 -0.07 -0.14 -0.51 0.95 0.00 0.00 175.26 175.76 1vj6 s LEU 18 N 0.96 2.70 -0.17 1.83 1.43 0.31 -4.95 118.68 120.80 1vj6 s LEU 18 Ca -0.03 -1.07 -0.01 0.00 -1.03 0.00 0.00 54.13 51.99 1vj6 s LEU 18 Cb -0.15 -1.12 -0.01 0.00 0.03 0.00 0.00 46.19 44.95 1vj6 s LEU 18 CO -0.05 -0.07 -0.11 0.00 0.23 0.00 0.00 176.35 176.36 1vj6 s ALA 19 N -2.54 2.65 0.31 4.21 0.00 -1.26 -0.37 121.76 124.77 1vj6 s ALA 19 Ca 0.31 -1.03 -0.29 0.00 0.00 0.00 0.00 51.96 50.94 1vj6 s ALA 19 Cb -0.02 -1.39 -0.11 0.00 0.00 0.00 0.00 23.12 21.60 1vj6 s ALA 19 CO 0.16 -0.08 1.53 -1.59 0.00 0.00 0.00 175.76 175.78 1vj6 s LYS 20 N 0.89 4.15 -0.76 0.00 -2.85 -1.10 -4.78 119.74 115.28 1vj6 s LYS 20 Ca -0.03 2.52 -0.20 0.00 -1.00 0.00 0.00 55.97 57.27 1vj6 s LYS 20 Cb -0.15 -3.02 0.11 0.00 -2.06 0.00 0.00 37.83 32.71 1vj6 s LYS 20 CO -0.00 -0.56 0.96 -0.08 0.10 0.00 0.00 175.35 175.78 1vj6 s THR 21 N -0.36 4.66 0.00 3.79 -1.32 0.32 -4.37 115.64 118.36 1vj6 s THR 21 Ca 0.59 -1.10 0.00 0.00 -1.21 0.00 0.00 61.69 59.97 1vj6 s THR 21 Cb -0.46 -4.67 0.00 0.00 -1.51 0.00 0.00 72.50 65.86 1vj6 s THR 21 CO 0.52 -1.39 0.00 0.47 -2.21 0.00 0.00 174.62 172.01 1vj6 n ASP 22 N 6.75 0.00 0.00 8.08 8.00 -1.26 -3.89 116.55 134.23 1vj6 n ASP 22 Ca 0.07 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.57 1vj6 n ASP 22 Cb 0.46 -0.64 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 -1.33 -0.96 0.00 0.44 0.00 -1.26 -5.13 105.19 96.95 1vj6 n GLY 23 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 0.00 0.00 0.01 1.61 2.88 -1.25 -4.99 113.62 111.88 1vj6 n SER 24 Ca 0.00 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.35 1vj6 n SER 24 Cb 0.00 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.36 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 0.78 0.00 2.46 3.38 -1.89 0.93 115.31 120.97 1vj6 h LEU 25 Ca 0.00 -0.71 0.00 0.00 0.09 0.00 0.00 57.88 57.26 1vj6 h LEU 25 Cb 0.00 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.51 1vj6 h LEU 25 CO 0.00 1.39 0.00 0.61 0.09 0.00 0.00 178.44 180.53 1vj6 n GLY 26 N 0.97 0.97 3.22 0.83 0.00 -1.26 -0.17 105.19 109.76 1vj6 n GLY 26 Ca -0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.77 2.15 -0.38 -0.61 -4.36 -1.26 -2.64 121.20 112.33 1vj6 s ILE 27 Ca 0.00 -0.98 -0.27 0.00 -0.26 0.00 0.00 60.65 59.14 1vj6 s ILE 27 Cb 0.00 -1.83 0.02 0.00 1.25 0.00 0.00 42.46 41.89 1vj6 s ILE 27 CO 0.00 0.55 1.00 -0.44 0.24 0.00 0.00 174.94 176.30 1vj6 s SER 28 N 0.43 6.73 -0.06 4.36 0.01 -0.88 -5.02 113.70 119.27 1vj6 s SER 28 Ca -0.16 0.67 -0.25 0.00 1.31 0.00 0.00 55.95 57.52 1vj6 s SER 28 Cb -0.17 -2.50 -0.03 0.00 0.21 0.00 0.00 66.02 63.52 1vj6 s SER 28 CO 0.07 -0.94 0.75 0.68 0.41 0.00 0.00 173.24 174.21 1vj6 s VAL 29 N 3.71 5.01 0.27 3.43 -7.23 -1.26 -0.32 120.40 124.00 1vj6 s VAL 29 Ca 0.42 1.56 0.04 0.00 -1.81 0.00 0.00 61.98 62.19 1vj6 s VAL 29 Cb -0.11 -4.09 -0.06 0.00 0.56 0.00 0.00 36.38 32.68 1vj6 s VAL 29 CO 0.20 0.23 -0.01 0.28 -0.31 0.00 0.00 175.10 175.50 1vj6 s THR 30 N 0.88 1.25 0.00 5.32 -1.32 -0.20 -4.81 115.64 116.76 1vj6 s THR 30 Ca 0.40 -2.05 0.00 0.00 -1.21 0.00 0.00 61.69 58.83 1vj6 s THR 30 Cb -0.18 -2.48 0.00 0.00 -1.51 0.00 0.00 72.50 68.33 1vj6 s THR 30 CO 0.20 -0.24 0.00 0.61 -2.21 0.00 0.00 174.62 172.98 1vj6 n GLY 31 N -0.53 -0.92 0.00 6.08 0.00 -1.26 -1.34 105.19 107.22 1vj6 n GLY 31 Ca -0.04 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.78 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 3.33 0.00 -0.02 0.00 -1.22 -4.34 105.19 102.94 1vj6 n GLY 32 Ca 0.00 -1.79 0.07 0.00 0.00 0.00 0.00 46.02 44.30 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 -0.90 0.39 0.16 1.61 3.14 0.20 -2.73 118.33 120.20 1vj6 n VAL 33 Ca 0.00 0.10 0.02 0.00 -2.96 0.00 0.00 64.34 61.49 1vj6 n VAL 33 Cb 0.00 -0.87 0.24 0.00 -1.06 0.00 0.00 33.84 32.15 1vj6 n VAL 33 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 1vj6 h ASN 34 N 0.00 0.00 -0.72 6.55 -1.07 -1.90 -3.45 115.58 114.99 1vj6 h ASN 34 Ca 0.00 0.00 -0.64 0.00 0.07 0.00 0.00 56.30 55.73 1vj6 h ASN 34 Cb 0.08 0.00 -0.10 0.00 -2.07 0.00 0.00 38.32 36.23 1vj6 h ASN 34 CO 0.00 0.51 -0.47 0.42 0.07 0.00 0.00 177.43 177.96 1vj6 s THR 35 N -3.64 1.53 -0.43 6.14 -4.23 -1.10 -5.08 115.64 108.82 1vj6 s THR 35 Ca -0.01 -1.83 -0.28 0.00 -1.18 0.00 0.00 61.69 58.39 1vj6 s THR 35 Cb 0.12 -2.36 0.03 0.00 1.34 0.00 0.00 72.50 71.62 1vj6 s THR 35 CO 0.73 0.00 1.04 -0.55 -0.54 0.00 0.00 174.62 175.30 1vj6 s SER 36 N -3.96 6.65 -0.01 3.99 0.15 -1.26 -4.84 113.70 114.41 1vj6 s SER 36 Ca 0.21 0.48 -0.04 0.00 0.70 0.00 0.00 55.95 57.30 1vj6 s SER 36 Cb 0.02 -2.51 -0.01 0.00 -1.71 0.00 0.00 66.02 61.81 1vj6 s SER 36 CO 0.12 -1.09 -0.07 0.55 1.20 0.00 0.00 173.24 173.94 1vj6 n VAL 37 N 6.47 0.61 0.00 4.45 3.14 -1.26 -5.06 118.33 126.68 1vj6 n VAL 37 Ca 0.10 0.26 0.00 0.00 -2.96 0.00 0.00 64.34 61.73 1vj6 n VAL 37 Cb 0.48 -1.56 0.00 0.00 -1.06 0.00 0.00 33.84 31.71 1vj6 n VAL 37 CO 0.00 0.00 0.00 -2.11 -6.46 0.00 0.00 176.83 168.26 1vj6 n ARG 38 N -3.15 0.00 -3.97 1.45 1.85 -1.26 -5.09 116.66 106.48 1vj6 n ARG 38 Ca -0.03 0.00 -0.09 0.00 -1.00 0.00 0.00 57.85 56.73 1vj6 n ARG 38 Cb 0.11 0.00 -0.10 0.00 -1.05 0.00 0.00 32.46 31.42 1vj6 n ARG 38 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 1vj6 s HIS 39 N -1.75 0.27 -0.98 2.89 3.76 -1.26 -5.07 115.29 113.15 1vj6 s HIS 39 Ca 0.00 -0.62 -0.08 0.00 -0.15 0.00 0.00 55.06 54.21 1vj6 s HIS 39 Cb 0.00 -0.20 -0.14 0.00 1.11 0.00 0.00 32.58 33.35 1vj6 s HIS 39 CO 0.00 -0.33 3.18 0.41 -0.85 0.00 0.00 174.74 177.15 1vj6 n GLY 40 N 0.80 3.83 0.00 -2.22 0.00 -1.26 -4.74 105.19 101.60 1vj6 n GLY 40 Ca -0.19 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.40 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 3.02 2.31 3.33 -0.02 0.00 -1.26 -0.48 105.19 112.09 1vj6 n GLY 41 Ca 0.64 -2.13 -0.21 0.00 0.00 0.00 0.00 46.02 44.32 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 0.84 1.81 0.05 -0.61 1.10 -1.02 -3.40 121.20 119.96 1vj6 s ILE 42 Ca 0.00 -1.95 -0.00 0.00 -0.51 0.00 0.00 60.65 58.18 1vj6 s ILE 42 Cb 0.00 -1.86 -0.03 0.00 0.15 0.00 0.00 42.46 40.71 1vj6 s ILE 42 CO 0.00 -0.35 -0.04 -0.31 -2.11 0.00 0.00 174.94 172.13 1vj6 s TYR 43 N -2.17 0.51 0.20 3.50 1.51 -0.45 -0.57 117.35 119.88 1vj6 s TYR 43 Ca 0.17 -0.85 -0.30 0.00 -1.01 0.00 0.00 57.07 55.07 1vj6 s TYR 43 Cb -0.05 -0.35 -0.08 0.00 -0.11 0.00 0.00 41.96 41.37 1vj6 s TYR 43 CO 0.07 -0.27 0.99 0.08 -1.11 0.00 0.00 175.55 175.30 1vj6 s VAL 44 N -3.00 4.08 -0.07 0.71 1.01 -1.09 -1.03 120.40 121.02 1vj6 s VAL 44 Ca -0.00 1.94 -0.03 0.00 0.00 0.00 0.00 61.98 63.89 1vj6 s VAL 44 Cb 0.01 -4.23 -0.01 0.00 0.00 0.00 0.00 36.38 32.15 1vj6 s VAL 44 CO -0.06 0.40 -0.06 0.50 0.00 0.00 0.00 175.10 175.88 1vj6 h LYS 45 N 4.65 0.00 -4.99 2.72 3.11 -0.99 -3.39 116.57 117.68 1vj6 h LYS 45 Ca -0.45 0.00 -0.49 0.00 -2.81 0.00 0.00 60.65 56.91 1vj6 h LYS 45 Cb 1.21 0.00 -0.31 0.00 -1.00 0.00 0.00 32.23 32.13 1vj6 h LYS 45 CO 0.70 0.00 -0.81 0.00 -2.81 0.00 0.00 179.45 176.53 1vj6 s ALA 46 N -2.82 1.16 -0.27 5.00 0.00 -1.24 -4.67 121.76 118.91 1vj6 s ALA 46 Ca -0.05 -0.52 -0.20 0.00 0.00 0.00 0.00 51.96 51.19 1vj6 s ALA 46 Cb 0.01 -0.38 -0.01 0.00 0.00 0.00 0.00 23.12 22.73 1vj6 s ALA 46 CO 0.07 0.22 0.63 0.42 0.00 0.00 0.00 175.76 177.10 1vj6 s ILE 47 N 0.02 4.96 0.59 0.00 -1.09 -1.26 -2.08 121.20 122.34 1vj6 s ILE 47 Ca -0.01 1.03 -0.13 0.00 -2.23 0.00 0.00 60.65 59.31 1vj6 s ILE 47 Cb -0.09 -3.96 -0.05 0.00 -1.58 0.00 0.00 42.46 36.78 1vj6 s ILE 47 CO 0.01 -0.04 1.02 0.27 -1.23 0.00 0.00 174.94 174.97 1vj6 s ILE 48 N 2.55 4.54 -0.91 2.92 -4.36 -1.08 -4.90 121.20 119.96 1vj6 s ILE 48 Ca 0.26 0.98 -0.24 0.00 -0.26 0.00 0.00 60.65 61.38 1vj6 s ILE 48 Cb -0.15 -3.75 -0.05 0.00 1.25 0.00 0.00 42.46 39.76 1vj6 s ILE 48 CO 0.10 -0.93 1.94 -2.84 0.24 0.00 0.00 174.94 173.45 1vj6 s PRO 49 N -4.72 2.57 -0.44 0.37 0.02 -1.26 -4.22 135.00 127.31 1vj6 s PRO 49 Ca 0.57 -0.32 -0.01 0.00 0.02 0.00 0.00 61.00 61.26 1vj6 s PRO 49 Cb -0.11 -5.07 -0.02 0.00 0.02 0.00 0.00 34.50 29.32 1vj6 s PRO 49 CO 0.45 -3.38 0.40 1.63 -0.33 0.00 0.00 177.00 175.77 1vj6 n LYS 50 N 8.84 -0.87 0.00 5.54 5.02 -1.26 -5.06 118.16 130.38 1vj6 n LYS 50 Ca 0.40 0.73 0.00 0.00 -2.02 0.00 0.00 58.31 57.43 1vj6 n LYS 50 Cb 0.47 -3.63 0.00 0.00 -0.02 0.00 0.00 35.03 31.85 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 -1.37 0.49 0.00 0.72 0.00 -1.26 -4.96 105.19 98.81 1vj6 n GLY 51 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 1.98 -0.03 4.61 0.00 0.76 -4.74 120.51 120.09 1vj6 n ALA 52 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 1vj6 n ALA 52 Cb 0.00 0.38 -0.10 0.00 0.00 0.00 0.00 19.45 19.73 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 0.04 -1.00 0.00 0.00 -0.87 -2.98 119.26 114.45 1vj6 h ALA 53 Ca 0.00 -0.34 0.19 0.00 0.00 0.00 0.00 54.91 54.76 1vj6 h ALA 53 Cb 0.79 -0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.47 1vj6 h ALA 53 CO 0.00 -0.09 0.61 1.49 0.00 0.00 0.00 179.25 181.27 1vj6 h GLU 54 N -0.49 0.71 0.00 0.00 4.57 -1.83 -1.82 114.58 115.72 1vj6 h GLU 54 Ca -0.00 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 1vj6 h GLU 54 Cb 0.71 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 29.14 1vj6 h GLU 54 CO 0.02 0.47 0.00 0.43 -1.18 0.00 0.00 179.01 178.75 1vj6 n SER 55 N -4.74 0.00 0.00 1.04 7.64 -1.13 -3.63 113.62 112.79 1vj6 n SER 55 Ca 0.23 -0.15 0.00 0.00 1.01 0.00 0.00 58.87 59.97 1vj6 n SER 55 Cb 0.59 -0.14 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 1vj6 n SER 55 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1vj6 n ASP 56 N -1.14 0.00 0.00 6.43 2.03 -0.69 -5.04 116.55 118.14 1vj6 n ASP 56 Ca 0.08 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.39 1vj6 n ASP 56 Cb 0.07 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.47 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 1.20 1.47 0.12 0.27 0.00 -1.24 -4.98 105.19 102.03 1vj6 n GLY 57 Ca 0.00 -0.11 0.01 0.00 0.00 0.00 0.00 46.02 45.92 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 -6.57 1.61 -0.00 -1.91 -3.45 114.38 104.05 1vj6 h ARG 58 Ca 0.00 0.00 -0.53 0.00 -0.50 0.00 0.00 59.98 58.95 1vj6 h ARG 58 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 29.97 29.99 1vj6 h ARG 58 CO 0.00 0.54 0.68 0.42 0.00 0.00 0.00 179.97 181.61 1vj6 s ILE 59 N -2.92 3.39 0.36 2.04 1.01 -1.26 -5.03 121.20 118.79 1vj6 s ILE 59 Ca 0.02 1.04 0.06 0.00 0.00 0.00 0.00 60.65 61.77 1vj6 s ILE 59 Cb 0.08 -3.66 -0.03 0.00 0.01 0.00 0.00 42.46 38.86 1vj6 s ILE 59 CO 0.77 0.10 0.23 -2.28 0.00 0.00 0.00 174.94 173.76 1vj6 s HIS 60 N 0.81 1.77 -0.19 3.97 2.46 -1.26 -4.90 115.29 117.95 1vj6 s HIS 60 Ca 0.61 -1.55 -0.05 0.00 0.47 0.00 0.00 55.06 54.55 1vj6 s HIS 60 Cb -0.36 -0.87 -0.11 0.00 -0.13 0.00 0.00 32.58 31.12 1vj6 s HIS 60 CO 0.32 -0.69 3.16 0.36 -2.47 0.00 0.00 174.74 175.43 1vj6 n LYS 61 N -0.74 2.10 -0.35 2.88 2.85 -1.26 -3.38 118.16 120.27 1vj6 n LYS 61 Ca 0.03 -1.50 0.00 0.00 -1.05 0.00 0.00 58.31 55.79 1vj6 n LYS 61 Cb 0.63 -2.00 0.00 0.00 -0.65 0.00 0.00 35.03 33.02 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 1.74 0.73 4.04 2.58 0.00 -1.26 -4.81 105.19 108.20 1vj6 n GLY 62 Ca 0.43 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.25 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 4.94 -0.01 1.61 1.01 -1.22 -4.58 116.67 118.42 1vj6 s ASP 63 Ca 0.00 -0.88 0.04 0.00 0.71 0.00 0.00 52.55 52.41 1vj6 s ASP 63 Cb 0.00 0.44 -0.03 0.00 1.01 0.00 0.00 42.92 44.34 1vj6 s ASP 63 CO 0.00 -1.49 -0.12 -0.60 0.21 0.00 0.00 175.17 173.17 1vj6 s ARG 64 N -4.76 2.46 -0.08 8.23 3.52 -0.55 -2.65 118.95 125.12 1vj6 s ARG 64 Ca 0.63 -0.75 0.04 0.00 -0.13 0.00 0.00 55.73 55.53 1vj6 s ARG 64 Cb -0.05 -2.41 -0.01 0.00 -1.56 0.00 0.00 34.95 30.92 1vj6 s ARG 64 CO 0.40 0.60 -0.21 0.54 -0.81 0.00 0.00 175.30 175.83 1vj6 s VAL 65 N -0.87 2.43 -0.02 7.11 0.11 0.26 -0.16 120.40 129.25 1vj6 s VAL 65 Ca 0.14 -0.92 0.02 0.00 -2.93 0.00 0.00 61.98 58.30 1vj6 s VAL 65 Cb -0.11 -1.94 -0.03 0.00 -1.53 0.00 0.00 36.38 32.78 1vj6 s VAL 65 CO 0.04 0.56 0.01 0.00 -3.33 0.00 0.00 175.10 172.38 1vj6 n LEU 66 N 3.08 0.14 -3.75 2.54 -0.00 0.11 -2.44 117.00 116.68 1vj6 n LEU 66 Ca -0.18 -0.00 -0.11 0.00 -0.00 0.00 0.00 56.01 55.73 1vj6 n LEU 66 Cb 0.52 0.05 -0.07 0.00 -0.00 0.00 0.00 43.42 43.93 1vj6 n LEU 66 CO 0.27 0.08 0.03 0.00 -0.00 0.00 0.00 177.39 177.77 1vj6 s ALA 67 N -2.06 -0.62 -0.05 1.47 0.00 -1.03 -0.94 121.76 118.53 1vj6 s ALA 67 Ca -0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 51.96 51.78 1vj6 s ALA 67 Cb 0.01 0.44 0.03 0.00 0.00 0.00 0.00 23.12 23.60 1vj6 s ALA 67 CO 0.10 -0.49 0.02 0.08 0.00 0.00 0.00 175.76 175.48 1vj6 s VAL 68 N -3.14 0.12 -1.30 0.00 1.01 -0.32 -0.17 120.40 116.60 1vj6 s VAL 68 Ca -0.01 0.23 -0.06 0.00 0.00 0.00 0.00 61.98 62.14 1vj6 s VAL 68 Cb 0.01 -0.30 0.04 0.00 0.00 0.00 0.00 36.38 36.13 1vj6 s VAL 68 CO -0.07 0.19 0.38 0.59 0.00 0.00 0.00 175.10 176.19 1vj6 n ASN 69 N 4.87 -4.37 -0.29 3.32 3.02 -0.58 -1.02 115.26 120.21 1vj6 n ASN 69 Ca -0.12 -0.21 -0.03 0.00 -0.03 0.00 0.00 54.58 54.19 1vj6 n ASN 69 Cb 0.50 -3.61 -0.01 0.00 -0.61 0.00 0.00 39.78 36.05 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 -1.16 0.49 3.02 7.41 0.00 -1.26 -5.02 105.19 108.68 1vj6 n GLY 70 Ca -0.08 -0.87 -0.31 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.14 2.27 0.43 1.61 1.01 -0.19 -5.10 120.40 118.29 1vj6 s VAL 71 Ca 0.00 -2.34 -0.25 0.00 0.00 0.00 0.00 61.98 59.39 1vj6 s VAL 71 Cb 0.00 -2.68 -0.10 0.00 0.00 0.00 0.00 36.38 33.61 1vj6 s VAL 71 CO 0.00 -0.60 1.29 -1.54 0.00 0.00 0.00 175.10 174.25 1vj6 n SER 72 N 4.26 2.63 0.05 3.32 3.41 -1.26 -1.17 113.62 124.86 1vj6 n SER 72 Ca 0.04 1.11 -0.09 0.00 -0.26 0.00 0.00 58.87 59.67 1vj6 n SER 72 Cb 0.42 -1.51 -0.06 0.00 -0.26 0.00 0.00 64.21 62.80 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 2.10 -0.20 -1.50 1.04 3.38 -1.36 -3.48 115.31 115.30 1vj6 h LEU 73 Ca -0.48 -0.27 -0.58 0.00 0.09 0.00 0.00 57.88 56.63 1vj6 h LEU 73 Cb 1.29 0.05 -0.24 0.00 0.09 0.00 0.00 40.66 41.85 1vj6 h LEU 73 CO 0.60 0.36 -0.90 -1.84 0.09 0.00 0.00 178.44 176.75 1vj6 n GLU 74 N -4.92 -1.88 0.00 1.13 0.28 -1.21 -2.73 120.64 111.31 1vj6 n GLU 74 Ca -0.06 0.24 0.00 0.00 -0.16 0.00 0.00 57.16 57.17 1vj6 n GLU 74 Cb 0.23 -4.53 0.00 0.00 1.43 0.00 0.00 31.44 28.57 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 -1.67 0.87 3.90 -1.84 0.00 0.37 -5.00 105.19 101.81 1vj6 n GLY 75 Ca -0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.23 3.93 0.15 4.61 0.00 -1.10 -4.86 121.76 123.25 1vj6 s ALA 76 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 51.96 51.25 1vj6 s ALA 76 Cb 0.00 -1.93 0.00 0.00 0.00 0.00 0.00 23.12 21.19 1vj6 s ALA 76 CO 0.00 0.71 0.00 0.25 0.00 0.00 0.00 175.76 176.72 1vj6 n THR 77 N 1.17 0.00 0.00 0.00 -2.24 -1.26 -0.63 114.28 111.33 1vj6 n THR 77 Ca -0.13 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.53 1vj6 n THR 77 Cb 0.53 -1.15 -0.09 0.00 -2.10 0.00 0.00 70.33 67.52 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 -0.01 0.01 -0.18 4.78 2.76 -1.89 -0.96 115.15 119.65 1vj6 h HIS 78 Ca 0.00 -0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.14 1vj6 h HIS 78 Cb 0.00 -0.00 -0.01 0.00 1.55 0.00 0.00 27.41 28.95 1vj6 h HIS 78 CO 0.00 0.33 -0.01 0.87 -1.30 0.00 0.00 177.93 177.82 1vj6 h LYS 79 N -0.31 0.33 -0.12 5.26 1.57 -1.96 -2.52 116.57 118.83 1vj6 h LYS 79 Ca 0.00 -0.11 -0.12 0.00 -1.87 0.00 0.00 60.65 58.55 1vj6 h LYS 79 Cb 0.32 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 1vj6 h LYS 79 CO 0.00 0.55 -0.45 0.37 -0.57 0.00 0.00 179.45 179.35 1vj6 h GLN 80 N 0.07 0.29 -0.59 3.15 4.15 -1.92 -1.86 115.11 118.39 1vj6 h GLN 80 Ca 0.05 -0.15 -0.07 0.00 0.77 0.00 0.00 58.65 59.25 1vj6 h GLN 80 Cb 0.41 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.08 1vj6 h GLN 80 CO 0.01 0.69 0.09 0.00 -1.93 0.00 0.00 178.83 177.68 1vj6 h ALA 81 N 1.29 1.03 0.09 3.38 0.00 -1.19 -1.73 119.26 122.13 1vj6 h ALA 81 Ca 0.02 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.68 1vj6 h ALA 81 Cb 0.89 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1vj6 h ALA 81 CO 0.07 0.62 -0.14 0.28 0.00 0.00 0.00 179.25 180.08 1vj6 h VAL 82 N 0.91 0.67 -0.81 0.00 2.07 -1.16 -2.10 116.25 115.82 1vj6 h VAL 82 Ca 0.18 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.90 1vj6 h VAL 82 Cb 0.41 0.67 -0.13 0.00 -1.52 0.00 0.00 31.29 30.73 1vj6 h VAL 82 CO 0.01 0.00 0.20 -0.33 0.02 0.00 0.00 177.57 177.47 1vj6 h GLU 83 N -0.29 0.23 0.00 1.57 4.39 -1.21 0.32 114.58 119.59 1vj6 h GLU 83 Ca 0.02 -0.01 -0.11 0.00 0.34 0.00 0.00 59.36 59.60 1vj6 h GLU 83 Cb 0.30 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.88 1vj6 h GLU 83 CO -0.07 0.15 -0.51 1.15 -1.16 0.00 0.00 179.01 178.57 1vj6 h THR 84 N 0.24 1.11 0.02 1.13 2.02 -0.85 -0.27 112.91 116.32 1vj6 h THR 84 Ca 0.49 -1.92 -0.26 0.00 0.77 0.00 0.00 66.41 65.48 1vj6 h THR 84 Cb 0.91 2.11 -0.03 0.00 -1.74 0.00 0.00 68.15 69.40 1vj6 h THR 84 CO -0.59 0.50 -1.44 0.18 0.37 0.00 0.00 175.52 174.54 1vj6 n LEU 85 N -3.57 2.01 -0.03 2.58 4.77 -0.83 -4.70 117.00 117.23 1vj6 n LEU 85 Ca -0.00 0.38 -0.15 0.00 -0.03 0.00 0.00 56.01 56.20 1vj6 n LEU 85 Cb 0.60 -0.99 -0.12 0.00 -2.33 0.00 0.00 43.42 40.57 1vj6 n LEU 85 CO 0.39 0.40 0.37 -0.09 -1.33 0.00 0.00 177.39 177.13 1vj6 h ARG 86 N -0.80 0.12 -1.08 3.23 1.12 -0.42 -3.36 114.38 113.19 1vj6 h ARG 86 Ca -0.38 -0.15 -0.23 0.00 -1.11 0.00 0.00 59.98 58.12 1vj6 h ARG 86 Cb 1.45 0.05 -0.13 0.00 -0.01 0.00 0.00 29.97 31.33 1vj6 h ARG 86 CO -0.16 0.96 0.29 -1.71 -3.11 0.00 0.00 179.97 176.24 1vj6 n ASN 87 N -4.52 3.74 -2.11 -3.80 2.85 -0.11 -4.75 115.26 106.57 1vj6 n ASN 87 Ca -0.10 -2.72 0.00 0.00 -0.11 0.00 0.00 54.58 51.65 1vj6 n ASN 87 Cb 0.52 -0.70 0.00 0.00 1.24 0.00 0.00 39.78 40.83 1vj6 n ASN 87 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 1vj6 n THR 88 N -0.10 0.00 0.00 -0.44 -2.24 -1.26 -4.99 114.28 105.26 1vj6 n THR 88 Ca 0.25 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.03 1vj6 n THR 88 Cb 0.93 -1.85 0.00 0.00 -2.10 0.00 0.00 70.33 67.32 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 1.61 0.49 3.38 0.00 -1.26 -5.03 105.19 109.38 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 -2.35 1.61 7.27 -1.26 -5.00 117.38 117.65 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 -0.75 -0.03 0.00 2.41 0.00 0.00 30.24 31.87 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 3.83 -0.32 1.69 1.01 -1.26 -2.72 120.40 120.63 1vj6 s VAL 91 Ca 0.00 1.31 0.00 0.00 0.00 0.00 0.00 61.98 63.29 1vj6 s VAL 91 Cb 0.00 -3.84 0.10 0.00 0.00 0.00 0.00 36.38 32.64 1vj6 s VAL 91 CO 0.00 0.10 0.09 -0.69 0.00 0.00 0.00 175.10 174.60 1vj6 s VAL 92 N 1.10 1.14 -0.75 2.92 1.01 0.51 -4.92 120.40 121.40 1vj6 s VAL 92 Ca 0.60 -1.59 -0.26 0.00 0.00 0.00 0.00 61.98 60.73 1vj6 s VAL 92 Cb -0.31 -1.86 0.02 0.00 0.00 0.00 0.00 36.38 34.23 1vj6 s VAL 92 CO 0.29 -0.67 1.41 -2.28 0.00 0.00 0.00 175.10 173.86 1vj6 s HIS 93 N 1.47 2.19 -0.39 5.22 2.46 -1.26 -0.53 115.29 124.45 1vj6 s HIS 93 Ca 0.10 0.02 -0.25 0.00 0.47 0.00 0.00 55.06 55.40 1vj6 s HIS 93 Cb -0.18 -4.53 0.02 0.00 -0.13 0.00 0.00 32.58 27.76 1vj6 s HIS 93 CO -0.22 -2.09 0.91 -0.51 -2.47 0.00 0.00 174.74 170.35 1vj6 s LEU 94 N 6.33 4.01 -0.71 8.88 1.43 0.21 -1.52 118.68 137.31 1vj6 s LEU 94 Ca 0.43 0.42 -0.22 0.00 -1.03 0.00 0.00 54.13 53.73 1vj6 s LEU 94 Cb -0.08 -3.21 0.08 0.00 0.03 0.00 0.00 46.19 43.01 1vj6 s LEU 94 CO 0.13 -0.89 1.02 -0.22 0.23 0.00 0.00 176.35 176.61 1vj6 s LEU 95 N 3.50 4.37 0.03 1.79 0.20 0.76 -1.55 118.68 127.79 1vj6 s LEU 95 Ca 0.37 -1.11 -0.01 0.00 0.69 0.00 0.00 54.13 54.07 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 0.21 -1.42 0.17 -0.76 -0.29 0.00 0.00 176.35 174.26 1vj6 s LEU 96 N 4.01 4.25 -0.08 -0.68 1.43 -0.08 -0.72 118.68 126.81 1vj6 s LEU 96 Ca 0.25 0.26 0.04 0.00 -1.03 0.00 0.00 54.13 53.65 1vj6 s LEU 96 Cb -0.14 -2.70 -0.01 0.00 0.03 0.00 0.00 46.19 43.37 1vj6 s LEU 96 CO 0.07 0.22 -0.23 -0.70 0.23 0.00 0.00 176.35 175.94 1vj6 s GLU 97 N -2.19 2.83 0.28 1.70 2.12 0.77 -0.97 118.70 123.24 1vj6 s GLU 97 Ca 0.30 -0.86 -0.29 0.00 0.36 0.00 0.00 54.97 54.48 1vj6 s GLU 97 Cb -0.13 -2.28 -0.10 0.00 0.26 0.00 0.00 34.13 31.89 1vj6 s GLU 97 CO 0.22 0.30 1.10 0.21 -0.54 0.00 0.00 175.26 176.55 1vj6 s LYS 98 N 0.05 4.64 0.00 4.30 2.47 0.58 -1.48 119.74 130.30 1vj6 s LYS 98 Ca -0.09 1.81 0.00 0.00 -1.56 0.00 0.00 55.97 56.13 1vj6 s LYS 98 Cb -0.15 -3.19 0.00 0.00 -1.46 0.00 0.00 37.83 33.03 1vj6 s LYS 98 CO 0.06 0.20 0.45 0.41 0.16 0.00 0.00 175.35 176.63 1vj6 n GLY 99 N 1.21 -2.94 0.07 5.54 0.00 -1.26 -3.83 105.19 103.97 1vj6 n GLY 99 Ca -0.01 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1vj6 n GLY 99 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vj6 n GLN 100 N -0.47 0.00 0.00 1.61 10.64 -1.26 -2.77 117.38 125.13 1vj6 n GLN 100 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 1vj6 n GLN 100 Cb 0.00 -0.05 0.00 0.00 -0.86 0.00 0.00 30.24 29.33 1vj6 n GLN 100 CO 0.00 0.00 0.00 1.55 -1.83 0.00 0.00 177.06 176.78 1vj6 n VAL 101 N -1.53 0.00 0.83 -0.39 3.14 -1.26 -4.16 118.33 114.95 1vj6 n VAL 101 Ca 0.00 0.00 0.07 0.00 -2.96 0.00 0.00 64.34 61.45 1vj6 n VAL 101 Cb 0.00 0.00 0.39 0.00 -1.06 0.00 0.00 33.84 33.17 1vj6 n VAL 101 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72