#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 1.39 0.03 0.03 -0.14 -1.26 -4.86 119.74 114.92 1vj6 s LYS 9 Ca 0.00 -1.42 -0.30 0.00 -1.36 0.00 0.00 55.97 52.89 1vj6 s LYS 9 Cb 0.00 -1.68 -0.06 0.00 -1.68 0.00 0.00 37.83 34.42 1vj6 s LYS 9 CO 0.00 0.37 1.37 -1.25 -0.76 0.00 0.00 175.35 175.08 1vj6 s PRO 10 N -2.49 4.31 -0.31 -1.68 0.04 -1.26 -2.49 135.00 131.12 1vj6 s PRO 10 Ca 0.16 1.96 0.00 0.00 0.04 0.00 0.00 61.00 63.16 1vj6 s PRO 10 Cb -0.08 -3.49 0.00 0.00 0.04 0.00 0.00 34.50 30.97 1vj6 s PRO 10 CO 0.08 -0.51 0.00 0.41 0.04 0.00 0.00 177.00 177.01 1vj6 n GLY 11 N 3.56 0.61 3.55 0.56 0.00 -1.26 -4.96 105.19 107.25 1vj6 n GLY 11 Ca 0.12 -0.85 -0.42 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.88 6.55 0.10 1.61 -1.08 -1.04 -4.97 116.67 114.96 1vj6 s ASP 12 Ca 0.00 -1.62 -0.30 0.00 -0.52 0.00 0.00 52.55 50.11 1vj6 s ASP 12 Cb 0.00 -2.55 -0.06 0.00 -1.46 0.00 0.00 42.92 38.85 1vj6 s ASP 12 CO 0.00 -1.42 1.12 0.42 0.52 0.00 0.00 175.17 175.80 1vj6 s THR 13 N 4.63 4.12 -0.08 1.71 -4.23 -1.26 -4.33 115.64 116.20 1vj6 s THR 13 Ca 0.45 1.64 0.04 0.00 -1.18 0.00 0.00 61.69 62.64 1vj6 s THR 13 Cb -0.00 -4.05 -0.01 0.00 1.34 0.00 0.00 72.50 69.78 1vj6 s THR 13 CO -0.08 0.19 -0.19 0.72 -0.54 0.00 0.00 174.62 174.72 1vj6 s PHE 14 N 0.50 2.62 -0.74 3.99 -0.71 -0.51 -4.95 117.98 118.18 1vj6 s PHE 14 Ca 0.54 -0.60 0.04 0.00 -1.04 0.00 0.00 56.93 55.86 1vj6 s PHE 14 Cb -0.28 -1.69 0.28 0.00 -1.21 0.00 0.00 43.02 40.12 1vj6 s PHE 14 CO 0.31 -0.14 0.96 0.39 -1.34 0.00 0.00 175.22 175.41 1vj6 n GLU 15 N 3.01 3.13 -2.42 1.99 1.02 -1.25 -0.63 120.64 125.49 1vj6 n GLU 15 Ca -0.18 -4.68 -0.43 0.00 -0.02 0.00 0.00 57.16 51.86 1vj6 n GLU 15 Cb 0.52 -2.32 -0.02 0.00 -0.02 0.00 0.00 31.44 29.60 1vj6 n GLU 15 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1vj6 s VAL 16 N -2.85 4.06 -0.27 2.62 1.01 -0.09 -4.70 120.40 120.18 1vj6 s VAL 16 Ca 0.39 1.15 -0.10 0.00 0.00 0.00 0.00 61.98 63.42 1vj6 s VAL 16 Cb 0.15 -4.22 -0.05 0.00 0.00 0.00 0.00 36.38 32.26 1vj6 s VAL 16 CO -0.00 -0.63 0.17 -1.83 0.00 0.00 0.00 175.10 172.81 1vj6 s GLU 17 N 4.47 3.93 0.32 2.72 1.03 -1.26 0.30 118.70 130.22 1vj6 s GLU 17 Ca 0.57 -0.33 0.03 0.00 0.03 0.00 0.00 54.97 55.27 1vj6 s GLU 17 Cb -0.15 -3.60 -0.04 0.00 -0.80 0.00 0.00 34.13 29.55 1vj6 s GLU 17 CO 0.27 -0.14 0.14 -0.51 -1.33 0.00 0.00 175.26 173.69 1vj6 s LEU 18 N 1.63 1.79 -0.16 1.83 1.43 -0.07 -4.98 118.68 120.14 1vj6 s LEU 18 Ca 0.07 -1.55 0.00 0.00 -1.03 0.00 0.00 54.13 51.62 1vj6 s LEU 18 Cb -0.16 0.06 -0.00 0.00 0.03 0.00 0.00 46.19 46.12 1vj6 s LEU 18 CO 0.09 -0.85 -0.15 0.00 0.23 0.00 0.00 176.35 175.67 1vj6 s ALA 19 N -3.50 2.52 0.35 4.21 0.00 -1.26 -1.21 121.76 122.86 1vj6 s ALA 19 Ca 0.34 -1.04 -0.26 0.00 0.00 0.00 0.00 51.96 51.00 1vj6 s ALA 19 Cb 0.05 -1.24 -0.09 0.00 0.00 0.00 0.00 23.12 21.84 1vj6 s ALA 19 CO 0.16 -0.03 1.04 -1.59 0.00 0.00 0.00 175.76 175.35 1vj6 s LYS 20 N 0.81 4.39 -0.99 0.00 0.00 -1.01 -4.75 119.74 118.19 1vj6 s LYS 20 Ca -0.05 1.56 -0.17 0.00 0.00 0.00 0.00 55.97 57.32 1vj6 s LYS 20 Cb -0.15 -2.79 0.16 0.00 0.00 0.00 0.00 37.83 35.04 1vj6 s LYS 20 CO 0.00 0.05 1.16 -0.08 0.00 0.00 0.00 175.35 176.48 1vj6 s THR 21 N -1.49 4.95 0.00 3.79 -1.32 0.33 -4.37 115.64 117.53 1vj6 s THR 21 Ca 0.52 -2.01 0.00 0.00 -1.21 0.00 0.00 61.69 59.00 1vj6 s THR 21 Cb -0.24 -4.77 0.00 0.00 -1.51 0.00 0.00 72.50 65.98 1vj6 s THR 21 CO 0.31 -1.47 0.00 0.47 -2.21 0.00 0.00 174.62 171.72 1vj6 n ASP 22 N 5.89 -3.35 0.00 8.08 9.92 -1.26 -3.71 116.55 132.12 1vj6 n ASP 22 Ca 0.26 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.52 1vj6 n ASP 22 Cb 0.47 -2.11 0.00 0.00 -0.64 0.00 0.00 41.12 38.84 1vj6 n ASP 22 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1vj6 n GLY 23 N -0.98 0.72 0.00 0.44 0.00 -1.26 -5.14 105.19 98.97 1vj6 n GLY 23 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.06 1.61 2.88 -1.24 -4.97 113.62 111.83 1vj6 n SER 24 Ca 0.00 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.41 1vj6 n SER 24 Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 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 0.49 0.00 2.46 3.38 -1.92 0.95 115.31 120.67 1vj6 h LEU 25 Ca 0.00 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1vj6 h LEU 25 Cb 0.00 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.61 1vj6 h LEU 25 CO 0.00 0.89 0.00 0.61 0.09 0.00 0.00 178.44 180.03 1vj6 n GLY 26 N 0.24 0.99 3.08 0.83 0.00 -1.26 0.14 105.19 109.21 1vj6 n GLY 26 Ca -0.06 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.89 1.24 -0.23 -0.61 -4.36 -1.26 -1.99 121.20 112.10 1vj6 s ILE 27 Ca 0.00 -0.59 -0.24 0.00 -0.26 0.00 0.00 60.65 59.55 1vj6 s ILE 27 Cb 0.00 -1.08 -0.01 0.00 1.25 0.00 0.00 42.46 42.62 1vj6 s ILE 27 CO 0.00 0.37 0.82 -0.44 0.24 0.00 0.00 174.94 175.93 1vj6 s SER 28 N 0.21 6.84 0.15 4.36 0.01 -0.54 -5.02 113.70 119.71 1vj6 s SER 28 Ca -0.06 1.04 -0.19 0.00 1.31 0.00 0.00 55.95 58.04 1vj6 s SER 28 Cb -0.12 -2.43 -0.07 0.00 0.21 0.00 0.00 66.02 63.60 1vj6 s SER 28 CO 0.02 -0.50 0.65 0.68 0.41 0.00 0.00 173.24 174.50 1vj6 s VAL 29 N 2.74 4.65 0.22 3.43 -7.23 -1.26 -0.66 120.40 122.30 1vj6 s VAL 29 Ca 0.35 1.24 -0.03 0.00 -1.81 0.00 0.00 61.98 61.73 1vj6 s VAL 29 Cb -0.15 -3.89 -0.03 0.00 0.56 0.00 0.00 36.38 32.86 1vj6 s VAL 29 CO 0.08 0.38 0.22 0.28 -0.31 0.00 0.00 175.10 175.75 1vj6 s THR 30 N -1.31 0.00 0.00 5.32 -1.32 -0.60 -4.76 115.64 112.97 1vj6 s THR 30 Ca 0.36 -1.86 0.00 0.00 -1.21 0.00 0.00 61.69 58.98 1vj6 s THR 30 Cb -0.18 -2.44 0.00 0.00 -1.51 0.00 0.00 72.50 68.37 1vj6 s THR 30 CO 0.21 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.23 1vj6 n GLY 31 N -0.32 0.71 0.00 6.08 0.00 -1.26 -1.18 105.19 109.23 1vj6 n GLY 31 Ca 0.01 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.90 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 1.33 0.33 -0.02 0.00 -1.26 -4.11 105.19 101.46 1vj6 n GLY 32 Ca 0.00 -1.78 0.22 0.00 0.00 0.00 0.00 46.02 44.46 1vj6 n GLY 32 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1vj6 h VAL 33 N 0.00 0.32 0.00 1.61 2.07 -1.42 -1.39 116.25 117.44 1vj6 h VAL 33 Ca 0.00 -0.11 -0.05 0.00 0.82 0.00 0.00 66.70 67.35 1vj6 h VAL 33 Cb 0.00 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 29.73 1vj6 h VAL 33 CO 0.00 0.06 -0.26 -0.55 0.02 0.00 0.00 177.57 176.84 1vj6 h ASN 34 N 0.33 0.00 0.72 0.57 -1.07 -1.83 -2.86 115.58 111.44 1vj6 h ASN 34 Ca 0.70 0.00 -0.26 0.00 0.07 0.00 0.00 56.30 56.81 1vj6 h ASN 34 Cb 1.55 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.79 1vj6 h ASN 34 CO -0.60 0.26 -1.22 0.74 0.07 0.00 0.00 177.43 176.68 1vj6 h THR 35 N 0.00 1.51 -0.59 6.14 2.02 -1.40 -3.49 112.91 117.09 1vj6 h THR 35 Ca -0.00 -3.14 0.00 0.00 0.77 0.00 0.00 66.41 64.04 1vj6 h THR 35 Cb 0.61 2.88 0.00 0.00 -1.74 0.00 0.00 68.15 69.90 1vj6 h THR 35 CO 0.03 0.90 0.00 -0.24 0.37 0.00 0.00 175.52 176.58 1vj6 n SER 36 N -3.45 -0.40 0.00 4.18 2.88 -1.08 -5.06 113.62 110.70 1vj6 n SER 36 Ca -0.07 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.47 1vj6 n SER 36 Cb 1.00 -0.20 0.00 0.00 -0.75 0.00 0.00 64.21 64.26 1vj6 n SER 36 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1vj6 n VAL 37 N -0.02 0.00 -2.66 2.46 0.24 -1.26 -5.02 118.33 112.06 1vj6 n VAL 37 Ca 0.00 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 61.87 1vj6 n VAL 37 Cb 0.00 -0.01 0.00 0.00 -1.47 0.00 0.00 33.84 32.36 1vj6 n VAL 37 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1vj6 n ARG 38 N 0.00 3.25 0.00 7.34 1.74 -1.26 -4.74 116.66 122.99 1vj6 n ARG 38 Ca 0.00 -3.44 0.00 0.00 -0.77 0.00 0.00 57.85 53.64 1vj6 n ARG 38 Cb 0.00 -3.33 0.00 0.00 -1.02 0.00 0.00 32.46 28.11 1vj6 n ARG 38 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 1vj6 n HIS 39 N 7.30 0.00 0.00 -1.55 -0.00 -1.26 -4.63 115.22 115.08 1vj6 n HIS 39 Ca 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.17 1vj6 n HIS 39 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.43 1vj6 n HIS 39 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1vj6 n GLY 40 N 0.00 3.22 6.88 1.57 0.00 -1.26 -4.37 105.19 111.23 1vj6 n GLY 40 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.78 3.16 -0.02 0.00 -0.75 -4.68 105.19 101.12 1vj6 n GLY 41 Ca 0.00 -1.31 -0.08 0.00 0.00 0.00 0.00 46.02 44.63 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 -0.02 0.17 0.31 -0.61 1.10 -0.96 -4.22 121.20 116.96 1vj6 s ILE 42 Ca 0.00 -1.54 0.06 0.00 -0.51 0.00 0.00 60.65 58.66 1vj6 s ILE 42 Cb 0.00 -1.53 -0.06 0.00 0.15 0.00 0.00 42.46 41.02 1vj6 s ILE 42 CO 0.00 -0.76 -0.02 -0.31 -2.11 0.00 0.00 174.94 171.74 1vj6 s TYR 43 N -3.91 2.03 0.20 3.50 1.51 -0.32 -0.52 117.35 119.84 1vj6 s TYR 43 Ca 0.09 -0.76 -0.24 0.00 -1.01 0.00 0.00 57.07 55.14 1vj6 s TYR 43 Cb 0.06 -1.24 -0.08 0.00 -0.11 0.00 0.00 41.96 40.59 1vj6 s TYR 43 CO -0.08 0.23 0.79 0.08 -1.11 0.00 0.00 175.55 175.46 1vj6 s VAL 44 N -3.04 4.38 -0.19 0.71 1.01 -0.29 -1.56 120.40 121.42 1vj6 s VAL 44 Ca 0.32 1.64 -0.16 0.00 0.00 0.00 0.00 61.98 63.79 1vj6 s VAL 44 Cb 0.06 -4.08 -0.07 0.00 0.00 0.00 0.00 36.38 32.29 1vj6 s VAL 44 CO 0.14 0.42 -0.28 1.17 0.00 0.00 0.00 175.10 176.55 1vj6 n LYS 45 N 1.31 0.52 -4.21 2.72 0.00 0.17 -3.40 118.16 115.27 1vj6 n LYS 45 Ca -0.04 0.32 -0.17 0.00 0.00 0.00 0.00 58.31 58.42 1vj6 n LYS 45 Cb 0.49 -1.52 -0.13 0.00 0.00 0.00 0.00 35.03 33.87 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 -2.77 0.76 -0.18 3.14 0.00 -1.22 -4.39 121.76 117.10 1vj6 s ALA 46 Ca -0.27 -0.62 -0.09 0.00 0.00 0.00 0.00 51.96 50.98 1vj6 s ALA 46 Cb 0.05 -0.09 -0.05 0.00 0.00 0.00 0.00 23.12 23.04 1vj6 s ALA 46 CO 0.40 0.11 0.11 0.42 0.00 0.00 0.00 175.76 176.81 1vj6 s ILE 47 N -0.78 5.25 0.52 0.00 -1.09 -1.26 -1.46 121.20 122.38 1vj6 s ILE 47 Ca -0.02 0.13 -0.04 0.00 -2.23 0.00 0.00 60.65 58.49 1vj6 s ILE 47 Cb -0.07 -3.37 -0.00 0.00 -1.58 0.00 0.00 42.46 37.44 1vj6 s ILE 47 CO 0.00 0.48 0.80 0.27 -1.23 0.00 0.00 174.94 175.26 1vj6 s ILE 48 N 0.09 3.99 -0.48 2.92 -4.36 -0.84 -4.99 121.20 117.53 1vj6 s ILE 48 Ca 0.08 -0.14 -0.27 0.00 -0.26 0.00 0.00 60.65 60.06 1vj6 s ILE 48 Cb -0.11 -3.53 -0.03 0.00 1.25 0.00 0.00 42.46 40.03 1vj6 s ILE 48 CO -0.00 -0.48 2.00 -2.84 0.24 0.00 0.00 174.94 173.85 1vj6 s PRO 49 N -4.79 2.74 -0.76 0.37 0.02 -1.26 -4.30 135.00 127.01 1vj6 s PRO 49 Ca 0.51 1.13 -0.02 0.00 0.02 0.00 0.00 61.00 62.63 1vj6 s PRO 49 Cb -0.10 -4.38 0.00 0.00 0.02 0.00 0.00 34.50 30.04 1vj6 s PRO 49 CO 0.42 -2.57 0.65 1.63 -0.33 0.00 0.00 177.00 176.81 1vj6 n LYS 50 N 8.90 -1.48 0.00 5.54 5.02 -1.26 -5.02 118.16 129.86 1vj6 n LYS 50 Ca 0.25 1.19 0.00 0.00 -2.02 0.00 0.00 58.31 57.73 1vj6 n LYS 50 Cb 0.51 -4.07 0.00 0.00 -0.02 0.00 0.00 35.03 31.45 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 -1.61 1.40 0.00 0.72 0.00 -1.26 -4.97 105.19 99.47 1vj6 n GLY 51 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 1.86 -0.03 4.61 0.00 0.91 -4.80 120.51 120.06 1vj6 n ALA 52 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1vj6 n ALA 52 Cb 0.00 0.23 -0.09 0.00 0.00 0.00 0.00 19.45 19.59 1vj6 n ALA 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vj6 h ALA 53 N 0.00 0.10 -0.43 0.00 0.00 -0.63 -2.84 119.26 115.47 1vj6 h ALA 53 Ca 0.00 -0.29 0.06 0.00 0.00 0.00 0.00 54.91 54.69 1vj6 h ALA 53 Cb 0.55 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1vj6 h ALA 53 CO 0.00 -0.08 0.29 1.49 0.00 0.00 0.00 179.25 180.95 1vj6 h GLU 54 N -0.27 0.30 0.00 0.00 4.81 -1.84 -1.65 114.58 115.93 1vj6 h GLU 54 Ca 0.01 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1vj6 h GLU 54 Cb 0.59 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.90 1vj6 h GLU 54 CO 0.02 0.20 0.00 0.43 -0.73 0.00 0.00 179.01 178.93 1vj6 n SER 55 N -4.47 0.00 0.00 1.04 7.64 -1.07 -3.43 113.62 113.32 1vj6 n SER 55 Ca 0.06 -0.46 0.00 0.00 1.01 0.00 0.00 58.87 59.47 1vj6 n SER 55 Cb 0.27 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.44 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 -1.03 0.00 0.00 6.43 2.03 -0.62 -5.06 116.55 118.30 1vj6 n ASP 56 Ca 0.12 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.43 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 2.53 0.29 0.14 0.27 0.00 -1.22 -4.98 105.19 102.22 1vj6 n GLY 57 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 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 -6.72 1.61 3.08 -1.89 -3.46 114.38 107.00 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 0.04 0.00 0.08 0.00 0.00 29.97 30.09 1vj6 h ARG 58 CO 0.00 0.27 0.67 0.42 -1.07 0.00 0.00 179.97 180.26 1vj6 s ILE 59 N -3.07 3.03 0.13 2.04 1.01 -1.26 -5.04 121.20 118.04 1vj6 s ILE 59 Ca 0.02 0.87 0.01 0.00 0.00 0.00 0.00 60.65 61.55 1vj6 s ILE 59 Cb 0.08 -3.56 -0.00 0.00 0.01 0.00 0.00 42.46 38.99 1vj6 s ILE 59 CO 0.76 0.14 0.15 1.57 0.00 0.00 0.00 174.94 177.56 1vj6 n HIS 60 N 2.35 -0.55 -2.93 3.97 -0.00 -1.26 -4.97 115.22 111.83 1vj6 n HIS 60 Ca 0.06 -1.00 -0.44 0.00 0.46 0.00 0.00 57.72 56.80 1vj6 n HIS 60 Cb 0.42 0.16 -0.00 0.00 -0.12 0.00 0.00 29.99 30.45 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 -2.42 4.04 0.00 1.57 1.02 -1.26 -3.31 119.74 119.38 1vj6 s LYS 61 Ca 0.13 -2.48 0.00 0.00 0.02 0.00 0.00 55.97 53.65 1vj6 s LYS 61 Cb 0.00 -5.07 0.00 0.00 -0.52 0.00 0.00 37.83 32.24 1vj6 s LYS 61 CO 0.10 -1.79 0.00 0.41 -0.92 0.00 0.00 175.35 173.15 1vj6 n GLY 62 N 4.30 0.29 3.62 -3.33 0.00 -1.22 -4.93 105.19 103.92 1vj6 n GLY 62 Ca 0.36 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.09 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 2.05 -0.02 1.61 1.01 -1.21 -4.66 116.67 115.45 1vj6 s ASP 63 Ca 0.00 1.21 -0.00 0.00 0.71 0.00 0.00 52.55 54.47 1vj6 s ASP 63 Cb 0.00 -1.89 -0.04 0.00 1.01 0.00 0.00 42.92 42.00 1vj6 s ASP 63 CO 0.00 -3.49 0.03 -0.60 0.21 0.00 0.00 175.17 171.32 1vj6 s ARG 64 N -4.87 2.94 -0.15 8.23 3.52 -0.28 -1.13 118.95 127.20 1vj6 s ARG 64 Ca 0.66 -0.51 -0.03 0.00 -0.13 0.00 0.00 55.73 55.72 1vj6 s ARG 64 Cb -0.20 -2.77 -0.02 0.00 -1.56 0.00 0.00 34.95 30.40 1vj6 s ARG 64 CO 0.59 0.65 -0.06 0.54 -0.81 0.00 0.00 175.30 176.21 1vj6 s VAL 65 N -1.08 3.65 -0.16 7.11 0.11 0.33 -0.29 120.40 130.07 1vj6 s VAL 65 Ca 0.19 -0.44 0.10 0.00 -2.93 0.00 0.00 61.98 58.90 1vj6 s VAL 65 Cb -0.12 -2.59 -0.17 0.00 -1.53 0.00 0.00 36.38 31.97 1vj6 s VAL 65 CO 0.10 0.50 -0.01 0.00 -3.33 0.00 0.00 175.10 172.35 1vj6 n LEU 66 N 3.60 0.85 -3.72 2.54 -0.00 0.39 -2.26 117.00 118.40 1vj6 n LEU 66 Ca -0.18 -0.03 -0.11 0.00 -0.00 0.00 0.00 56.01 55.69 1vj6 n LEU 66 Cb 0.52 0.07 -0.06 0.00 -0.00 0.00 0.00 43.42 43.95 1vj6 n LEU 66 CO 0.32 0.50 0.07 0.00 -0.00 0.00 0.00 177.39 178.28 1vj6 s ALA 67 N -2.37 -0.74 -0.06 1.47 0.00 -1.02 -0.77 121.76 118.27 1vj6 s ALA 67 Ca -0.13 -0.04 -0.01 0.00 0.00 0.00 0.00 51.96 51.78 1vj6 s ALA 67 Cb 0.05 0.44 0.03 0.00 0.00 0.00 0.00 23.12 23.64 1vj6 s ALA 67 CO 0.57 -0.49 0.01 0.08 0.00 0.00 0.00 175.76 175.93 1vj6 s VAL 68 N -3.04 0.31 -1.51 0.00 1.01 0.57 -0.23 120.40 117.51 1vj6 s VAL 68 Ca -0.02 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.12 1vj6 s VAL 68 Cb 0.01 -0.47 0.00 0.00 0.00 0.00 0.00 36.38 35.91 1vj6 s VAL 68 CO -0.06 0.24 0.00 -3.20 0.00 0.00 0.00 175.10 172.08 1vj6 n ASN 69 N 5.08 -4.89 0.00 3.32 5.15 0.35 -0.78 115.26 123.50 1vj6 n ASN 69 Ca -0.08 0.35 0.00 0.00 -0.60 0.00 0.00 54.58 54.25 1vj6 n ASN 69 Cb 0.50 -3.64 0.00 0.00 -0.53 0.00 0.00 39.78 36.11 1vj6 n ASN 69 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1vj6 n GLY 70 N -1.00 0.56 2.97 8.20 0.00 -1.26 -4.86 105.19 109.79 1vj6 n GLY 70 Ca -0.14 -0.83 -0.31 0.00 0.00 0.00 0.00 46.02 44.74 1vj6 n GLY 70 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vj6 s VAL 71 N -2.00 1.89 0.31 1.61 1.01 0.04 -5.11 120.40 118.15 1vj6 s VAL 71 Ca 0.00 -1.80 -0.29 0.00 0.00 0.00 0.00 61.98 59.89 1vj6 s VAL 71 Cb 0.00 -2.25 -0.10 0.00 0.00 0.00 0.00 36.38 34.02 1vj6 s VAL 71 CO 0.00 -0.37 1.37 -0.94 0.00 0.00 0.00 175.10 175.16 1vj6 s SER 72 N 1.16 6.68 -0.03 3.32 1.04 -1.26 -0.31 113.70 124.29 1vj6 s SER 72 Ca 0.03 2.73 -0.06 0.00 0.48 0.00 0.00 55.95 59.13 1vj6 s SER 72 Cb -0.19 -2.64 -0.25 0.00 0.10 0.00 0.00 66.02 63.04 1vj6 s SER 72 CO -0.09 -0.63 3.57 0.18 0.98 0.00 0.00 173.24 177.24 1vj6 n LEU 73 N 1.21 5.32 -4.59 2.42 4.77 0.05 -4.90 117.00 121.28 1vj6 n LEU 73 Ca 0.02 -3.24 -0.42 0.00 -0.03 0.00 0.00 56.01 52.34 1vj6 n LEU 73 Cb 0.41 -1.41 -0.02 0.00 -2.33 0.00 0.00 43.42 40.07 1vj6 n LEU 73 CO 0.60 1.70 1.29 -0.70 -1.33 0.00 0.00 177.39 178.95 1vj6 s GLU 74 N 0.81 3.41 -0.54 3.23 2.12 -1.26 -1.82 118.70 124.66 1vj6 s GLU 74 Ca 0.66 0.82 0.00 0.00 0.36 0.00 0.00 54.97 56.81 1vj6 s GLU 74 Cb 0.32 -4.09 0.00 0.00 0.26 0.00 0.00 34.13 30.62 1vj6 s GLU 74 CO -0.01 -1.77 0.00 0.41 -0.54 0.00 0.00 175.26 173.34 1vj6 n GLY 75 N 5.21 0.14 3.76 -1.50 0.00 -1.26 -5.00 105.19 106.54 1vj6 n GLY 75 Ca 0.16 -0.63 -0.40 0.00 0.00 0.00 0.00 46.02 45.16 1vj6 n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vj6 s ALA 76 N -2.31 3.42 0.32 4.61 0.00 -1.08 -4.88 121.76 121.83 1vj6 s ALA 76 Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 51.96 52.26 1vj6 s ALA 76 Cb 0.00 -2.95 0.00 0.00 0.00 0.00 0.00 23.12 20.17 1vj6 s ALA 76 CO 0.00 0.19 0.00 0.25 0.00 0.00 0.00 175.76 176.20 1vj6 n THR 77 N 2.21 0.00 0.02 0.00 -2.24 -1.26 -1.37 114.28 111.64 1vj6 n THR 77 Ca -0.04 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.61 1vj6 n THR 77 Cb 0.50 -1.32 -0.08 0.00 -2.10 0.00 0.00 70.33 67.32 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 -0.18 -0.01 -0.07 4.78 -0.00 -1.91 -1.14 115.15 116.62 1vj6 h HIS 78 Ca 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.36 1vj6 h HIS 78 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.41 1vj6 h HIS 78 CO 0.00 0.23 0.02 0.87 -0.00 0.00 0.00 177.93 179.05 1vj6 h LYS 79 N -0.24 0.11 -0.05 5.26 1.79 -1.98 -2.05 116.57 119.41 1vj6 h LYS 79 Ca -0.00 -0.03 -0.08 0.00 -2.18 0.00 0.00 60.65 58.36 1vj6 h LYS 79 Cb 0.24 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.86 1vj6 h LYS 79 CO 0.00 0.29 -0.36 0.37 -1.08 0.00 0.00 179.45 178.67 1vj6 h GLN 80 N -0.09 0.10 -0.40 3.15 4.15 -1.93 -1.94 115.11 118.16 1vj6 h GLN 80 Ca 0.02 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.38 1vj6 h GLN 80 Cb 0.23 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.89 1vj6 h GLN 80 CO -0.00 0.45 0.17 0.00 -1.93 0.00 0.00 178.83 177.52 1vj6 h ALA 81 N 1.55 0.52 -0.19 3.38 0.00 -1.16 -1.29 119.26 122.06 1vj6 h ALA 81 Ca 0.01 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 54.84 1vj6 h ALA 81 Cb 0.69 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 1vj6 h ALA 81 CO 0.05 0.11 -0.16 0.28 0.00 0.00 0.00 179.25 179.53 1vj6 h VAL 82 N 0.50 0.56 -0.69 0.00 2.07 -0.99 -0.86 116.25 116.84 1vj6 h VAL 82 Ca 0.13 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.69 1vj6 h VAL 82 Cb 0.17 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 30.46 1vj6 h VAL 82 CO -0.01 0.00 0.43 -0.33 0.02 0.00 0.00 177.57 177.68 1vj6 h GLU 83 N -0.17 0.81 -0.05 1.57 5.08 -1.33 0.68 114.58 121.17 1vj6 h GLU 83 Ca 0.12 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.37 1vj6 h GLU 83 Cb 0.34 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1vj6 h GLU 83 CO -0.29 0.53 -0.25 1.15 -1.00 0.00 0.00 179.01 179.15 1vj6 h THR 84 N 0.83 1.20 0.01 1.13 2.02 -0.68 -0.62 112.91 116.81 1vj6 h THR 84 Ca 0.28 -0.96 -0.21 0.00 0.77 0.00 0.00 66.41 66.29 1vj6 h THR 84 Cb 0.04 1.45 -0.03 0.00 -1.74 0.00 0.00 68.15 67.87 1vj6 h THR 84 CO -0.12 0.28 -1.17 -0.07 0.37 0.00 0.00 175.52 174.82 1vj6 h LEU 85 N 0.08 0.04 0.01 2.58 3.38 -0.97 -3.42 115.31 117.01 1vj6 h LEU 85 Ca 0.01 -0.60 -0.24 0.00 0.09 0.00 0.00 57.88 57.14 1vj6 h LEU 85 Cb 0.49 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1vj6 h LEU 85 CO 0.03 1.46 -1.10 -0.09 0.09 0.00 0.00 178.44 178.84 1vj6 h ARG 86 N -0.92 0.19 -1.32 1.13 1.12 -0.88 -3.32 114.38 110.38 1vj6 h ARG 86 Ca -0.31 -0.29 -0.37 0.00 -1.11 0.00 0.00 59.98 57.89 1vj6 h ARG 86 Cb 1.33 0.10 -0.17 0.00 -0.01 0.00 0.00 29.97 31.22 1vj6 h ARG 86 CO -0.16 1.11 0.48 -1.71 -3.11 0.00 0.00 179.97 176.58 1vj6 n ASN 87 N -3.51 5.99 -4.97 -3.80 5.15 -0.24 -4.83 115.26 109.04 1vj6 n ASN 87 Ca -0.05 -3.15 -0.21 0.00 -0.60 0.00 0.00 54.58 50.57 1vj6 n ASN 87 Cb 0.96 -0.97 0.03 0.00 -0.53 0.00 0.00 39.78 39.28 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 -2.61 2.70 0.00 -0.44 -4.23 -1.25 -4.98 115.64 104.82 1vj6 s THR 88 Ca 0.37 -0.70 0.00 0.00 -1.18 0.00 0.00 61.69 60.17 1vj6 s THR 88 Cb 0.29 -2.99 0.00 0.00 1.34 0.00 0.00 72.50 71.14 1vj6 s THR 88 CO 0.01 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.70 1vj6 n GLY 89 N -2.29 1.29 1.89 3.99 0.00 -1.26 -5.00 105.19 103.81 1vj6 n GLY 89 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.76 0.00 -2.62 1.61 7.27 -1.26 -4.99 117.38 116.63 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 -0.06 -0.03 0.00 2.41 0.00 0.00 30.24 32.56 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 4.56 -0.22 1.69 1.01 -1.26 -2.41 120.40 121.77 1vj6 s VAL 91 Ca 0.00 1.86 -0.02 0.00 0.00 0.00 0.00 61.98 63.83 1vj6 s VAL 91 Cb 0.00 -4.19 0.01 0.00 0.00 0.00 0.00 36.38 32.20 1vj6 s VAL 91 CO 0.00 0.16 -0.09 0.68 0.00 0.00 0.00 175.10 175.85 1vj6 s VAL 92 N 0.92 2.85 -0.75 2.92 -7.23 -0.35 -4.82 120.40 113.94 1vj6 s VAL 92 Ca 0.54 -0.83 -0.23 0.00 -1.81 0.00 0.00 61.98 59.64 1vj6 s VAL 92 Cb -0.24 -2.34 0.07 0.00 0.56 0.00 0.00 36.38 34.42 1vj6 s VAL 92 CO 0.29 0.35 1.11 -1.00 -0.31 0.00 0.00 175.10 175.53 1vj6 s HIS 93 N 1.37 2.64 -0.41 2.82 3.76 -1.26 -0.90 115.29 123.31 1vj6 s HIS 93 Ca 0.03 -0.59 -0.25 0.00 -0.15 0.00 0.00 55.06 54.10 1vj6 s HIS 93 Cb -0.15 -4.41 0.02 0.00 1.11 0.00 0.00 32.58 29.15 1vj6 s HIS 93 CO -0.06 -1.75 0.90 -0.51 -0.85 0.00 0.00 174.74 172.47 1vj6 s LEU 94 N 4.32 4.03 -0.52 0.89 1.43 0.15 -0.49 118.68 128.49 1vj6 s LEU 94 Ca 0.29 0.34 -0.20 0.00 -1.03 0.00 0.00 54.13 53.53 1vj6 s LEU 94 Cb -0.11 -3.18 0.06 0.00 0.03 0.00 0.00 46.19 42.98 1vj6 s LEU 94 CO 0.06 -0.91 0.68 -0.22 0.23 0.00 0.00 176.35 176.19 1vj6 s LEU 95 N 3.51 4.86 0.03 1.79 0.20 0.68 -0.92 118.68 128.83 1vj6 s LEU 95 Ca 0.36 -0.86 0.08 0.00 0.69 0.00 0.00 54.13 54.40 1vj6 s LEU 95 Cb -0.11 -2.49 -0.03 0.00 -0.43 0.00 0.00 46.19 43.12 1vj6 s LEU 95 CO 0.21 -0.96 -0.22 -0.76 -0.29 0.00 0.00 176.35 174.34 1vj6 s LEU 96 N 2.83 2.40 -0.03 -0.68 1.43 0.20 -0.46 118.68 124.37 1vj6 s LEU 96 Ca 0.17 -0.49 0.06 0.00 -1.03 0.00 0.00 54.13 52.85 1vj6 s LEU 96 Cb -0.18 -1.41 -0.01 0.00 0.03 0.00 0.00 46.19 44.61 1vj6 s LEU 96 CO 0.13 0.27 -0.22 -0.70 0.23 0.00 0.00 176.35 176.05 1vj6 s GLU 97 N -1.27 1.89 0.19 1.70 2.12 0.60 -1.43 118.70 122.50 1vj6 s GLU 97 Ca 0.13 -0.78 -0.30 0.00 0.36 0.00 0.00 54.97 54.38 1vj6 s GLU 97 Cb -0.10 -1.76 -0.08 0.00 0.26 0.00 0.00 34.13 32.45 1vj6 s GLU 97 CO 0.03 0.43 1.11 0.15 -0.54 0.00 0.00 175.26 176.45 1vj6 s LYS 98 N -0.39 4.58 -1.32 4.30 -0.14 -1.26 -1.13 119.74 124.38 1vj6 s LYS 98 Ca 0.05 1.75 -0.06 0.00 -1.36 0.00 0.00 55.97 56.35 1vj6 s LYS 98 Cb -0.10 -3.26 0.12 0.00 -1.68 0.00 0.00 37.83 32.91 1vj6 s LYS 98 CO 0.00 0.06 2.33 0.41 -0.76 0.00 0.00 175.35 177.39 1vj6 n GLY 99 N 2.00 5.14 0.97 -3.33 0.00 -1.26 -4.80 105.19 103.91 1vj6 n GLY 99 Ca 0.03 -2.05 -0.08 0.00 0.00 0.00 0.00 46.02 43.92 1vj6 n GLY 99 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1vj6 n GLN 100 N 2.03 1.20 -4.24 1.61 1.13 -1.26 -4.90 117.38 112.94 1vj6 n GLN 100 Ca 0.60 -0.99 -0.16 0.00 -1.94 0.00 0.00 57.00 54.51 1vj6 n GLN 100 Cb 0.26 0.41 -0.11 0.00 0.11 0.00 0.00 30.24 30.92 1vj6 n GLN 100 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1vj6 s VAL 101 N -1.77 1.25 -2.00 5.09 0.11 -1.26 -4.94 120.40 116.88 1vj6 s VAL 101 Ca 0.03 -1.83 0.07 0.00 -2.93 0.00 0.00 61.98 57.31 1vj6 s VAL 101 Cb 0.00 -1.62 0.19 0.00 -1.53 0.00 0.00 36.38 33.41 1vj6 s VAL 101 CO 0.02 -0.54 0.85 -2.65 -3.33 0.00 0.00 175.10 169.45