#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 2.11 -0.20 2.12 1.02 -1.26 -5.09 119.74 118.44 1vj6 s LYS 9 Ca 0.00 -0.93 -0.29 0.00 0.02 0.00 0.00 55.97 54.77 1vj6 s LYS 9 Cb 0.00 -2.05 -0.03 0.00 -0.52 0.00 0.00 37.83 35.23 1vj6 s LYS 9 CO 0.00 0.56 1.65 -2.14 -0.92 0.00 0.00 175.35 174.50 1vj6 s PRO 10 N -0.65 3.81 -0.73 -1.68 0.02 -1.26 -3.76 135.00 130.74 1vj6 s PRO 10 Ca 0.10 1.73 -0.00 0.00 0.02 0.00 0.00 61.00 62.85 1vj6 s PRO 10 Cb -0.10 -4.04 -0.00 0.00 0.02 0.00 0.00 34.50 30.37 1vj6 s PRO 10 CO -0.01 -1.28 0.61 0.41 -0.33 0.00 0.00 177.00 176.41 1vj6 n GLY 11 N 4.65 -0.07 3.70 0.52 0.00 -1.24 -5.00 105.19 107.75 1vj6 n GLY 11 Ca 0.19 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 1vj6 n GLY 11 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1vj6 s ASP 12 N -3.81 7.20 -0.11 1.61 2.15 -1.25 -4.73 116.67 117.74 1vj6 s ASP 12 Ca 0.01 1.76 -0.18 0.00 0.43 0.00 0.00 52.55 54.57 1vj6 s ASP 12 Cb -0.00 -2.57 -0.04 0.00 -0.30 0.00 0.00 42.92 40.01 1vj6 s ASP 12 CO 0.45 -0.42 0.48 0.42 -0.17 0.00 0.00 175.17 175.93 1vj6 s THR 13 N 1.46 5.17 -0.16 1.71 -4.23 -1.26 -1.66 115.64 116.68 1vj6 s THR 13 Ca 0.54 0.97 0.01 0.00 -1.18 0.00 0.00 61.69 62.03 1vj6 s THR 13 Cb -0.23 -3.82 0.02 0.00 1.34 0.00 0.00 72.50 69.80 1vj6 s THR 13 CO 0.25 0.34 -0.19 0.72 -0.54 0.00 0.00 174.62 175.20 1vj6 s PHE 14 N 0.52 2.53 -1.00 3.99 -0.71 -0.07 -4.98 117.98 118.26 1vj6 s PHE 14 Ca 0.26 -1.42 -0.18 0.00 -1.04 0.00 0.00 56.93 54.56 1vj6 s PHE 14 Cb -0.15 -1.77 0.13 0.00 -1.21 0.00 0.00 43.02 40.02 1vj6 s PHE 14 CO 0.11 -0.70 1.23 -2.00 -1.34 0.00 0.00 175.22 172.51 1vj6 s GLU 15 N 1.21 3.72 -0.44 1.99 2.12 -1.26 -1.70 118.70 124.33 1vj6 s GLU 15 Ca 0.01 -1.91 -0.25 0.00 0.36 0.00 0.00 54.97 53.19 1vj6 s GLU 15 Cb -0.14 -4.99 0.02 0.00 0.26 0.00 0.00 34.13 29.29 1vj6 s GLU 15 CO -0.09 -1.81 0.89 0.08 -0.54 0.00 0.00 175.26 173.79 1vj6 s VAL 16 N 2.62 4.54 -0.24 3.70 1.01 0.10 -4.86 120.40 127.27 1vj6 s VAL 16 Ca 0.36 0.74 -0.14 0.00 0.00 0.00 0.00 61.98 62.94 1vj6 s VAL 16 Cb -0.04 -4.39 -0.04 0.00 0.00 0.00 0.00 36.38 31.91 1vj6 s VAL 16 CO -0.07 -0.76 0.32 -0.70 0.00 0.00 0.00 175.10 173.89 1vj6 s GLU 17 N 3.59 4.08 0.31 2.72 2.12 -1.26 0.36 118.70 130.63 1vj6 s GLU 17 Ca 0.35 -0.00 0.03 0.00 0.36 0.00 0.00 54.97 55.71 1vj6 s GLU 17 Cb -0.11 -3.58 -0.05 0.00 0.26 0.00 0.00 34.13 30.65 1vj6 s GLU 17 CO 0.24 -0.10 0.10 -0.51 -0.54 0.00 0.00 175.26 174.46 1vj6 s LEU 18 N 1.51 1.86 -0.12 2.70 1.43 -0.03 -4.98 118.68 121.05 1vj6 s LEU 18 Ca 0.14 -1.47 0.02 0.00 -1.03 0.00 0.00 54.13 51.79 1vj6 s LEU 18 Cb -0.15 -0.08 -0.01 0.00 0.03 0.00 0.00 46.19 45.99 1vj6 s LEU 18 CO 0.08 -0.77 -0.18 0.00 0.23 0.00 0.00 176.35 175.71 1vj6 s ALA 19 N -3.50 2.40 0.26 4.21 0.00 -1.26 -1.42 121.76 122.45 1vj6 s ALA 19 Ca 0.34 -0.96 -0.30 0.00 0.00 0.00 0.00 51.96 51.05 1vj6 s ALA 19 Cb 0.07 -1.05 -0.09 0.00 0.00 0.00 0.00 23.12 22.04 1vj6 s ALA 19 CO 0.15 0.19 1.28 0.15 0.00 0.00 0.00 175.76 177.53 1vj6 s LYS 20 N 0.47 4.41 -0.87 0.00 1.02 -1.14 -4.83 119.74 118.80 1vj6 s LYS 20 Ca -0.13 2.08 -0.19 0.00 0.02 0.00 0.00 55.97 57.75 1vj6 s LYS 20 Cb -0.17 -3.15 0.12 0.00 -0.52 0.00 0.00 37.83 34.11 1vj6 s LYS 20 CO 0.05 -0.16 1.08 -0.08 -0.92 0.00 0.00 175.35 175.32 1vj6 s THR 21 N -0.51 4.65 0.00 2.17 -1.32 -0.28 -4.40 115.64 115.96 1vj6 s THR 21 Ca 0.52 -1.33 0.00 0.00 -1.21 0.00 0.00 61.69 59.68 1vj6 s THR 21 Cb -0.37 -4.75 0.00 0.00 -1.51 0.00 0.00 72.50 65.87 1vj6 s THR 21 CO 0.44 -1.49 0.00 0.47 -2.21 0.00 0.00 174.62 171.83 1vj6 n ASP 22 N 6.78 0.00 0.00 8.08 8.00 -1.26 -3.83 116.55 134.32 1vj6 n ASP 22 Ca 0.18 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.68 1vj6 n ASP 22 Cb 0.48 -0.42 0.00 0.00 -0.02 0.00 0.00 41.12 41.16 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 -1.40 -1.31 3.15 0.44 0.00 -1.26 -5.15 105.19 99.65 1vj6 n GLY 23 Ca 0.00 0.34 0.04 0.00 0.00 0.00 0.00 46.02 46.40 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 -0.00 -0.04 1.61 1.04 -1.25 -5.00 113.70 110.06 1vj6 s SER 24 Ca 0.00 0.00 -0.24 0.00 0.48 0.00 0.00 55.95 56.19 1vj6 s SER 24 Cb 0.00 1.00 -0.22 0.00 0.10 0.00 0.00 66.02 66.90 1vj6 s SER 24 CO 0.00 -0.00 1.07 -0.07 0.98 0.00 0.00 173.24 175.22 1vj6 h LEU 25 N 7.04 0.23 0.00 2.42 3.38 -1.93 -0.72 115.31 125.73 1vj6 h LEU 25 Ca -0.13 -0.73 0.00 0.00 0.09 0.00 0.00 57.88 57.11 1vj6 h LEU 25 Cb 1.13 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1vj6 h LEU 25 CO 0.05 0.93 0.00 0.61 0.09 0.00 0.00 178.44 180.12 1vj6 n GLY 26 N 0.92 1.01 3.17 0.83 0.00 -1.26 -0.31 105.19 109.55 1vj6 n GLY 26 Ca -0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.66 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 1.55 -0.22 -0.61 -4.36 -1.26 -1.79 121.20 112.50 1vj6 s ILE 27 Ca 0.00 -0.80 -0.22 0.00 -0.26 0.00 0.00 60.65 59.37 1vj6 s ILE 27 Cb 0.00 -1.32 -0.02 0.00 1.25 0.00 0.00 42.46 42.38 1vj6 s ILE 27 CO 0.00 0.44 0.68 -0.44 0.24 0.00 0.00 174.94 175.86 1vj6 s SER 28 N -0.13 6.69 0.07 4.36 0.01 -0.56 -5.00 113.70 119.13 1vj6 s SER 28 Ca -0.01 0.84 -0.21 0.00 1.31 0.00 0.00 55.95 57.89 1vj6 s SER 28 Cb -0.11 -2.37 -0.06 0.00 0.21 0.00 0.00 66.02 63.69 1vj6 s SER 28 CO 0.02 -0.36 0.62 0.68 0.41 0.00 0.00 173.24 174.60 1vj6 s VAL 29 N 2.31 4.72 0.30 3.43 -7.23 -1.26 -0.52 120.40 122.15 1vj6 s VAL 29 Ca 0.29 1.32 0.04 0.00 -1.81 0.00 0.00 61.98 61.83 1vj6 s VAL 29 Cb -0.16 -3.96 -0.03 0.00 0.56 0.00 0.00 36.38 32.79 1vj6 s VAL 29 CO 0.09 0.50 0.21 0.28 -0.31 0.00 0.00 175.10 175.88 1vj6 s THR 30 N -0.82 0.10 0.00 5.32 -1.32 0.01 -4.81 115.64 114.11 1vj6 s THR 30 Ca 0.31 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.79 1vj6 s THR 30 Cb -0.20 -2.49 0.00 0.00 -1.51 0.00 0.00 72.50 68.30 1vj6 s THR 30 CO 0.20 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.22 1vj6 n GLY 31 N -0.54 0.76 0.00 6.08 0.00 -1.26 -0.57 105.19 109.66 1vj6 n GLY 31 Ca 0.04 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.12 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 -0.49 0.31 -0.02 0.00 -1.02 -4.28 105.19 99.69 1vj6 n GLY 32 Ca 0.00 -1.67 0.17 0.00 0.00 0.00 0.00 46.02 44.52 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 0.41 -0.14 1.61 3.04 -0.65 -0.07 116.25 120.44 1vj6 h VAL 33 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1vj6 h VAL 33 Cb 0.00 1.00 0.00 0.00 -2.01 0.00 0.00 31.29 30.28 1vj6 h VAL 33 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.57 177.15 1vj6 n ASN 34 N -3.67 0.99 -4.55 3.17 3.02 -1.26 -4.78 115.26 108.17 1vj6 n ASN 34 Ca -0.03 -1.77 -0.28 0.00 -0.03 0.00 0.00 54.58 52.47 1vj6 n ASN 34 Cb 0.08 -0.09 -0.09 0.00 -0.61 0.00 0.00 39.78 39.07 1vj6 n ASN 34 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1vj6 s THR 35 N -1.82 1.29 -1.39 3.41 -4.23 -0.04 -5.05 115.64 107.81 1vj6 s THR 35 Ca 0.23 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 58.67 1vj6 s THR 35 Cb 0.12 -2.53 0.07 0.00 1.34 0.00 0.00 72.50 71.50 1vj6 s THR 35 CO 0.17 0.00 2.51 -1.20 -0.54 0.00 0.00 174.62 175.56 1vj6 n SER 36 N -1.10 8.20 -2.27 3.99 7.64 -1.26 -4.82 113.62 123.99 1vj6 n SER 36 Ca -0.10 -3.02 0.00 0.00 1.01 0.00 0.00 58.87 56.76 1vj6 n SER 36 Cb 0.67 -1.41 0.00 0.00 -1.01 0.00 0.00 64.21 62.46 1vj6 n SER 36 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1vj6 n VAL 37 N 2.14 0.00 -1.29 0.44 0.24 -1.26 -4.90 118.33 113.70 1vj6 n VAL 37 Ca 0.66 0.00 -0.37 0.00 -2.04 0.00 0.00 64.34 62.59 1vj6 n VAL 37 Cb 0.24 -1.85 -0.02 0.00 -1.47 0.00 0.00 33.84 30.75 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 -0.49 2.93 -1.72 7.34 1.74 -1.26 -4.74 116.66 120.47 1vj6 n ARG 38 Ca 0.00 -2.12 -0.02 0.00 -0.77 0.00 0.00 57.85 54.94 1vj6 n ARG 38 Cb 0.00 -2.87 -0.00 0.00 -1.02 0.00 0.00 32.46 28.57 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 4.76 -1.02 0.00 -1.55 1.44 -1.26 -4.63 115.22 112.96 1vj6 n HIS 39 Ca 0.62 0.04 0.00 0.00 -2.01 0.00 0.00 57.72 56.37 1vj6 n HIS 39 Cb 0.27 -0.58 0.00 0.00 0.12 0.00 0.00 29.99 29.80 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 -0.32 2.15 0.00 -1.39 0.00 -1.26 -4.66 105.19 99.71 1vj6 n GLY 40 Ca 0.01 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 4.30 3.83 -0.02 0.00 -0.79 -4.65 105.19 107.86 1vj6 n GLY 41 Ca 0.00 -0.83 -0.22 0.00 0.00 0.00 0.00 46.02 44.97 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 -1.71 4.43 0.10 -0.61 1.10 -0.91 -2.44 121.20 121.16 1vj6 s ILE 42 Ca 0.00 -1.38 0.02 0.00 -0.51 0.00 0.00 60.65 58.77 1vj6 s ILE 42 Cb 0.00 -3.41 -0.04 0.00 0.15 0.00 0.00 42.46 39.16 1vj6 s ILE 42 CO 0.00 -0.34 -0.06 -0.31 -2.11 0.00 0.00 174.94 172.12 1vj6 s TYR 43 N -2.14 0.90 -0.06 3.50 1.51 0.26 0.34 117.35 121.67 1vj6 s TYR 43 Ca 0.33 -0.93 -0.17 0.00 -1.01 0.00 0.00 57.07 55.29 1vj6 s TYR 43 Cb -0.08 -0.52 -0.05 0.00 -0.11 0.00 0.00 41.96 41.20 1vj6 s TYR 43 CO 0.25 -0.16 0.46 0.08 -1.11 0.00 0.00 175.55 175.07 1vj6 s VAL 44 N -3.64 5.08 -0.23 0.71 1.01 -0.85 -0.81 120.40 121.67 1vj6 s VAL 44 Ca 0.13 0.94 0.07 0.00 0.00 0.00 0.00 61.98 63.12 1vj6 s VAL 44 Cb 0.05 -3.79 -0.20 0.00 0.00 0.00 0.00 36.38 32.44 1vj6 s VAL 44 CO -0.04 0.44 -0.10 1.17 0.00 0.00 0.00 175.10 176.56 1vj6 n LYS 45 N 2.83 0.67 -3.72 2.72 0.00 0.32 -3.32 118.16 117.65 1vj6 n LYS 45 Ca -0.10 0.10 -0.12 0.00 0.00 0.00 0.00 58.31 58.19 1vj6 n LYS 45 Cb 0.52 -1.53 -0.13 0.00 0.00 0.00 0.00 35.03 33.89 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 -2.51 -0.61 -0.07 3.14 0.00 -1.22 -4.83 121.76 115.65 1vj6 s ALA 46 Ca -0.26 1.06 -0.13 0.00 0.00 0.00 0.00 51.96 52.62 1vj6 s ALA 46 Cb 0.08 -0.67 -0.05 0.00 0.00 0.00 0.00 23.12 22.48 1vj6 s ALA 46 CO 0.68 -0.21 0.33 0.42 0.00 0.00 0.00 175.76 176.99 1vj6 s ILE 47 N 1.28 5.20 0.10 0.00 -1.09 -1.26 -1.50 121.20 123.94 1vj6 s ILE 47 Ca -0.09 0.65 -0.30 0.00 -2.23 0.00 0.00 60.65 58.68 1vj6 s ILE 47 Cb -0.10 -3.64 -0.06 0.00 -1.58 0.00 0.00 42.46 37.08 1vj6 s ILE 47 CO -0.09 0.52 0.94 -0.63 -1.23 0.00 0.00 174.94 174.46 1vj6 s ILE 48 N -0.57 4.53 -0.61 2.92 1.01 -0.74 -4.98 121.20 122.76 1vj6 s ILE 48 Ca 0.20 2.03 -0.26 0.00 0.00 0.00 0.00 60.65 62.63 1vj6 s ILE 48 Cb -0.15 -4.30 -0.10 0.00 0.01 0.00 0.00 42.46 37.92 1vj6 s ILE 48 CO 0.09 0.32 2.42 -2.65 0.00 0.00 0.00 174.94 175.12 1vj6 n PRO 49 N 2.80 0.84 -2.87 2.79 -0.02 -1.26 -3.69 135.00 133.59 1vj6 n PRO 49 Ca 0.02 -0.29 -0.12 0.00 -2.02 0.00 0.00 63.50 61.09 1vj6 n PRO 49 Cb 0.49 -3.45 0.06 0.00 -0.02 0.00 0.00 33.50 30.57 1vj6 n PRO 49 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1vj6 n LYS 50 N 8.88 -2.39 0.00 -0.52 4.76 -1.26 -5.06 118.16 122.58 1vj6 n LYS 50 Ca 0.42 0.65 0.00 0.00 -2.87 0.00 0.00 58.31 56.50 1vj6 n LYS 50 Cb 0.49 -4.81 0.00 0.00 -1.84 0.00 0.00 35.03 28.87 1vj6 n LYS 50 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1vj6 n GLY 51 N -1.26 1.38 0.31 0.72 0.00 -1.24 -4.90 105.19 100.20 1vj6 n GLY 51 Ca -0.09 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.81 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 1.88 0.10 4.61 0.00 0.15 -4.43 120.51 119.82 1vj6 n ALA 52 Ca 0.00 -0.59 -0.13 0.00 0.00 0.00 0.00 53.44 52.72 1vj6 n ALA 52 Cb 0.00 0.25 -0.08 0.00 0.00 0.00 0.00 19.45 19.62 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 -0.26 -0.21 -0.02 0.00 0.00 -0.98 -2.03 119.26 115.76 1vj6 h ALA 53 Ca -0.34 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.46 1vj6 h ALA 53 Cb 1.40 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.27 1vj6 h ALA 53 CO -0.14 -0.53 0.02 1.49 0.00 0.00 0.00 179.25 180.09 1vj6 h GLU 54 N -0.38 0.00 0.00 0.00 4.57 -1.81 -1.79 114.58 115.17 1vj6 h GLU 54 Ca -0.02 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1vj6 h GLU 54 Cb 0.30 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.89 1vj6 h GLU 54 CO 0.04 0.00 0.00 0.45 -1.18 0.00 0.00 179.01 178.32 1vj6 n SER 55 N -4.29 0.63 0.00 1.04 2.88 -0.78 -2.18 113.62 110.92 1vj6 n SER 55 Ca -0.02 0.68 0.00 0.00 -1.33 0.00 0.00 58.87 58.20 1vj6 n SER 55 Cb 0.11 -0.80 0.00 0.00 -0.75 0.00 0.00 64.21 62.77 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 -2.22 0.00 0.00 -3.46 2.03 -0.68 -5.00 116.55 107.22 1vj6 n ASP 56 Ca 0.01 0.66 0.00 0.00 0.52 0.00 0.00 54.79 55.98 1vj6 n ASP 56 Cb 0.19 -0.47 0.00 0.00 -0.72 0.00 0.00 41.12 40.11 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 0.93 0.82 0.11 0.27 0.00 -0.93 -4.90 105.19 101.49 1vj6 n GLY 57 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 4.13 0.00 -6.94 1.61 3.08 -1.87 -3.46 114.38 110.92 1vj6 h ARG 58 Ca 0.00 0.00 -0.51 0.00 0.07 0.00 0.00 59.98 59.54 1vj6 h ARG 58 Cb 0.00 0.00 0.06 0.00 0.08 0.00 0.00 29.97 30.11 1vj6 h ARG 58 CO 0.00 0.72 0.53 0.42 -1.07 0.00 0.00 179.97 180.57 1vj6 s ILE 59 N -2.95 3.01 0.31 2.04 1.01 -1.26 -5.05 121.20 118.32 1vj6 s ILE 59 Ca 0.02 0.86 0.03 0.00 0.00 0.00 0.00 60.65 61.56 1vj6 s ILE 59 Cb 0.09 -3.49 -0.04 0.00 0.01 0.00 0.00 42.46 39.03 1vj6 s ILE 59 CO 0.77 0.09 0.11 -2.28 0.00 0.00 0.00 174.94 173.64 1vj6 s HIS 60 N -1.37 1.70 -1.32 3.97 2.46 -1.26 -4.98 115.29 114.49 1vj6 s HIS 60 Ca 0.57 -1.21 -0.08 0.00 0.47 0.00 0.00 55.06 54.81 1vj6 s HIS 60 Cb -0.33 -1.02 -0.06 0.00 -0.13 0.00 0.00 32.58 31.04 1vj6 s HIS 60 CO 0.41 -0.31 2.92 0.36 -2.47 0.00 0.00 174.74 175.65 1vj6 n LYS 61 N -0.63 3.64 -0.68 2.88 2.85 -1.26 -2.89 118.16 122.07 1vj6 n LYS 61 Ca -0.01 -2.33 -0.00 0.00 -1.05 0.00 0.00 58.31 54.91 1vj6 n LYS 61 Cb 0.66 -2.64 -0.00 0.00 -0.65 0.00 0.00 35.03 32.39 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 2.94 -0.48 3.87 2.58 0.00 -1.21 -4.71 105.19 108.19 1vj6 n GLY 62 Ca 0.70 -0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.49 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 -0.07 5.81 -0.19 1.61 1.01 -1.14 -4.02 116.67 119.67 1vj6 s ASP 63 Ca 0.00 -0.12 -0.09 0.00 0.71 0.00 0.00 52.55 53.05 1vj6 s ASP 63 Cb 0.00 -1.57 -0.05 0.00 1.01 0.00 0.00 42.92 42.31 1vj6 s ASP 63 CO -0.00 -0.03 0.12 -0.60 0.21 0.00 0.00 175.17 174.86 1vj6 s ARG 64 N -3.77 4.13 -0.36 8.23 3.52 -0.78 -2.01 118.95 127.91 1vj6 s ARG 64 Ca 0.33 -0.24 -0.19 0.00 -0.13 0.00 0.00 55.73 55.49 1vj6 s ARG 64 Cb -0.09 -3.37 0.00 0.00 -1.56 0.00 0.00 34.95 29.93 1vj6 s ARG 64 CO 0.26 0.31 0.58 0.08 -0.81 0.00 0.00 175.30 175.72 1vj6 s VAL 65 N 0.33 4.94 -0.16 7.11 1.01 0.15 -0.28 120.40 133.50 1vj6 s VAL 65 Ca 0.07 0.43 0.09 0.00 0.00 0.00 0.00 61.98 62.57 1vj6 s VAL 65 Cb -0.11 -4.04 -0.23 0.00 0.00 0.00 0.00 36.38 32.00 1vj6 s VAL 65 CO -0.01 -0.30 0.19 0.00 0.00 0.00 0.00 175.10 174.98 1vj6 n LEU 66 N 5.92 1.38 -3.78 3.92 -0.00 -0.00 -2.14 117.00 122.30 1vj6 n LEU 66 Ca -0.03 0.10 -0.09 0.00 -0.00 0.00 0.00 56.01 55.99 1vj6 n LEU 66 Cb 0.49 -0.19 -0.04 0.00 -0.00 0.00 0.00 43.42 43.67 1vj6 n LEU 66 CO 0.48 0.64 0.26 0.00 -0.00 0.00 0.00 177.39 178.76 1vj6 s ALA 67 N -2.53 -0.84 -0.09 1.47 0.00 -1.00 -0.43 121.76 118.34 1vj6 s ALA 67 Ca -0.17 -0.32 -0.01 0.00 0.00 0.00 0.00 51.96 51.46 1vj6 s ALA 67 Cb 0.07 0.87 0.03 0.00 0.00 0.00 0.00 23.12 24.09 1vj6 s ALA 67 CO 0.76 -0.81 -0.01 0.08 0.00 0.00 0.00 175.76 175.78 1vj6 s VAL 68 N -3.89 0.52 -1.43 0.00 1.01 -0.24 -0.25 120.40 116.10 1vj6 s VAL 68 Ca 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.07 1vj6 s VAL 68 Cb -0.01 -0.67 0.00 0.00 0.00 0.00 0.00 36.38 35.70 1vj6 s VAL 68 CO -0.01 0.24 0.00 0.59 0.00 0.00 0.00 175.10 175.92 1vj6 n ASN 69 N 5.10 -4.53 -0.02 3.32 3.02 0.04 -0.35 115.26 121.84 1vj6 n ASN 69 Ca -0.08 0.19 -0.00 0.00 -0.03 0.00 0.00 54.58 54.66 1vj6 n ASN 69 Cb 0.50 -3.89 -0.00 0.00 -0.61 0.00 0.00 39.78 35.77 1vj6 n ASN 69 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1vj6 n GLY 70 N -0.71 0.43 3.27 7.41 0.00 -1.26 -5.02 105.19 109.30 1vj6 n GLY 70 Ca -0.18 -0.85 -0.44 0.00 0.00 0.00 0.00 46.02 44.56 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 -2.01 4.85 0.26 1.61 1.01 0.52 -5.06 120.40 121.59 1vj6 s VAL 71 Ca 0.00 -1.79 -0.30 0.00 0.00 0.00 0.00 61.98 59.89 1vj6 s VAL 71 Cb 0.00 -4.12 -0.10 0.00 0.00 0.00 0.00 36.38 32.16 1vj6 s VAL 71 CO 0.00 -0.86 1.30 -0.55 0.00 0.00 0.00 175.10 174.99 1vj6 s SER 72 N 2.97 6.86 -0.18 3.32 0.15 -1.26 -1.08 113.70 124.47 1vj6 s SER 72 Ca 0.07 2.52 0.01 0.00 0.70 0.00 0.00 55.95 59.25 1vj6 s SER 72 Cb -0.26 -2.63 0.26 0.00 -1.71 0.00 0.00 66.02 61.69 1vj6 s SER 72 CO -0.00 -0.51 1.41 0.18 1.20 0.00 0.00 173.24 175.52 1vj6 n LEU 73 N 1.77 4.62 -0.02 3.45 4.77 0.43 -4.69 117.00 127.33 1vj6 n LEU 73 Ca 0.03 -2.40 0.00 0.00 -0.03 0.00 0.00 56.01 53.61 1vj6 n LEU 73 Cb 0.42 -0.67 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 1vj6 n LEU 73 CO 0.58 0.75 0.34 -1.84 -1.33 0.00 0.00 177.39 175.90 1vj6 n GLU 74 N -0.10 0.70 -2.02 3.23 -0.00 -1.26 -1.82 120.64 119.37 1vj6 n GLU 74 Ca 0.24 0.00 -0.03 0.00 -0.00 0.00 0.00 57.16 57.36 1vj6 n GLU 74 Cb 0.94 -1.02 0.06 0.00 -0.00 0.00 0.00 31.44 31.42 1vj6 n GLU 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1vj6 n GLY 75 N 0.20 1.34 3.84 -1.84 0.00 -1.26 -4.57 105.19 102.90 1vj6 n GLY 75 Ca 0.00 -0.10 -0.37 0.00 0.00 0.00 0.00 46.02 45.55 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 0.08 3.82 0.00 4.61 0.00 -0.75 -4.85 121.76 124.66 1vj6 s ALA 76 Ca 0.05 -0.66 0.00 0.00 0.00 0.00 0.00 51.96 51.36 1vj6 s ALA 76 Cb 0.27 -1.98 0.00 0.00 0.00 0.00 0.00 23.12 21.41 1vj6 s ALA 76 CO -0.08 0.54 0.00 -2.37 0.00 0.00 0.00 175.76 173.85 1vj6 n THR 77 N 2.25 0.00 0.16 0.00 5.66 -1.26 -0.04 114.28 121.05 1vj6 n THR 77 Ca -0.19 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 60.67 1vj6 n THR 77 Cb 0.54 -0.56 -0.07 0.00 -1.55 0.00 0.00 70.33 68.69 1vj6 n THR 77 CO 0.00 0.00 0.00 -0.74 -3.05 0.00 0.00 175.07 171.28 1vj6 h HIS 78 N 0.07 -0.90 0.35 1.09 -0.00 -1.94 0.18 115.15 114.00 1vj6 h HIS 78 Ca 0.00 0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 60.37 1vj6 h HIS 78 Cb 0.00 0.37 0.00 0.00 -0.00 0.00 0.00 27.41 27.78 1vj6 h HIS 78 CO 0.00 -0.45 -0.17 0.87 -0.00 0.00 0.00 177.93 178.18 1vj6 h LYS 79 N -0.62 -0.45 -0.92 5.26 6.56 -2.00 -2.38 116.57 122.02 1vj6 h LYS 79 Ca 0.01 0.03 0.10 0.00 -1.06 0.00 0.00 60.65 59.73 1vj6 h LYS 79 Cb 0.61 0.10 -0.08 0.00 -0.57 0.00 0.00 32.23 32.29 1vj6 h LYS 79 CO -0.14 -0.17 0.56 0.37 -2.06 0.00 0.00 179.45 178.01 1vj6 h GLN 80 N -0.70 0.90 -0.52 3.15 -0.00 -1.94 -2.26 115.11 113.74 1vj6 h GLN 80 Ca -0.05 -0.05 -0.08 0.00 -0.00 0.00 0.00 58.65 58.46 1vj6 h GLN 80 Cb 0.49 -0.20 -0.02 0.00 0.00 0.00 0.00 27.48 27.75 1vj6 h GLN 80 CO 0.08 0.60 -0.00 0.00 0.00 0.00 0.00 178.83 179.50 1vj6 h ALA 81 N 1.49 0.70 0.10 3.38 0.00 -0.62 -1.81 119.26 122.50 1vj6 h ALA 81 Ca 0.44 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 55.07 1vj6 h ALA 81 Cb 0.39 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1vj6 h ALA 81 CO -0.25 0.52 -0.15 0.28 0.00 0.00 0.00 179.25 179.66 1vj6 h VAL 82 N 0.79 0.66 -0.64 0.00 2.07 -0.94 -1.78 116.25 116.41 1vj6 h VAL 82 Ca 0.15 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.70 1vj6 h VAL 82 Cb 0.53 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 1vj6 h VAL 82 CO 0.03 0.00 0.42 -0.33 0.02 0.00 0.00 177.57 177.71 1vj6 h GLU 83 N -0.30 0.75 -0.33 1.57 5.08 -1.39 0.34 114.58 120.29 1vj6 h GLU 83 Ca 0.02 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.28 1vj6 h GLU 83 Cb 0.31 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 1vj6 h GLU 83 CO -0.07 0.49 -0.04 1.15 -1.00 0.00 0.00 179.01 179.54 1vj6 h THR 84 N 0.77 1.21 0.15 1.13 2.02 -0.97 -0.65 112.91 116.57 1vj6 h THR 84 Ca 0.25 -0.88 -0.36 0.00 0.77 0.00 0.00 66.41 66.20 1vj6 h THR 84 Cb 0.05 1.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 1vj6 h THR 84 CO -0.07 0.30 -1.87 -0.07 0.37 0.00 0.00 175.52 174.18 1vj6 h LEU 85 N 0.51 0.49 0.00 2.58 3.38 -0.51 -3.42 115.31 118.34 1vj6 h LEU 85 Ca 0.10 -0.90 -0.00 0.00 0.09 0.00 0.00 57.88 57.17 1vj6 h LEU 85 Cb 0.39 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1vj6 h LEU 85 CO 0.02 1.79 -0.00 -0.09 0.09 0.00 0.00 178.44 180.24 1vj6 h ARG 86 N 0.09 -0.00 -1.84 1.13 1.12 -0.36 -3.36 114.38 111.15 1vj6 h ARG 86 Ca -0.38 0.00 -0.21 0.00 -1.11 0.00 0.00 59.98 58.28 1vj6 h ARG 86 Cb 2.06 0.00 -0.08 0.00 -0.01 0.00 0.00 29.97 31.94 1vj6 h ARG 86 CO 0.13 0.88 0.12 -1.71 -3.11 0.00 0.00 179.97 176.29 1vj6 n ASN 87 N -4.64 5.86 -5.00 -3.80 5.15 -0.25 -4.78 115.26 107.79 1vj6 n ASN 87 Ca -0.09 -2.75 -0.19 0.00 -0.60 0.00 0.00 54.58 50.95 1vj6 n ASN 87 Cb 0.43 -1.17 0.04 0.00 -0.53 0.00 0.00 39.78 38.55 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 -0.89 2.51 0.00 -0.44 -4.23 -1.26 -4.97 115.64 106.36 1vj6 s THR 88 Ca 0.30 -0.95 0.00 0.00 -1.18 0.00 0.00 61.69 59.85 1vj6 s THR 88 Cb 0.19 -2.56 0.00 0.00 1.34 0.00 0.00 72.50 71.47 1vj6 s THR 88 CO -0.03 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.66 1vj6 n GLY 89 N -2.13 0.73 0.13 3.99 0.00 -1.26 -5.03 105.19 101.62 1vj6 n GLY 89 Ca 0.12 -0.18 -0.28 0.00 0.00 0.00 0.00 46.02 45.69 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 0.59 -2.69 1.61 -0.06 -1.26 -4.88 117.38 110.69 1vj6 n GLN 90 Ca 0.00 0.34 -0.42 0.00 -2.00 0.00 0.00 57.00 54.92 1vj6 n GLN 90 Cb 0.00 -1.56 -0.03 0.00 -4.06 0.00 0.00 30.24 24.59 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 -2.47 4.81 -0.25 1.69 1.01 -1.26 -2.88 120.40 121.05 1vj6 s VAL 91 Ca -0.36 2.02 0.02 0.00 0.00 0.00 0.00 61.98 63.66 1vj6 s VAL 91 Cb 0.12 -4.29 0.06 0.00 0.00 0.00 0.00 36.38 32.27 1vj6 s VAL 91 CO 0.52 0.15 -0.10 0.68 0.00 0.00 0.00 175.10 176.35 1vj6 s VAL 92 N 1.04 2.01 -0.82 2.92 -7.23 -0.51 -4.93 120.40 112.88 1vj6 s VAL 92 Ca 0.52 -1.48 -0.24 0.00 -1.81 0.00 0.00 61.98 58.97 1vj6 s VAL 92 Cb -0.22 -2.13 0.06 0.00 0.56 0.00 0.00 36.38 34.65 1vj6 s VAL 92 CO 0.28 0.00 1.24 -1.00 -0.31 0.00 0.00 175.10 175.31 1vj6 s HIS 93 N 1.19 2.53 -0.13 2.82 3.76 -1.26 -0.85 115.29 123.35 1vj6 s HIS 93 Ca -0.07 -0.53 -0.29 0.00 -0.15 0.00 0.00 55.06 54.02 1vj6 s HIS 93 Cb -0.19 -4.54 -0.02 0.00 1.11 0.00 0.00 32.58 28.94 1vj6 s HIS 93 CO -0.06 -1.88 1.19 -0.51 -0.85 0.00 0.00 174.74 172.63 1vj6 s LEU 94 N 4.82 4.21 -0.53 0.89 1.43 0.16 -0.78 118.68 128.88 1vj6 s LEU 94 Ca 0.35 1.68 -0.19 0.00 -1.03 0.00 0.00 54.13 54.94 1vj6 s LEU 94 Cb -0.07 -3.55 0.07 0.00 0.03 0.00 0.00 46.19 42.67 1vj6 s LEU 94 CO 0.04 -0.66 0.64 -0.22 0.23 0.00 0.00 176.35 176.38 1vj6 s LEU 95 N 2.85 5.16 0.02 1.79 0.20 0.65 -0.72 118.68 128.63 1vj6 s LEU 95 Ca 0.53 -1.12 0.05 0.00 0.69 0.00 0.00 54.13 54.28 1vj6 s LEU 95 Cb -0.22 -2.38 -0.03 0.00 -0.43 0.00 0.00 46.19 43.13 1vj6 s LEU 95 CO 0.16 -0.95 -0.11 -0.76 -0.29 0.00 0.00 176.35 174.40 1vj6 s LEU 96 N 2.58 2.96 -0.07 -0.68 1.43 -0.69 -0.82 118.68 123.38 1vj6 s LEU 96 Ca 0.13 -0.25 0.05 0.00 -1.03 0.00 0.00 54.13 53.03 1vj6 s LEU 96 Cb -0.21 -1.71 -0.01 0.00 0.03 0.00 0.00 46.19 44.29 1vj6 s LEU 96 CO 0.10 0.27 -0.23 -0.70 0.23 0.00 0.00 176.35 176.01 1vj6 s GLU 97 N -1.42 2.75 -0.05 1.70 2.12 0.61 -0.89 118.70 123.52 1vj6 s GLU 97 Ca 0.16 -0.87 -0.30 0.00 0.36 0.00 0.00 54.97 54.32 1vj6 s GLU 97 Cb -0.11 -2.25 -0.06 0.00 0.26 0.00 0.00 34.13 31.98 1vj6 s GLU 97 CO 0.07 0.32 1.70 0.21 -0.54 0.00 0.00 175.26 177.02 1vj6 s LYS 98 N -0.01 4.14 -1.14 4.30 2.47 -0.66 -1.87 119.74 126.97 1vj6 s LYS 98 Ca -0.08 2.21 -0.07 0.00 -1.56 0.00 0.00 55.97 56.47 1vj6 s LYS 98 Cb -0.15 -4.01 0.26 0.00 -1.46 0.00 0.00 37.83 32.47 1vj6 s LYS 98 CO 0.05 -0.90 1.46 0.41 0.16 0.00 0.00 175.35 176.53 1vj6 n GLY 99 N 4.23 4.69 3.18 5.54 0.00 -1.26 -3.70 105.19 117.86 1vj6 n GLY 99 Ca 0.18 -2.48 -0.11 0.00 0.00 0.00 0.00 46.02 43.61 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 -1.40 0.86 0.05 1.61 0.74 -1.26 -4.77 119.66 115.48 1vj6 s GLN 100 Ca 0.34 -1.35 -0.18 0.00 0.05 0.00 0.00 55.36 54.22 1vj6 s GLN 100 Cb 0.01 -0.22 -0.06 0.00 1.10 0.00 0.00 33.01 33.84 1vj6 s GLN 100 CO 0.03 -0.02 0.52 0.08 -0.55 0.00 0.00 175.29 175.35 1vj6 s VAL 101 N -3.62 4.84 -2.00 1.34 1.01 -1.26 -4.73 120.40 115.98 1vj6 s VAL 101 Ca 0.13 1.10 0.05 0.00 0.00 0.00 0.00 61.98 63.26 1vj6 s VAL 101 Cb 0.05 -3.84 0.15 0.00 0.00 0.00 0.00 36.38 32.74 1vj6 s VAL 101 CO -0.04 0.56 0.78 -2.65 0.00 0.00 0.00 175.10 173.75