#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 0.93 0.33 0.03 3.01 -1.26 -5.08 119.74 117.70 1vj6 s LYS 9 Ca 0.00 -0.58 -0.27 0.00 -1.01 0.00 0.00 55.97 54.11 1vj6 s LYS 9 Cb 0.00 -0.91 -0.09 0.00 -1.01 0.00 0.00 37.83 35.82 1vj6 s LYS 9 CO 0.00 0.24 1.09 -1.25 0.51 0.00 0.00 175.35 175.94 1vj6 s PRO 10 N -0.70 4.41 -0.82 -1.68 0.04 -1.26 -3.45 135.00 131.55 1vj6 s PRO 10 Ca 0.03 1.71 0.00 0.00 0.04 0.00 0.00 61.00 62.78 1vj6 s PRO 10 Cb -0.06 -2.91 0.00 0.00 0.04 0.00 0.00 34.50 31.57 1vj6 s PRO 10 CO 0.00 0.03 0.00 0.41 0.04 0.00 0.00 177.00 177.49 1vj6 n GLY 11 N 0.84 0.94 3.61 0.56 0.00 -1.26 -4.96 105.19 104.92 1vj6 n GLY 11 Ca 0.02 -0.39 -0.43 0.00 0.00 0.00 0.00 46.02 45.22 1vj6 n GLY 11 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1vj6 s ASP 12 N -2.64 6.49 0.33 1.61 2.15 -1.22 -4.77 116.67 118.62 1vj6 s ASP 12 Ca 0.00 0.80 -0.22 0.00 0.43 0.00 0.00 52.55 53.56 1vj6 s ASP 12 Cb 0.00 -2.54 -0.10 0.00 -0.30 0.00 0.00 42.92 39.98 1vj6 s ASP 12 CO 0.00 -1.31 0.88 0.42 -0.17 0.00 0.00 175.17 174.99 1vj6 s THR 13 N 4.93 4.38 -0.10 1.71 -4.23 -1.26 -1.24 115.64 119.84 1vj6 s THR 13 Ca 0.56 1.53 -0.02 0.00 -1.18 0.00 0.00 61.69 62.59 1vj6 s THR 13 Cb -0.12 -3.83 0.04 0.00 1.34 0.00 0.00 72.50 69.92 1vj6 s THR 13 CO 0.30 0.00 0.02 0.72 -0.54 0.00 0.00 174.62 175.12 1vj6 s PHE 14 N -1.78 0.63 -1.17 3.99 -0.71 0.45 -4.97 117.98 114.42 1vj6 s PHE 14 Ca 0.52 -0.26 -0.10 0.00 -1.04 0.00 0.00 56.93 56.05 1vj6 s PHE 14 Cb -0.15 -0.80 0.23 0.00 -1.21 0.00 0.00 43.02 41.09 1vj6 s PHE 14 CO 0.20 -0.38 1.42 0.39 -1.34 0.00 0.00 175.22 175.51 1vj6 n GLU 15 N 5.16 3.65 -2.44 1.99 1.02 -1.26 -1.50 120.64 127.26 1vj6 n GLU 15 Ca -0.07 -4.10 -0.43 0.00 -0.02 0.00 0.00 57.16 52.54 1vj6 n GLU 15 Cb 0.49 -2.78 -0.02 0.00 -0.02 0.00 0.00 31.44 29.11 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 -0.25 4.23 -0.28 2.62 1.01 -0.21 -4.73 120.40 122.79 1vj6 s VAL 16 Ca 0.37 1.43 -0.09 0.00 0.00 0.00 0.00 61.98 63.69 1vj6 s VAL 16 Cb -0.02 -4.12 -0.02 0.00 0.00 0.00 0.00 36.38 32.22 1vj6 s VAL 16 CO -0.01 -0.35 0.12 -1.83 0.00 0.00 0.00 175.10 173.03 1vj6 s GLU 17 N 3.88 3.58 0.44 2.72 1.03 -1.26 0.31 118.70 129.40 1vj6 s GLU 17 Ca 0.55 -0.54 0.03 0.00 0.03 0.00 0.00 54.97 55.03 1vj6 s GLU 17 Cb -0.18 -3.46 -0.02 0.00 -0.80 0.00 0.00 34.13 29.67 1vj6 s GLU 17 CO 0.19 -0.27 0.10 -0.51 -1.33 0.00 0.00 175.26 173.44 1vj6 s LEU 18 N 1.64 2.06 -0.12 1.83 1.43 -0.25 -4.98 118.68 120.30 1vj6 s LEU 18 Ca 0.06 -1.68 -0.01 0.00 -1.03 0.00 0.00 54.13 51.47 1vj6 s LEU 18 Cb -0.16 -0.24 0.03 0.00 0.03 0.00 0.00 46.19 45.85 1vj6 s LEU 18 CO 0.06 -0.93 -0.06 0.00 0.23 0.00 0.00 176.35 175.65 1vj6 s ALA 19 N -3.12 1.26 0.16 4.21 0.00 -1.26 -2.10 121.76 120.91 1vj6 s ALA 19 Ca 0.19 -0.53 -0.32 0.00 0.00 0.00 0.00 51.96 51.31 1vj6 s ALA 19 Cb 0.02 -0.92 -0.11 0.00 0.00 0.00 0.00 23.12 22.12 1vj6 s ALA 19 CO 0.12 -0.47 1.68 0.15 0.00 0.00 0.00 175.76 177.23 1vj6 s LYS 20 N 1.74 4.17 -0.24 0.00 1.02 -1.19 -4.95 119.74 120.29 1vj6 s LYS 20 Ca 0.04 2.48 -0.21 0.00 0.02 0.00 0.00 55.97 58.30 1vj6 s LYS 20 Cb -0.13 -3.25 -0.02 0.00 -0.52 0.00 0.00 37.83 33.91 1vj6 s LYS 20 CO -0.08 -0.71 0.66 -0.08 -0.92 0.00 0.00 175.35 174.22 1vj6 s THR 21 N 1.60 4.97 0.00 2.17 -1.32 -0.77 -3.98 115.64 118.32 1vj6 s THR 21 Ca 0.74 1.22 0.00 0.00 -1.21 0.00 0.00 61.69 62.44 1vj6 s THR 21 Cb -0.46 -3.97 0.00 0.00 -1.51 0.00 0.00 72.50 66.57 1vj6 s THR 21 CO 0.32 0.04 0.00 0.47 -2.21 0.00 0.00 174.62 173.24 1vj6 n ASP 22 N 5.56 -2.26 -1.21 8.08 8.00 -1.26 -3.17 116.55 130.30 1vj6 n ASP 22 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1vj6 n ASP 22 Cb 0.49 -1.97 0.00 0.00 -0.02 0.00 0.00 41.12 39.62 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 -1.29 -1.60 0.00 0.44 0.00 -1.26 -5.13 105.19 96.36 1vj6 n GLY 23 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1vj6 n GLY 23 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1vj6 n SER 24 N -0.15 0.00 -0.00 1.61 7.64 -1.19 -5.01 113.62 116.52 1vj6 n SER 24 Ca 0.00 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.75 1vj6 n SER 24 Cb 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 1vj6 n SER 24 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1vj6 h LEU 25 N 0.00 0.74 0.00 -3.43 3.38 -1.93 -2.04 115.31 112.03 1vj6 h LEU 25 Ca 0.00 -0.45 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1vj6 h LEU 25 Cb 0.00 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.53 1vj6 h LEU 25 CO 0.00 1.21 0.00 0.61 0.09 0.00 0.00 178.44 180.35 1vj6 n GLY 26 N 0.52 1.53 3.28 0.83 0.00 -1.26 -0.42 105.19 109.66 1vj6 n GLY 26 Ca -0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.65 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 2.06 -0.19 -0.61 -4.36 -1.26 -1.96 121.20 112.87 1vj6 s ILE 27 Ca 0.00 -1.08 -0.25 0.00 -0.26 0.00 0.00 60.65 59.06 1vj6 s ILE 27 Cb 0.00 -1.73 -0.01 0.00 1.25 0.00 0.00 42.46 41.97 1vj6 s ILE 27 CO 0.00 0.57 0.84 -0.44 0.24 0.00 0.00 174.94 176.15 1vj6 s SER 28 N -0.26 6.92 0.01 4.36 0.01 -0.51 -4.97 113.70 119.26 1vj6 s SER 28 Ca -0.01 1.13 -0.25 0.00 1.31 0.00 0.00 55.95 58.14 1vj6 s SER 28 Cb -0.13 -2.45 -0.05 0.00 0.21 0.00 0.00 66.02 63.60 1vj6 s SER 28 CO 0.03 -0.44 0.75 0.68 0.41 0.00 0.00 173.24 174.67 1vj6 s VAL 29 N 2.41 4.84 0.27 3.43 -7.23 -1.26 -0.51 120.40 122.35 1vj6 s VAL 29 Ca 0.37 1.59 0.09 0.00 -1.81 0.00 0.00 61.98 62.22 1vj6 s VAL 29 Cb -0.16 -4.10 -0.05 0.00 0.56 0.00 0.00 36.38 32.63 1vj6 s VAL 29 CO 0.10 0.32 -0.14 0.28 -0.31 0.00 0.00 175.10 175.36 1vj6 s THR 30 N 0.25 2.08 0.00 5.32 -1.32 0.02 -4.82 115.64 117.17 1vj6 s THR 30 Ca 0.39 -2.27 0.00 0.00 -1.21 0.00 0.00 61.69 58.60 1vj6 s THR 30 Cb -0.20 -2.32 0.00 0.00 -1.51 0.00 0.00 72.50 68.47 1vj6 s THR 30 CO 0.22 -0.40 0.00 0.61 -2.21 0.00 0.00 174.62 172.84 1vj6 n GLY 31 N -0.58 -0.29 0.00 6.08 0.00 -1.26 -1.47 105.19 107.67 1vj6 n GLY 31 Ca -0.06 -1.09 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 4.45 0.35 -0.02 0.00 -0.95 -4.20 105.19 104.82 1vj6 n GLY 32 Ca 0.00 -1.28 0.17 0.00 0.00 0.00 0.00 46.02 44.91 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 2.56 0.10 0.11 1.61 3.04 -0.82 -3.26 116.25 119.58 1vj6 h VAL 33 Ca 0.00 0.00 0.01 0.00 -1.01 0.00 0.00 66.70 65.70 1vj6 h VAL 33 Cb 0.00 0.70 -0.05 0.00 -2.01 0.00 0.00 31.29 29.94 1vj6 h VAL 33 CO 0.00 0.00 -0.53 -1.13 -1.01 0.00 0.00 177.57 174.90 1vj6 h ASN 34 N 0.00 -1.59 0.00 3.17 -0.73 -1.92 -3.33 115.58 111.18 1vj6 h ASN 34 Ca 0.04 0.17 0.00 0.00 1.87 0.00 0.00 56.30 58.38 1vj6 h ASN 34 Cb 0.66 0.59 0.00 0.00 0.27 0.00 0.00 38.32 39.84 1vj6 h ASN 34 CO -0.00 -0.55 0.00 1.07 -0.37 0.00 0.00 177.43 177.58 1vj6 n THR 35 N -5.44 0.00 0.35 -3.57 5.66 -1.23 -4.83 114.28 105.21 1vj6 n THR 35 Ca -0.08 0.00 0.10 0.00 -3.05 0.00 0.00 64.05 61.02 1vj6 n THR 35 Cb 0.41 -0.20 0.46 0.00 -1.55 0.00 0.00 70.33 69.45 1vj6 n THR 35 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1vj6 n SER 36 N -3.30 0.52 -0.68 1.09 3.41 -1.26 -2.10 113.62 111.30 1vj6 n SER 36 Ca 0.00 0.65 0.06 0.00 -0.26 0.00 0.00 58.87 59.33 1vj6 n SER 36 Cb 0.00 -0.75 0.14 0.00 -0.26 0.00 0.00 64.21 63.34 1vj6 n SER 36 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1vj6 n VAL 37 N -2.10 0.71 -3.30 -3.33 0.24 -1.26 -4.99 118.33 104.30 1vj6 n VAL 37 Ca 0.02 -0.85 -0.17 0.00 -2.04 0.00 0.00 64.34 61.29 1vj6 n VAL 37 Cb 0.17 0.73 0.07 0.00 -1.47 0.00 0.00 33.84 33.34 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 0.70 -2.22 -3.06 7.34 0.63 -0.89 -4.41 116.66 114.75 1vj6 n ARG 38 Ca 0.12 0.83 -0.15 0.00 -0.92 0.00 0.00 57.85 57.72 1vj6 n ARG 38 Cb 0.42 -5.67 0.02 0.00 0.45 0.00 0.00 32.46 27.68 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 -3.34 -2.99 0.00 -0.14 8.25 -1.25 -5.03 115.22 110.72 1vj6 n HIS 39 Ca -0.08 1.24 0.00 0.00 -0.26 0.00 0.00 57.72 58.63 1vj6 n HIS 39 Cb 0.62 -3.08 0.00 0.00 1.12 0.00 0.00 29.99 28.65 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 0.06 3.79 0.00 -1.41 0.00 -1.26 -4.97 105.19 101.40 1vj6 n GLY 40 Ca 0.03 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.61 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 4.83 3.55 -0.02 0.00 -1.26 -1.33 105.19 110.96 1vj6 n GLY 41 Ca 0.00 -0.58 -0.25 0.00 0.00 0.00 0.00 46.02 45.19 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 1.74 3.00 0.03 -0.61 1.10 -1.09 -2.23 121.20 123.13 1vj6 s ILE 42 Ca 0.00 -1.99 -0.01 0.00 -0.51 0.00 0.00 60.65 58.14 1vj6 s ILE 42 Cb 0.00 -2.55 -0.02 0.00 0.15 0.00 0.00 42.46 40.04 1vj6 s ILE 42 CO 0.00 -0.28 -0.01 -0.31 -2.11 0.00 0.00 174.94 172.23 1vj6 s TYR 43 N -2.13 0.31 -0.05 3.50 1.51 -0.54 -0.25 117.35 119.70 1vj6 s TYR 43 Ca 0.28 -0.64 -0.22 0.00 -1.01 0.00 0.00 57.07 55.48 1vj6 s TYR 43 Cb -0.07 -0.23 -0.04 0.00 -0.11 0.00 0.00 41.96 41.51 1vj6 s TYR 43 CO 0.16 -0.25 0.64 0.08 -1.11 0.00 0.00 175.55 175.06 1vj6 s VAL 44 N -2.14 5.01 -0.24 0.71 1.01 -0.65 -0.80 120.40 123.30 1vj6 s VAL 44 Ca -0.10 1.32 -0.16 0.00 0.00 0.00 0.00 61.98 63.04 1vj6 s VAL 44 Cb -0.05 -3.98 -0.12 0.00 0.00 0.00 0.00 36.38 32.24 1vj6 s VAL 44 CO -0.03 0.32 -0.21 1.17 0.00 0.00 0.00 175.10 176.34 1vj6 n LYS 45 N 3.41 0.56 -3.80 2.72 0.00 0.34 -2.97 118.16 118.41 1vj6 n LYS 45 Ca -0.04 0.34 -0.25 0.00 0.00 0.00 0.00 58.31 58.37 1vj6 n LYS 45 Cb 0.51 -1.55 -0.17 0.00 0.00 0.00 0.00 35.03 33.82 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 -2.56 0.92 -0.10 3.14 0.00 -1.18 -4.71 121.76 117.28 1vj6 s ALA 46 Ca -0.33 -0.34 -0.21 0.00 0.00 0.00 0.00 51.96 51.07 1vj6 s ALA 46 Cb 0.10 -0.87 -0.04 0.00 0.00 0.00 0.00 23.12 22.31 1vj6 s ALA 46 CO 0.48 -0.59 0.61 0.42 0.00 0.00 0.00 175.76 176.68 1vj6 s ILE 47 N 1.88 5.10 -0.18 0.00 -1.09 -1.26 -1.42 121.20 124.23 1vj6 s ILE 47 Ca 0.04 1.22 -0.29 0.00 -2.23 0.00 0.00 60.65 59.39 1vj6 s ILE 47 Cb -0.13 -3.94 -0.00 0.00 -1.58 0.00 0.00 42.46 36.80 1vj6 s ILE 47 CO -0.06 0.26 1.12 -0.63 -1.23 0.00 0.00 174.94 174.39 1vj6 s ILE 48 N 0.88 4.54 -1.48 2.92 1.01 -0.83 -4.95 121.20 123.28 1vj6 s ILE 48 Ca 0.32 1.85 -0.12 0.00 0.00 0.00 0.00 60.65 62.70 1vj6 s ILE 48 Cb -0.16 -4.19 0.02 0.00 0.01 0.00 0.00 42.46 38.13 1vj6 s ILE 48 CO 0.14 -0.13 2.41 -0.81 0.00 0.00 0.00 174.94 176.55 1vj6 n PRO 49 N 6.13 3.23 0.00 2.79 -0.04 -1.26 -3.48 135.00 142.37 1vj6 n PRO 49 Ca 0.12 -2.61 0.00 0.00 -0.04 0.00 0.00 63.50 60.97 1vj6 n PRO 49 Cb 0.46 -3.09 0.00 0.00 -0.04 0.00 0.00 33.50 30.83 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 5.02 0.00 0.00 0.54 2.85 -1.26 -5.12 118.16 120.19 1vj6 n LYS 50 Ca 0.59 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.85 1vj6 n LYS 50 Cb 0.34 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.72 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 -1.55 2.12 2.58 0.00 -1.23 -4.85 105.19 102.26 1vj6 n GLY 51 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.35 0.70 -0.12 4.61 0.00 -1.13 -4.76 120.51 118.47 1vj6 n ALA 52 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 1vj6 n ALA 52 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.47 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 0.70 -0.93 0.00 0.00 -1.07 -2.14 119.26 115.82 1vj6 h ALA 53 Ca 0.00 -0.42 0.20 0.00 0.00 0.00 0.00 54.91 54.70 1vj6 h ALA 53 Cb 0.00 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 17.57 1vj6 h ALA 53 CO 0.00 0.67 0.61 1.49 0.00 0.00 0.00 179.25 182.01 1vj6 h GLU 54 N 0.75 0.45 0.00 0.00 4.57 -1.81 -1.99 114.58 116.56 1vj6 h GLU 54 Ca 0.08 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.24 1vj6 h GLU 54 Cb 0.86 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.35 1vj6 h GLU 54 CO 0.08 0.30 0.00 0.66 -1.18 0.00 0.00 179.01 178.87 1vj6 h SER 55 N 0.47 0.00 0.00 1.04 4.64 -1.71 -2.83 113.55 115.16 1vj6 h SER 55 Ca 0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.82 1vj6 h SER 55 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1vj6 h SER 55 CO -0.21 0.00 0.00 -0.67 -0.87 0.00 0.00 176.83 175.08 1vj6 n ASP 56 N -2.48 0.00 0.00 4.97 2.03 -0.75 -5.03 116.55 115.30 1vj6 n ASP 56 Ca -0.01 0.47 0.00 0.00 0.52 0.00 0.00 54.79 55.77 1vj6 n ASP 56 Cb 0.08 -0.14 0.00 0.00 -0.72 0.00 0.00 41.12 40.34 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 0.40 1.33 0.09 0.27 0.00 -1.07 -4.97 105.19 101.25 1vj6 n GLY 57 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 1vj6 n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vj6 n ARG 58 N 0.00 0.17 -2.84 1.61 3.00 -1.26 -4.84 116.66 112.51 1vj6 n ARG 58 Ca 0.00 0.28 -0.38 0.00 -0.01 0.00 0.00 57.85 57.73 1vj6 n ARG 58 Cb 0.00 -1.76 -0.06 0.00 0.00 0.00 0.00 32.46 30.64 1vj6 n ARG 58 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1vj6 s ILE 59 N -3.17 4.22 0.16 0.55 1.01 -1.26 -5.06 121.20 117.65 1vj6 s ILE 59 Ca 0.08 1.85 0.03 0.00 0.00 0.00 0.00 60.65 62.61 1vj6 s ILE 59 Cb 0.12 -4.14 -0.01 0.00 0.01 0.00 0.00 42.46 38.44 1vj6 s ILE 59 CO 0.47 0.35 0.10 0.00 0.00 0.00 0.00 174.94 175.86 1vj6 n HIS 60 N 1.11 -0.20 -1.29 3.97 1.44 -1.26 -4.98 115.22 114.00 1vj6 n HIS 60 Ca -0.01 -1.20 -0.30 0.00 -2.01 0.00 0.00 57.72 54.19 1vj6 n HIS 60 Cb 0.49 0.08 -0.07 0.00 0.12 0.00 0.00 29.99 30.61 1vj6 n HIS 60 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1vj6 n LYS 61 N -0.32 3.19 0.00 -1.40 5.02 -1.26 -3.30 118.16 120.08 1vj6 n LYS 61 Ca 0.01 -1.96 0.00 0.00 -2.02 0.00 0.00 58.31 54.34 1vj6 n LYS 61 Cb 0.27 -2.49 0.00 0.00 -0.02 0.00 0.00 35.03 32.79 1vj6 n LYS 61 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1vj6 n GLY 62 N 2.89 0.37 3.80 0.72 0.00 -1.16 -4.79 105.19 107.03 1vj6 n GLY 62 Ca 0.64 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.34 1vj6 n GLY 62 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1vj6 s ASP 63 N 0.00 5.40 -0.22 1.61 1.01 -1.21 -4.19 116.67 119.07 1vj6 s ASP 63 Ca 0.00 1.74 -0.17 0.00 0.71 0.00 0.00 52.55 54.84 1vj6 s ASP 63 Cb 0.00 -2.52 -0.04 0.00 1.01 0.00 0.00 42.92 41.38 1vj6 s ASP 63 CO 0.00 -1.43 0.43 -0.60 0.21 0.00 0.00 175.17 173.79 1vj6 s ARG 64 N -4.60 4.15 -0.41 8.23 3.52 -0.24 -1.64 118.95 127.96 1vj6 s ARG 64 Ca 0.61 0.24 -0.16 0.00 -0.13 0.00 0.00 55.73 56.29 1vj6 s ARG 64 Cb -0.16 -3.57 0.02 0.00 -1.56 0.00 0.00 34.95 29.68 1vj6 s ARG 64 CO 0.47 -0.13 0.39 0.08 -0.81 0.00 0.00 175.30 175.30 1vj6 s VAL 65 N 1.59 5.15 -0.12 7.11 1.01 0.65 -0.12 120.40 135.67 1vj6 s VAL 65 Ca 0.20 -0.41 0.16 0.00 0.00 0.00 0.00 61.98 61.93 1vj6 s VAL 65 Cb -0.15 -3.99 -0.23 0.00 0.00 0.00 0.00 36.38 32.01 1vj6 s VAL 65 CO 0.09 -0.36 0.17 0.00 0.00 0.00 0.00 175.10 175.00 1vj6 n LEU 66 N 5.45 0.00 -3.84 3.92 -0.00 0.04 -2.68 117.00 119.88 1vj6 n LEU 66 Ca -0.09 0.00 -0.07 0.00 -0.00 0.00 0.00 56.01 55.85 1vj6 n LEU 66 Cb 0.47 0.27 -0.01 0.00 -0.00 0.00 0.00 43.42 44.16 1vj6 n LEU 66 CO 0.44 0.27 0.51 0.00 -0.00 0.00 0.00 177.39 178.61 1vj6 s ALA 67 N -2.70 -1.16 -0.08 1.47 0.00 -1.01 0.24 121.76 118.52 1vj6 s ALA 67 Ca -0.08 -0.37 -0.03 0.00 0.00 0.00 0.00 51.96 51.48 1vj6 s ALA 67 Cb 0.07 0.80 0.04 0.00 0.00 0.00 0.00 23.12 24.03 1vj6 s ALA 67 CO 0.71 -1.03 0.14 0.54 0.00 0.00 0.00 175.76 176.12 1vj6 s VAL 68 N -3.51 -0.23 -0.90 0.00 0.11 0.24 -0.40 120.40 115.71 1vj6 s VAL 68 Ca 0.12 0.36 -0.08 0.00 -2.93 0.00 0.00 61.98 59.45 1vj6 s VAL 68 Cb -0.05 -0.27 0.08 0.00 -1.53 0.00 0.00 36.38 34.60 1vj6 s VAL 68 CO 0.08 0.15 0.19 -0.46 -3.33 0.00 0.00 175.10 171.73 1vj6 n ASN 69 N 5.27 -0.40 -0.00 3.54 2.04 -0.48 -0.12 115.26 125.11 1vj6 n ASN 69 Ca -0.05 -0.64 -0.00 0.00 -0.44 0.00 0.00 54.58 53.44 1vj6 n ASN 69 Cb 0.50 -0.82 -0.00 0.00 -2.53 0.00 0.00 39.78 36.93 1vj6 n ASN 69 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1vj6 n GLY 70 N -1.17 0.48 3.41 4.83 0.00 -1.26 -5.01 105.19 106.47 1vj6 n GLY 70 Ca -0.03 -0.03 -0.44 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.98 4.90 0.18 1.61 1.01 0.83 -5.01 120.40 121.95 1vj6 s VAL 71 Ca 0.00 -0.77 -0.31 0.00 0.00 0.00 0.00 61.98 60.89 1vj6 s VAL 71 Cb 0.00 -4.36 -0.10 0.00 0.00 0.00 0.00 36.38 31.92 1vj6 s VAL 71 CO 0.00 -0.91 1.58 -0.55 0.00 0.00 0.00 175.10 175.22 1vj6 s SER 72 N 3.08 6.56 0.00 3.32 0.15 -1.26 -0.60 113.70 124.95 1vj6 s SER 72 Ca 0.12 2.66 0.26 0.00 0.70 0.00 0.00 55.95 59.70 1vj6 s SER 72 Cb -0.22 -2.60 0.73 0.00 -1.71 0.00 0.00 66.02 62.23 1vj6 s SER 72 CO 0.09 -0.84 1.55 0.18 1.20 0.00 0.00 173.24 175.42 1vj6 n LEU 73 N 3.83 0.79 -4.59 3.45 4.77 0.14 -4.71 117.00 120.67 1vj6 n LEU 73 Ca 0.14 -0.14 -0.43 0.00 -0.03 0.00 0.00 56.01 55.55 1vj6 n LEU 73 Cb 0.38 -0.18 -0.02 0.00 -2.33 0.00 0.00 43.42 41.27 1vj6 n LEU 73 CO 0.62 0.16 1.22 -0.70 -1.33 0.00 0.00 177.39 177.35 1vj6 s GLU 74 N -2.67 3.52 0.00 3.23 2.12 -1.22 -0.84 118.70 122.84 1vj6 s GLU 74 Ca 0.20 0.76 0.00 0.00 0.36 0.00 0.00 54.97 56.30 1vj6 s GLU 74 Cb 0.19 -4.04 0.00 0.00 0.26 0.00 0.00 34.13 30.54 1vj6 s GLU 74 CO 0.57 -1.65 0.00 0.41 -0.54 0.00 0.00 175.26 174.06 1vj6 n GLY 75 N 5.11 0.80 3.81 -1.50 0.00 -0.44 -4.98 105.19 107.99 1vj6 n GLY 75 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.00 3.68 0.45 4.61 0.00 -0.02 -4.86 121.76 123.61 1vj6 s ALA 76 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.21 1vj6 s ALA 76 Cb 0.00 -1.75 0.00 0.00 0.00 0.00 0.00 23.12 21.37 1vj6 s ALA 76 CO 0.00 0.65 0.00 0.25 0.00 0.00 0.00 175.76 176.66 1vj6 n THR 77 N 1.70 0.00 0.09 0.00 -2.24 -1.26 -0.41 114.28 112.16 1vj6 n THR 77 Ca -0.17 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.48 1vj6 n THR 77 Cb 0.54 -1.45 -0.08 0.00 -2.10 0.00 0.00 70.33 67.24 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 -0.09 -0.18 0.05 4.78 2.76 -1.91 -0.51 115.15 120.05 1vj6 h HIS 78 Ca 0.00 -0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.16 1vj6 h HIS 78 Cb 0.00 0.06 0.00 0.00 1.55 0.00 0.00 27.41 29.02 1vj6 h HIS 78 CO 0.00 0.01 -0.02 0.87 -1.30 0.00 0.00 177.93 177.49 1vj6 h LYS 79 N -0.33 -0.06 -0.28 5.26 1.79 -1.95 -2.50 116.57 118.51 1vj6 h LYS 79 Ca -0.02 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.42 1vj6 h LYS 79 Cb 0.27 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.91 1vj6 h LYS 79 CO 0.03 0.21 0.02 1.96 -1.08 0.00 0.00 179.45 180.58 1vj6 h GLN 80 N -0.33 0.41 -0.45 3.15 7.50 -1.92 -1.90 115.11 121.57 1vj6 h GLN 80 Ca -0.01 -0.07 -0.07 0.00 0.50 0.00 0.00 58.65 59.01 1vj6 h GLN 80 Cb 0.29 -0.07 -0.02 0.00 0.05 0.00 0.00 27.48 27.74 1vj6 h GLN 80 CO 0.01 0.43 0.02 0.00 -1.50 0.00 0.00 178.83 177.79 1vj6 h ALA 81 N 1.62 0.61 0.07 3.87 0.00 -1.05 0.06 119.26 124.45 1vj6 h ALA 81 Ca 0.09 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1vj6 h ALA 81 Cb 0.24 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1vj6 h ALA 81 CO 0.00 0.38 -0.07 0.28 0.00 0.00 0.00 179.25 179.85 1vj6 h VAL 82 N 0.64 0.84 -0.20 0.00 2.07 -1.14 -1.86 116.25 116.59 1vj6 h VAL 82 Ca 0.13 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.61 1vj6 h VAL 82 Cb 0.47 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 1vj6 h VAL 82 CO 0.02 0.00 -0.05 -0.33 0.02 0.00 0.00 177.57 177.23 1vj6 h GLU 83 N -0.16 0.31 -0.46 1.57 4.39 -1.32 0.21 114.58 119.11 1vj6 h GLU 83 Ca 0.00 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.64 1vj6 h GLU 83 Cb 0.15 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.73 1vj6 h GLU 83 CO -0.02 0.38 0.29 1.15 -1.16 0.00 0.00 179.01 179.65 1vj6 h THR 84 N 0.30 1.14 0.13 1.13 2.02 -0.72 -2.25 112.91 114.66 1vj6 h THR 84 Ca 0.07 -0.31 -0.34 0.00 0.77 0.00 0.00 66.41 66.60 1vj6 h THR 84 Cb 0.29 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 1vj6 h THR 84 CO 0.01 0.14 -1.81 -0.07 0.37 0.00 0.00 175.52 174.16 1vj6 h LEU 85 N 0.62 0.43 -0.08 2.58 3.38 -0.77 -3.40 115.31 118.07 1vj6 h LEU 85 Ca 0.17 -0.90 -0.14 0.00 0.09 0.00 0.00 57.88 57.10 1vj6 h LEU 85 Cb -0.02 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 40.60 1vj6 h LEU 85 CO -0.03 1.79 -0.49 -0.09 0.09 0.00 0.00 178.44 179.71 1vj6 h ARG 86 N -0.06 0.46 -1.67 1.13 1.12 -0.73 -3.35 114.38 111.28 1vj6 h ARG 86 Ca -0.39 -0.40 -0.32 0.00 -1.11 0.00 0.00 59.98 57.76 1vj6 h ARG 86 Cb 1.96 0.09 -0.13 0.00 -0.01 0.00 0.00 29.97 31.87 1vj6 h ARG 86 CO 0.08 1.04 0.34 -1.71 -3.11 0.00 0.00 179.97 176.61 1vj6 n ASN 87 N -4.27 6.32 -2.30 -3.80 5.15 -0.85 -4.77 115.26 110.75 1vj6 n ASN 87 Ca -0.09 -3.01 -0.02 0.00 -0.60 0.00 0.00 54.58 50.87 1vj6 n ASN 87 Cb 0.60 -1.11 0.01 0.00 -0.53 0.00 0.00 39.78 38.74 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 0.65 0.00 0.00 -0.44 -2.24 -1.26 -4.98 114.28 106.01 1vj6 n THR 88 Ca 0.32 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 1vj6 n THR 88 Cb 0.58 -0.98 0.00 0.00 -2.10 0.00 0.00 70.33 67.84 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 4.27 0.90 0.11 3.38 0.00 -1.26 -5.05 105.19 107.54 1vj6 n GLY 89 Ca 0.02 -0.45 -0.21 0.00 0.00 0.00 0.00 46.02 45.38 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 0.55 -2.69 1.61 -0.06 -1.26 -4.90 117.38 110.63 1vj6 n GLN 90 Ca 0.00 0.46 -0.42 0.00 -2.00 0.00 0.00 57.00 55.04 1vj6 n GLN 90 Cb 0.00 -1.65 -0.03 0.00 -4.06 0.00 0.00 30.24 24.50 1vj6 n GLN 90 CO 0.00 0.00 0.00 0.08 -0.20 0.00 0.00 177.06 176.94 1vj6 s VAL 91 N -2.42 4.73 -0.22 1.69 1.01 -1.26 -3.17 120.40 120.76 1vj6 s VAL 91 Ca -0.30 2.02 0.02 0.00 0.00 0.00 0.00 61.98 63.72 1vj6 s VAL 91 Cb 0.08 -4.29 0.05 0.00 0.00 0.00 0.00 36.38 32.21 1vj6 s VAL 91 CO 0.50 0.19 -0.12 0.68 0.00 0.00 0.00 175.10 176.35 1vj6 s VAL 92 N 0.80 1.88 -0.89 2.92 -7.23 -0.89 -4.92 120.40 112.07 1vj6 s VAL 92 Ca 0.51 -1.24 -0.24 0.00 -1.81 0.00 0.00 61.98 59.21 1vj6 s VAL 92 Cb -0.22 -1.94 0.05 0.00 0.56 0.00 0.00 36.38 34.83 1vj6 s VAL 92 CO 0.29 0.13 1.32 -1.00 -0.31 0.00 0.00 175.10 175.53 1vj6 s HIS 93 N 1.28 2.51 -0.38 2.82 3.76 -1.26 -1.09 115.29 122.93 1vj6 s HIS 93 Ca -0.03 -0.60 -0.29 0.00 -0.15 0.00 0.00 55.06 53.99 1vj6 s HIS 93 Cb -0.17 -4.60 0.00 0.00 1.11 0.00 0.00 32.58 28.92 1vj6 s HIS 93 CO -0.08 -1.92 1.50 -0.51 -0.85 0.00 0.00 174.74 172.88 1vj6 s LEU 94 N 4.95 3.60 -0.68 0.89 1.43 0.15 -1.39 118.68 127.63 1vj6 s LEU 94 Ca 0.39 0.98 -0.24 0.00 -1.03 0.00 0.00 54.13 54.23 1vj6 s LEU 94 Cb -0.05 -3.54 0.06 0.00 0.03 0.00 0.00 46.19 42.69 1vj6 s LEU 94 CO 0.00 -1.47 1.06 -0.22 0.23 0.00 0.00 176.35 175.96 1vj6 s LEU 95 N 5.68 3.98 0.07 1.79 0.20 0.46 -1.05 118.68 129.81 1vj6 s LEU 95 Ca 0.65 -0.77 0.04 0.00 0.69 0.00 0.00 54.13 54.74 1vj6 s LEU 95 Cb -0.16 -2.50 -0.04 0.00 -0.43 0.00 0.00 46.19 43.06 1vj6 s LEU 95 CO 0.32 -1.55 0.02 -0.76 -0.29 0.00 0.00 176.35 174.09 1vj6 s LEU 96 N 4.59 3.57 0.08 -0.68 1.43 -0.56 -0.78 118.68 126.32 1vj6 s LEU 96 Ca 0.27 -0.10 0.08 0.00 -1.03 0.00 0.00 54.13 53.35 1vj6 s LEU 96 Cb -0.14 -2.24 -0.03 0.00 0.03 0.00 0.00 46.19 43.81 1vj6 s LEU 96 CO 0.12 0.19 -0.21 -0.70 0.23 0.00 0.00 176.35 175.98 1vj6 s GLU 97 N -2.20 1.28 -0.12 1.70 2.12 0.83 -0.41 118.70 121.91 1vj6 s GLU 97 Ca 0.26 -1.07 -0.30 0.00 0.36 0.00 0.00 54.97 54.21 1vj6 s GLU 97 Cb -0.12 -1.49 -0.08 0.00 0.26 0.00 0.00 34.13 32.70 1vj6 s GLU 97 CO 0.18 0.36 2.08 1.63 -0.54 0.00 0.00 175.26 178.97 1vj6 n LYS 98 N 1.44 2.26 -2.57 4.30 4.76 -0.37 -1.08 118.16 126.90 1vj6 n LYS 98 Ca -0.18 0.75 -0.41 0.00 -2.87 0.00 0.00 58.31 55.59 1vj6 n LYS 98 Cb 0.53 -2.99 0.01 0.00 -1.84 0.00 0.00 35.03 30.74 1vj6 n LYS 98 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1vj6 n GLY 99 N 5.17 5.79 3.13 0.72 0.00 -1.26 -4.40 105.19 114.34 1vj6 n GLY 99 Ca 0.26 -2.48 -0.09 0.00 0.00 0.00 0.00 46.02 43.71 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 -3.38 0.65 0.73 1.61 0.74 -1.26 -4.52 119.66 114.23 1vj6 s GLN 100 Ca 0.40 -0.85 -0.11 0.00 0.05 0.00 0.00 55.36 54.85 1vj6 s GLN 100 Cb 0.16 0.25 0.04 0.00 1.10 0.00 0.00 33.01 34.56 1vj6 s GLN 100 CO -0.08 -0.17 1.11 0.14 -0.55 0.00 0.00 175.29 175.74 1vj6 s VAL 101 N -3.03 3.00 -2.00 1.34 -7.23 -1.26 -4.78 120.40 106.44 1vj6 s VAL 101 Ca -0.01 0.28 0.08 0.00 -1.81 0.00 0.00 61.98 60.52 1vj6 s VAL 101 Cb 0.01 -3.31 0.22 0.00 0.56 0.00 0.00 36.38 33.86 1vj6 s VAL 101 CO -0.07 -0.41 0.92 -2.65 -0.31 0.00 0.00 175.10 172.59