#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 2.93 -0.71 0.03 1.02 -1.26 -5.07 119.74 116.68 1vj6 s LYS 9 Ca 0.00 -0.88 -0.26 0.00 0.02 0.00 0.00 55.97 54.85 1vj6 s LYS 9 Cb 0.00 -2.71 -0.03 0.00 -0.52 0.00 0.00 37.83 34.57 1vj6 s LYS 9 CO 0.00 -0.27 1.88 -2.14 -0.92 0.00 0.00 175.35 173.90 1vj6 s PRO 10 N 1.30 2.61 0.00 -1.68 0.02 -1.26 -3.33 135.00 132.65 1vj6 s PRO 10 Ca 0.03 0.29 0.00 0.00 0.02 0.00 0.00 61.00 61.33 1vj6 s PRO 10 Cb -0.14 -4.62 0.00 0.00 0.02 0.00 0.00 34.50 29.75 1vj6 s PRO 10 CO -0.10 -2.95 0.00 0.41 -0.33 0.00 0.00 177.00 174.03 1vj6 n GLY 11 N 6.10 0.69 2.85 0.52 0.00 -1.26 -5.07 105.19 109.02 1vj6 n GLY 11 Ca 0.27 -0.48 -0.22 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.88 1.42 0.09 1.61 2.15 -1.21 -5.09 116.67 114.75 1vj6 s ASP 12 Ca 0.00 -0.14 -0.07 0.00 0.43 0.00 0.00 52.55 52.77 1vj6 s ASP 12 Cb 0.00 -0.51 -0.05 0.00 -0.30 0.00 0.00 42.92 42.05 1vj6 s ASP 12 CO 0.00 -0.12 0.36 0.42 -0.17 0.00 0.00 175.17 175.66 1vj6 s THR 13 N 1.46 5.17 -0.07 1.71 -4.23 -1.26 -3.48 115.64 114.95 1vj6 s THR 13 Ca -0.02 0.20 0.01 0.00 -1.18 0.00 0.00 61.69 60.71 1vj6 s THR 13 Cb -0.13 -3.62 0.02 0.00 1.34 0.00 0.00 72.50 70.11 1vj6 s THR 13 CO -0.03 0.20 -0.09 0.72 -0.54 0.00 0.00 174.62 174.87 1vj6 s PHE 14 N -1.48 1.27 -1.02 3.99 -0.71 -0.24 -5.01 117.98 114.78 1vj6 s PHE 14 Ca 0.35 -0.48 -0.07 0.00 -1.04 0.00 0.00 56.93 55.69 1vj6 s PHE 14 Cb -0.13 -0.99 0.26 0.00 -1.21 0.00 0.00 43.02 40.95 1vj6 s PHE 14 CO 0.20 -0.29 0.98 -1.21 -1.34 0.00 0.00 175.22 173.56 1vj6 s GLU 15 N 0.90 3.86 -0.46 1.99 2.02 -1.26 -0.97 118.70 124.78 1vj6 s GLU 15 Ca -0.11 -3.17 -0.29 0.00 0.02 0.00 0.00 54.97 51.43 1vj6 s GLU 15 Cb -0.15 -4.36 0.02 0.00 0.10 0.00 0.00 34.13 29.74 1vj6 s GLU 15 CO 0.01 -1.25 1.32 0.08 0.02 0.00 0.00 175.26 175.44 1vj6 s VAL 16 N -1.16 3.98 -0.24 2.63 1.01 0.05 -4.79 120.40 121.89 1vj6 s VAL 16 Ca 0.29 0.97 -0.11 0.00 0.00 0.00 0.00 61.98 63.13 1vj6 s VAL 16 Cb -0.09 -4.39 -0.05 0.00 0.00 0.00 0.00 36.38 31.85 1vj6 s VAL 16 CO -0.09 -0.93 0.18 -0.70 0.00 0.00 0.00 175.10 173.56 1vj6 s GLU 17 N 4.88 4.07 0.10 2.72 -6.30 -1.26 0.50 118.70 123.41 1vj6 s GLU 17 Ca 0.55 -0.23 0.02 0.00 -2.50 0.00 0.00 54.97 52.81 1vj6 s GLU 17 Cb -0.11 -3.55 -0.04 0.00 0.00 0.00 0.00 34.13 30.43 1vj6 s GLU 17 CO 0.31 0.03 -0.08 -0.51 0.02 0.00 0.00 175.26 175.04 1vj6 s LEU 18 N 1.14 2.48 -0.20 2.70 1.43 -0.30 -4.98 118.68 120.95 1vj6 s LEU 18 Ca 0.08 -0.95 -0.02 0.00 -1.03 0.00 0.00 54.13 52.21 1vj6 s LEU 18 Cb -0.14 -0.14 -0.00 0.00 0.03 0.00 0.00 46.19 45.94 1vj6 s LEU 18 CO 0.05 -0.40 -0.09 0.00 0.23 0.00 0.00 176.35 176.14 1vj6 s ALA 19 N -3.28 2.68 0.53 4.21 0.00 -1.26 -0.82 121.76 123.81 1vj6 s ALA 19 Ca 0.10 -1.14 -0.22 0.00 0.00 0.00 0.00 51.96 50.70 1vj6 s ALA 19 Cb 0.03 -1.52 -0.05 0.00 0.00 0.00 0.00 23.12 21.58 1vj6 s ALA 19 CO -0.03 -0.32 1.30 0.15 0.00 0.00 0.00 175.76 176.86 1vj6 s LYS 20 N 1.29 3.29 -0.94 0.00 3.01 -1.22 -4.87 119.74 120.30 1vj6 s LYS 20 Ca 0.03 2.10 -0.17 0.00 -1.01 0.00 0.00 55.97 56.93 1vj6 s LYS 20 Cb -0.14 -2.28 0.16 0.00 -1.01 0.00 0.00 37.83 34.56 1vj6 s LYS 20 CO -0.04 -1.03 1.07 -0.08 0.51 0.00 0.00 175.35 175.78 1vj6 s THR 21 N -1.38 5.02 -0.99 2.17 -1.32 0.12 -4.60 115.64 114.66 1vj6 s THR 21 Ca 0.70 -1.97 -0.14 0.00 -1.21 0.00 0.00 61.69 59.07 1vj6 s THR 21 Cb -0.37 -4.71 0.01 0.00 -1.51 0.00 0.00 72.50 65.92 1vj6 s THR 21 CO 0.44 -1.39 0.68 -0.67 -2.21 0.00 0.00 174.62 171.47 1vj6 n ASP 22 N 5.70 -5.13 -1.57 8.08 2.03 -1.26 -3.75 116.55 120.64 1vj6 n ASP 22 Ca 0.23 -0.96 -0.03 0.00 0.52 0.00 0.00 54.79 54.54 1vj6 n ASP 22 Cb 0.48 -2.50 0.02 0.00 -0.72 0.00 0.00 41.12 38.39 1vj6 n ASP 22 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1vj6 n GLY 23 N -1.79 0.35 0.00 0.27 0.00 -1.26 -5.05 105.19 97.71 1vj6 n GLY 23 Ca -0.17 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.53 0.00 -0.02 1.61 7.64 -1.25 -5.00 113.62 115.07 1vj6 n SER 24 Ca -0.04 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.68 1vj6 n SER 24 Cb 0.53 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.63 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 0.41 0.00 -3.43 3.38 -1.93 0.37 115.31 114.10 1vj6 h LEU 25 Ca 0.00 -0.70 0.00 0.00 0.09 0.00 0.00 57.88 57.27 1vj6 h LEU 25 Cb 0.00 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1vj6 h LEU 25 CO 0.00 1.05 0.00 0.61 0.09 0.00 0.00 178.44 180.19 1vj6 n GLY 26 N 0.85 0.82 3.04 0.83 0.00 -1.26 -0.52 105.19 108.95 1vj6 n GLY 26 Ca -0.09 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.94 1.13 -0.39 -0.61 -4.36 -1.26 -2.72 121.20 112.05 1vj6 s ILE 27 Ca 0.00 -0.50 -0.21 0.00 -0.26 0.00 0.00 60.65 59.69 1vj6 s ILE 27 Cb 0.00 -1.02 0.01 0.00 1.25 0.00 0.00 42.46 42.70 1vj6 s ILE 27 CO 0.00 0.35 0.64 -0.44 0.24 0.00 0.00 174.94 175.73 1vj6 s SER 28 N 0.50 6.39 0.23 4.36 0.01 -0.60 -5.03 113.70 119.56 1vj6 s SER 28 Ca -0.11 -0.02 -0.29 0.00 1.31 0.00 0.00 55.95 56.84 1vj6 s SER 28 Cb -0.14 -2.33 -0.09 0.00 0.21 0.00 0.00 66.02 63.67 1vj6 s SER 28 CO 0.03 -0.67 0.91 0.68 0.41 0.00 0.00 173.24 174.60 1vj6 s VAL 29 N 2.77 4.13 0.27 3.43 -7.23 -1.26 -0.94 120.40 121.58 1vj6 s VAL 29 Ca 0.24 2.00 0.03 0.00 -1.81 0.00 0.00 61.98 62.44 1vj6 s VAL 29 Cb -0.14 -4.28 -0.06 0.00 0.56 0.00 0.00 36.38 32.46 1vj6 s VAL 29 CO 0.16 0.49 0.04 0.28 -0.31 0.00 0.00 175.10 175.77 1vj6 s THR 30 N -1.19 1.00 0.00 5.32 -1.32 0.09 -4.77 115.64 114.78 1vj6 s THR 30 Ca 0.40 -2.02 0.00 0.00 -1.21 0.00 0.00 61.69 58.87 1vj6 s THR 30 Cb -0.25 -2.58 0.00 0.00 -1.51 0.00 0.00 72.50 68.16 1vj6 s THR 30 CO 0.31 -0.13 0.00 0.61 -2.21 0.00 0.00 174.62 173.20 1vj6 n GLY 31 N -0.53 -0.36 0.00 6.08 0.00 -1.26 -1.71 105.19 107.41 1vj6 n GLY 31 Ca -0.03 -1.09 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 2.48 0.08 -0.02 0.00 -1.23 -4.07 105.19 102.42 1vj6 n GLY 32 Ca 0.00 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.07 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 0.94 0.00 -0.25 1.61 3.14 0.53 -3.55 118.33 120.74 1vj6 n VAL 33 Ca 0.00 0.00 0.03 0.00 -2.96 0.00 0.00 64.34 61.41 1vj6 n VAL 33 Cb 0.00 -0.23 0.25 0.00 -1.06 0.00 0.00 33.84 32.81 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 0.07 0.86 -3.74 6.55 7.08 -1.86 -3.44 115.58 121.10 1vj6 h ASN 34 Ca 0.00 -0.01 -0.18 0.00 -3.08 0.00 0.00 56.30 53.03 1vj6 h ASN 34 Cb 0.04 -0.20 -0.03 0.00 -2.08 0.00 0.00 38.32 36.06 1vj6 h ASN 34 CO 0.00 0.59 -0.12 0.35 -2.08 0.00 0.00 177.43 176.18 1vj6 n THR 35 N -4.45 0.00 -2.24 6.14 -2.24 -1.23 -5.04 114.28 105.21 1vj6 n THR 35 Ca 0.11 -0.65 -0.32 0.00 -2.27 0.00 0.00 64.05 60.92 1vj6 n THR 35 Cb 0.12 -0.02 -0.04 0.00 -2.10 0.00 0.00 70.33 68.29 1vj6 n THR 35 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1vj6 s SER 36 N -1.81 5.65 0.49 3.42 0.15 -1.26 -4.94 113.70 115.40 1vj6 s SER 36 Ca 0.03 -1.03 0.09 0.00 0.70 0.00 0.00 55.95 55.73 1vj6 s SER 36 Cb -0.00 -2.57 0.04 0.00 -1.71 0.00 0.00 66.02 61.79 1vj6 s SER 36 CO 0.02 -2.29 0.66 -0.69 1.20 0.00 0.00 173.24 172.13 1vj6 s VAL 37 N 8.21 2.56 -1.14 4.45 1.01 -1.26 -4.98 120.40 129.24 1vj6 s VAL 37 Ca 0.61 -1.03 -0.23 0.00 0.00 0.00 0.00 61.98 61.34 1vj6 s VAL 37 Cb -0.04 -2.59 -0.10 0.00 0.00 0.00 0.00 36.38 33.66 1vj6 s VAL 37 CO -0.03 0.00 1.93 0.54 0.00 0.00 0.00 175.10 177.54 1vj6 n ARG 38 N -2.01 1.59 0.00 2.72 1.74 -1.26 -4.40 116.66 115.04 1vj6 n ARG 38 Ca 0.11 -2.41 0.00 0.00 -0.77 0.00 0.00 57.85 54.78 1vj6 n ARG 38 Cb 0.60 -3.65 0.00 0.00 -1.02 0.00 0.00 32.46 28.40 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 13.71 0.00 0.00 -1.55 -0.00 -1.26 -4.52 115.22 121.59 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 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.45 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 -0.52 0.76 1.57 0.00 -1.26 -4.60 105.19 101.14 1vj6 n GLY 40 Ca 0.00 0.16 0.09 0.00 0.00 0.00 0.00 46.02 46.28 1vj6 n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vj6 n GLY 41 N 0.00 -2.70 3.36 -0.02 0.00 -1.11 -4.69 105.19 100.03 1vj6 n GLY 41 Ca 0.00 -1.26 -0.22 0.00 0.00 0.00 0.00 46.02 44.54 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 -3.21 1.93 0.07 -0.61 1.10 -0.94 -3.54 121.20 115.99 1vj6 s ILE 42 Ca 0.00 -2.06 0.04 0.00 -0.51 0.00 0.00 60.65 58.12 1vj6 s ILE 42 Cb 0.00 -1.97 -0.03 0.00 0.15 0.00 0.00 42.46 40.61 1vj6 s ILE 42 CO 0.00 -0.38 -0.11 -0.31 -2.11 0.00 0.00 174.94 172.03 1vj6 s TYR 43 N -2.30 1.00 -0.04 3.50 1.51 -0.69 -0.63 117.35 119.69 1vj6 s TYR 43 Ca 0.20 -0.53 -0.24 0.00 -1.01 0.00 0.00 57.07 55.48 1vj6 s TYR 43 Cb -0.05 -0.56 -0.04 0.00 -0.11 0.00 0.00 41.96 41.20 1vj6 s TYR 43 CO 0.08 -0.01 0.73 0.08 -1.11 0.00 0.00 175.55 175.32 1vj6 s VAL 44 N -1.67 4.98 -0.17 0.71 1.01 -0.32 -0.73 120.40 124.21 1vj6 s VAL 44 Ca -0.02 1.51 -0.15 0.00 0.00 0.00 0.00 61.98 63.32 1vj6 s VAL 44 Cb -0.08 -4.07 -0.22 0.00 0.00 0.00 0.00 36.38 32.01 1vj6 s VAL 44 CO 0.01 0.27 0.26 1.17 0.00 0.00 0.00 175.10 176.81 1vj6 n LYS 45 N 3.59 0.65 -3.88 2.72 0.00 -0.12 -0.21 118.16 120.91 1vj6 n LYS 45 Ca -0.01 0.44 -0.11 0.00 0.00 0.00 0.00 58.31 58.63 1vj6 n LYS 45 Cb 0.51 -1.73 -0.12 0.00 0.00 0.00 0.00 35.03 33.69 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 -2.45 -0.12 -0.29 3.14 0.00 -1.19 -4.42 121.76 116.43 1vj6 s ALA 46 Ca -0.26 -0.04 -0.09 0.00 0.00 0.00 0.00 51.96 51.56 1vj6 s ALA 46 Cb 0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 23.12 23.16 1vj6 s ALA 46 CO 0.66 -0.09 0.12 0.42 0.00 0.00 0.00 175.76 176.88 1vj6 s ILE 47 N -0.53 4.49 0.44 0.00 -1.09 -1.26 -1.55 121.20 121.69 1vj6 s ILE 47 Ca -0.06 -0.35 -0.13 0.00 -2.23 0.00 0.00 60.65 57.88 1vj6 s ILE 47 Cb -0.04 -3.23 -0.07 0.00 -1.58 0.00 0.00 42.46 37.54 1vj6 s ILE 47 CO 0.00 0.15 0.84 0.27 -1.23 0.00 0.00 174.94 174.98 1vj6 s ILE 48 N 1.61 4.70 -0.41 2.92 -4.36 -1.10 -4.94 121.20 119.61 1vj6 s ILE 48 Ca 0.05 0.82 -0.28 0.00 -0.26 0.00 0.00 60.65 60.98 1vj6 s ILE 48 Cb -0.16 -3.73 -0.02 0.00 1.25 0.00 0.00 42.46 39.79 1vj6 s ILE 48 CO 0.05 -0.58 1.86 -2.84 0.24 0.00 0.00 174.94 173.67 1vj6 s PRO 49 N -3.93 3.06 -1.02 0.37 0.02 -1.26 -4.16 135.00 128.09 1vj6 s PRO 49 Ca 0.54 1.21 -0.17 0.00 0.02 0.00 0.00 61.00 62.60 1vj6 s PRO 49 Cb -0.10 -4.27 0.02 0.00 0.02 0.00 0.00 34.50 30.16 1vj6 s PRO 49 CO 0.31 -2.18 0.65 1.63 -0.33 0.00 0.00 177.00 177.08 1vj6 n LYS 50 N 8.67 -0.93 0.00 5.54 5.02 -1.26 -4.99 118.16 130.21 1vj6 n LYS 50 Ca 0.23 0.45 0.00 0.00 -2.02 0.00 0.00 58.31 56.97 1vj6 n LYS 50 Cb 0.49 -2.56 0.00 0.00 -0.02 0.00 0.00 35.03 32.94 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 -1.86 1.17 0.19 0.72 0.00 -1.26 -4.85 105.19 99.30 1vj6 n GLY 51 Ca -0.21 0.00 0.00 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 2.16 -0.03 4.61 0.00 0.16 -4.75 120.51 119.67 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 0.41 -0.10 0.00 0.00 0.00 0.00 19.45 19.77 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 0.05 0.00 0.00 0.00 -1.09 -2.98 119.26 115.24 1vj6 h ALA 53 Ca 0.00 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 1vj6 h ALA 53 Cb 0.82 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 1vj6 h ALA 53 CO 0.00 -0.14 -0.11 1.49 0.00 0.00 0.00 179.25 180.50 1vj6 h GLU 54 N -0.42 0.00 0.00 0.00 4.81 -1.81 -1.97 114.58 115.18 1vj6 h GLU 54 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1vj6 h GLU 54 Cb 0.61 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.99 1vj6 h GLU 54 CO 0.01 0.11 0.00 0.43 -0.73 0.00 0.00 179.01 178.83 1vj6 n SER 55 N -4.41 0.00 0.00 1.04 7.64 -1.13 -2.65 113.62 114.11 1vj6 n SER 55 Ca -0.03 -0.25 0.00 0.00 1.01 0.00 0.00 58.87 59.60 1vj6 n SER 55 Cb 0.18 -0.12 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 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 -1.12 0.00 0.00 6.43 2.03 -0.74 -5.04 116.55 118.12 1vj6 n ASP 56 Ca 0.10 0.21 0.00 0.00 0.52 0.00 0.00 54.79 55.61 1vj6 n ASP 56 Cb 0.08 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.48 1vj6 n ASP 56 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1vj6 n GLY 57 N 1.19 1.75 0.18 0.27 0.00 -1.08 -5.02 105.19 102.48 1vj6 n GLY 57 Ca 0.00 -0.16 0.05 0.00 0.00 0.00 0.00 46.02 45.91 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 -6.87 1.61 3.08 -1.88 -3.46 114.38 106.86 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 0.04 0.00 0.08 0.00 0.00 29.97 30.09 1vj6 h ARG 58 CO 0.00 0.40 0.53 0.42 -1.07 0.00 0.00 179.97 180.25 1vj6 s ILE 59 N -3.61 3.16 0.00 2.04 1.01 -1.26 -5.06 121.20 117.49 1vj6 s ILE 59 Ca -0.00 1.11 0.00 0.00 0.00 0.00 0.00 60.65 61.76 1vj6 s ILE 59 Cb 0.11 -3.68 0.00 0.00 0.01 0.00 0.00 42.46 38.90 1vj6 s ILE 59 CO 0.69 0.22 0.00 1.57 0.00 0.00 0.00 174.94 177.42 1vj6 n HIS 60 N 0.72 0.00 -2.78 3.97 -0.00 -1.26 -4.99 115.22 110.88 1vj6 n HIS 60 Ca 0.01 0.00 -0.41 0.00 0.46 0.00 0.00 57.72 57.78 1vj6 n HIS 60 Cb 0.44 0.00 -0.05 0.00 -0.12 0.00 0.00 29.99 30.27 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 -1.08 4.68 0.00 1.57 1.02 -1.26 -3.53 119.74 121.14 1vj6 s LYS 61 Ca 0.00 1.39 0.00 0.00 0.02 0.00 0.00 55.97 57.38 1vj6 s LYS 61 Cb 0.00 -3.36 0.00 0.00 -0.52 0.00 0.00 37.83 33.95 1vj6 s LYS 61 CO 0.00 0.27 0.00 0.41 -0.92 0.00 0.00 175.35 175.11 1vj6 n GLY 62 N 2.17 0.74 3.80 -3.33 0.00 0.71 -4.93 105.19 104.35 1vj6 n GLY 62 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.77 6.10 -0.31 1.61 1.01 -1.23 -4.21 116.67 116.87 1vj6 s ASP 63 Ca 0.00 1.92 -0.08 0.00 0.71 0.00 0.00 52.55 55.09 1vj6 s ASP 63 Cb 0.00 -2.55 0.01 0.00 1.01 0.00 0.00 42.92 41.38 1vj6 s ASP 63 CO 0.00 -0.95 0.13 -0.60 0.21 0.00 0.00 175.17 173.96 1vj6 s ARG 64 N -3.51 3.15 -0.26 8.23 3.00 -0.31 -1.18 118.95 128.07 1vj6 s ARG 64 Ca 0.67 -0.84 -0.17 0.00 -1.00 0.00 0.00 55.73 54.39 1vj6 s ARG 64 Cb -0.17 -3.50 -0.03 0.00 0.00 0.00 0.00 34.95 31.25 1vj6 s ARG 64 CO 0.26 -0.47 0.49 0.54 0.00 0.00 0.00 175.30 176.12 1vj6 s VAL 65 N 1.55 5.09 -0.19 7.11 0.11 0.19 -0.03 120.40 134.23 1vj6 s VAL 65 Ca 0.03 0.83 -0.02 0.00 -2.93 0.00 0.00 61.98 59.89 1vj6 s VAL 65 Cb -0.17 -3.81 -0.22 0.00 -1.53 0.00 0.00 36.38 30.65 1vj6 s VAL 65 CO 0.05 0.10 0.08 0.00 -3.33 0.00 0.00 175.10 172.00 1vj6 n LEU 66 N 5.48 2.77 -3.85 2.54 -0.00 0.22 -2.22 117.00 121.94 1vj6 n LEU 66 Ca -0.05 0.04 -0.12 0.00 -0.00 0.00 0.00 56.01 55.89 1vj6 n LEU 66 Cb 0.50 -1.00 -0.10 0.00 -0.00 0.00 0.00 43.42 42.82 1vj6 n LEU 66 CO 0.40 0.89 -0.14 0.00 -0.00 0.00 0.00 177.39 178.54 1vj6 s ALA 67 N -2.54 -0.42 -0.14 1.47 0.00 -1.09 -1.62 121.76 117.42 1vj6 s ALA 67 Ca -0.28 -0.00 -0.01 0.00 0.00 0.00 0.00 51.96 51.67 1vj6 s ALA 67 Cb 0.08 0.07 0.03 0.00 0.00 0.00 0.00 23.12 23.30 1vj6 s ALA 67 CO 0.69 -0.21 -0.06 0.08 0.00 0.00 0.00 175.76 176.26 1vj6 s VAL 68 N -1.27 1.03 -1.44 0.00 1.01 0.91 0.02 120.40 120.67 1vj6 s VAL 68 Ca -0.13 -0.43 -0.14 0.00 0.00 0.00 0.00 61.98 61.27 1vj6 s VAL 68 Cb -0.07 -1.14 0.12 0.00 0.00 0.00 0.00 36.38 35.30 1vj6 s VAL 68 CO 0.02 0.25 0.60 -0.46 0.00 0.00 0.00 175.10 175.51 1vj6 n ASN 69 N 4.92 -3.17 0.00 3.32 2.04 0.21 -1.44 115.26 121.13 1vj6 n ASN 69 Ca -0.12 -0.69 0.00 0.00 -0.44 0.00 0.00 54.58 53.34 1vj6 n ASN 69 Cb 0.49 -2.63 0.00 0.00 -2.53 0.00 0.00 39.78 35.11 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 -1.20 0.78 3.01 4.83 0.00 -1.26 -4.93 105.19 106.42 1vj6 n GLY 70 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.11 2.00 0.36 1.61 1.01 -0.52 -5.09 120.40 117.65 1vj6 s VAL 71 Ca 0.00 -1.80 -0.28 0.00 0.00 0.00 0.00 61.98 59.90 1vj6 s VAL 71 Cb 0.00 -2.29 -0.11 0.00 0.00 0.00 0.00 36.38 33.98 1vj6 s VAL 71 CO 0.00 -0.29 1.50 -0.55 0.00 0.00 0.00 175.10 175.76 1vj6 s SER 72 N 1.12 6.36 -1.45 3.32 0.15 -1.26 -0.07 113.70 121.88 1vj6 s SER 72 Ca -0.00 3.02 -0.09 0.00 0.70 0.00 0.00 55.95 59.58 1vj6 s SER 72 Cb -0.19 -2.66 -0.08 0.00 -1.71 0.00 0.00 66.02 61.38 1vj6 s SER 72 CO -0.08 -0.87 2.74 0.18 1.20 0.00 0.00 173.24 176.41 1vj6 n LEU 73 N 0.73 7.79 -4.58 3.45 4.77 -0.64 -4.90 117.00 123.62 1vj6 n LEU 73 Ca 0.02 -4.00 -0.42 0.00 -0.03 0.00 0.00 56.01 51.58 1vj6 n LEU 73 Cb 0.39 -1.45 -0.02 0.00 -2.33 0.00 0.00 43.42 40.01 1vj6 n LEU 73 CO 0.63 1.69 1.14 -0.70 -1.33 0.00 0.00 177.39 178.82 1vj6 s GLU 74 N 2.51 3.43 -0.88 3.23 -6.30 -1.26 -2.75 118.70 116.67 1vj6 s GLU 74 Ca 0.62 0.26 0.00 0.00 -2.50 0.00 0.00 54.97 53.35 1vj6 s GLU 74 Cb 0.16 -4.06 0.00 0.00 0.00 0.00 0.00 34.13 30.23 1vj6 s GLU 74 CO -0.05 -1.80 0.00 0.41 0.02 0.00 0.00 175.26 173.84 1vj6 n GLY 75 N 5.15 0.93 3.80 -1.50 0.00 -1.26 -5.00 105.19 107.30 1vj6 n GLY 75 Ca 0.09 -0.64 -0.38 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.33 3.49 0.00 4.61 0.00 -1.13 -4.77 121.76 121.63 1vj6 s ALA 76 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.16 1vj6 s ALA 76 Cb 0.00 -2.81 0.00 0.00 0.00 0.00 0.00 23.12 20.31 1vj6 s ALA 76 CO 0.00 0.34 0.00 0.25 0.00 0.00 0.00 175.76 176.35 1vj6 n THR 77 N 1.43 0.00 0.02 0.00 -2.24 -1.26 -0.35 114.28 111.88 1vj6 n THR 77 Ca -0.06 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.59 1vj6 n THR 77 Cb 0.50 -0.48 -0.09 0.00 -2.10 0.00 0.00 70.33 68.15 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 0.00 -0.07 0.17 4.78 2.76 -1.89 -1.54 115.15 119.36 1vj6 h HIS 78 Ca 0.00 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.16 1vj6 h HIS 78 Cb 0.00 0.02 0.00 0.00 1.55 0.00 0.00 27.41 28.98 1vj6 h HIS 78 CO 0.00 0.37 -0.08 -0.22 -1.30 0.00 0.00 177.93 176.69 1vj6 h LYS 79 N -0.52 -0.22 -0.47 5.26 3.64 -1.96 -2.25 116.57 120.06 1vj6 h LYS 79 Ca -0.01 0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.34 1vj6 h LYS 79 Cb 0.46 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.31 1vj6 h LYS 79 CO 0.01 -0.12 0.08 0.37 -2.27 0.00 0.00 179.45 177.52 1vj6 h GLN 80 N -0.27 0.72 -0.52 1.90 4.15 -1.92 -1.33 115.11 117.83 1vj6 h GLN 80 Ca -0.02 -0.15 -0.07 0.00 0.77 0.00 0.00 58.65 59.18 1vj6 h GLN 80 Cb 0.21 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.77 1vj6 h GLN 80 CO 0.04 0.68 0.07 0.00 -1.93 0.00 0.00 178.83 177.68 1vj6 h ALA 81 N 1.40 0.70 -0.17 3.38 0.00 -1.27 -1.66 119.26 121.63 1vj6 h ALA 81 Ca 0.15 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.84 1vj6 h ALA 81 Cb 0.31 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1vj6 h ALA 81 CO 0.00 0.45 -0.02 0.28 0.00 0.00 0.00 179.25 179.97 1vj6 h VAL 82 N 0.76 0.86 0.00 0.00 2.07 -0.82 -1.20 116.25 117.92 1vj6 h VAL 82 Ca 0.16 -0.01 -0.03 0.00 0.82 0.00 0.00 66.70 67.63 1vj6 h VAL 82 Cb 0.43 0.82 -0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1vj6 h VAL 82 CO 0.01 0.01 -0.16 -0.33 0.02 0.00 0.00 177.57 177.12 1vj6 h GLU 83 N 0.04 0.00 0.00 1.57 5.08 -1.22 0.33 114.58 120.38 1vj6 h GLU 83 Ca 0.08 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.31 1vj6 h GLU 83 Cb 0.11 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 1vj6 h GLU 83 CO -0.15 0.16 -0.64 1.15 -1.00 0.00 0.00 179.01 178.53 1vj6 h THR 84 N 0.00 1.26 0.03 1.13 2.02 -0.68 -2.19 112.91 114.47 1vj6 h THR 84 Ca -0.00 -2.35 -0.26 0.00 0.77 0.00 0.00 66.41 64.57 1vj6 h THR 84 Cb 0.39 2.34 -0.03 0.00 -1.74 0.00 0.00 68.15 69.12 1vj6 h THR 84 CO 0.02 0.62 -1.40 -0.07 0.37 0.00 0.00 175.52 175.07 1vj6 h LEU 85 N 0.00 0.10 0.14 2.58 3.38 -0.73 -3.44 115.31 117.35 1vj6 h LEU 85 Ca -0.01 -0.62 -0.32 0.00 0.09 0.00 0.00 57.88 57.02 1vj6 h LEU 85 Cb 1.29 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.01 1vj6 h LEU 85 CO 0.08 1.57 -1.59 -0.09 0.09 0.00 0.00 178.44 178.50 1vj6 h ARG 86 N -0.75 0.31 -1.36 1.13 1.12 -0.48 -3.36 114.38 110.98 1vj6 h ARG 86 Ca -0.36 -0.52 -0.34 0.00 -1.11 0.00 0.00 59.98 57.65 1vj6 h ARG 86 Cb 1.47 0.19 -0.16 0.00 -0.01 0.00 0.00 29.97 31.47 1vj6 h ARG 86 CO -0.14 1.19 0.44 -1.71 -3.11 0.00 0.00 179.97 176.64 1vj6 n ASN 87 N -3.50 5.82 -5.04 -3.80 2.85 -0.82 -4.84 115.26 105.93 1vj6 n ASN 87 Ca -0.19 -3.07 -0.20 0.00 -0.11 0.00 0.00 54.58 51.02 1vj6 n ASN 87 Cb 1.06 -0.96 0.07 0.00 1.24 0.00 0.00 39.78 41.18 1vj6 n ASN 87 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 1vj6 s THR 88 N -2.35 2.05 0.00 -0.44 -4.23 -1.26 -4.97 115.64 104.44 1vj6 s THR 88 Ca 0.33 -1.01 0.00 0.00 -1.18 0.00 0.00 61.69 59.83 1vj6 s THR 88 Cb 0.27 -2.06 0.00 0.00 1.34 0.00 0.00 72.50 72.05 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 -2.27 1.05 0.05 3.99 0.00 -1.26 -5.05 105.19 101.69 1vj6 n GLY 89 Ca 0.16 -0.98 -0.02 0.00 0.00 0.00 0.00 46.02 45.19 1vj6 n GLY 89 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1vj6 h GLN 90 N 0.00 0.00 -6.28 1.61 4.15 -1.98 -3.45 115.11 109.16 1vj6 h GLN 90 Ca 0.00 0.00 -0.55 0.00 0.77 0.00 0.00 58.65 58.87 1vj6 h GLN 90 Cb 0.00 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.66 1vj6 h GLN 90 CO 0.00 0.00 0.73 0.08 -1.93 0.00 0.00 178.83 177.71 1vj6 s VAL 91 N -1.68 4.30 -0.25 2.39 1.01 -1.26 -3.39 120.40 121.52 1vj6 s VAL 91 Ca -0.06 1.61 -0.02 0.00 0.00 0.00 0.00 61.98 63.52 1vj6 s VAL 91 Cb 0.01 -4.03 0.03 0.00 0.00 0.00 0.00 36.38 32.38 1vj6 s VAL 91 CO 0.08 -0.03 -0.05 -0.69 0.00 0.00 0.00 175.10 174.41 1vj6 s VAL 92 N 2.43 2.91 -0.44 2.92 1.01 -0.00 -4.86 120.40 124.37 1vj6 s VAL 92 Ca 0.55 -1.03 -0.24 0.00 0.00 0.00 0.00 61.98 61.26 1vj6 s VAL 92 Cb -0.24 -2.49 0.02 0.00 0.00 0.00 0.00 36.38 33.68 1vj6 s VAL 92 CO 0.20 0.18 0.82 -1.00 0.00 0.00 0.00 175.10 175.31 1vj6 s HIS 93 N 1.33 2.99 -0.43 5.22 3.76 -1.26 -1.15 115.29 125.74 1vj6 s HIS 93 Ca -0.00 0.28 -0.24 0.00 -0.15 0.00 0.00 55.06 54.95 1vj6 s HIS 93 Cb -0.17 -3.71 0.02 0.00 1.11 0.00 0.00 32.58 29.83 1vj6 s HIS 93 CO -0.04 -0.98 0.83 -0.51 -0.85 0.00 0.00 174.74 173.19 1vj6 s LEU 94 N 3.39 4.15 -0.72 0.89 1.43 0.18 -0.62 118.68 127.38 1vj6 s LEU 94 Ca 0.32 0.08 -0.23 0.00 -1.03 0.00 0.00 54.13 53.27 1vj6 s LEU 94 Cb -0.12 -3.05 0.07 0.00 0.03 0.00 0.00 46.19 43.12 1vj6 s LEU 94 CO 0.23 -0.91 1.06 -0.22 0.23 0.00 0.00 176.35 176.74 1vj6 s LEU 95 N 3.39 4.20 -0.11 1.79 0.20 0.10 -0.77 118.68 127.49 1vj6 s LEU 95 Ca 0.32 -1.04 -0.04 0.00 0.69 0.00 0.00 54.13 54.06 1vj6 s LEU 95 Cb -0.12 -2.45 -0.04 0.00 -0.43 0.00 0.00 46.19 43.16 1vj6 s LEU 95 CO 0.22 -1.47 0.04 -0.76 -0.29 0.00 0.00 176.35 174.09 1vj6 s LEU 96 N 4.25 3.78 0.09 -0.68 1.43 -0.15 -0.61 118.68 126.80 1vj6 s LEU 96 Ca 0.27 0.19 0.09 0.00 -1.03 0.00 0.00 54.13 53.65 1vj6 s LEU 96 Cb -0.13 -1.90 -0.04 0.00 0.03 0.00 0.00 46.19 44.16 1vj6 s LEU 96 CO 0.08 0.34 -0.21 -0.70 0.23 0.00 0.00 176.35 176.09 1vj6 s GLU 97 N -0.66 1.77 0.25 1.70 2.12 0.95 -1.08 118.70 123.75 1vj6 s GLU 97 Ca 0.11 -1.16 -0.31 0.00 0.36 0.00 0.00 54.97 53.97 1vj6 s GLU 97 Cb -0.12 -2.06 -0.12 0.00 0.26 0.00 0.00 34.13 32.08 1vj6 s GLU 97 CO 0.02 0.49 1.57 0.36 -0.54 0.00 0.00 175.26 177.17 1vj6 n LYS 98 N 1.14 2.49 -0.75 4.30 -0.00 -1.23 -1.17 118.16 122.95 1vj6 n LYS 98 Ca -0.16 0.89 0.06 0.00 -0.00 0.00 0.00 58.31 59.10 1vj6 n LYS 98 Cb 0.53 -2.65 0.34 0.00 -0.00 0.00 0.00 35.03 33.24 1vj6 n LYS 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1vj6 n GLY 99 N 2.62 2.73 3.74 2.58 0.00 -1.26 -4.61 105.19 110.98 1vj6 n GLY 99 Ca 0.12 -0.77 -0.36 0.00 0.00 0.00 0.00 46.02 45.00 1vj6 n GLY 99 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1vj6 s GLN 100 N -2.45 4.20 0.31 1.61 -1.52 -1.26 -4.79 119.66 115.75 1vj6 s GLN 100 Ca 0.46 0.06 -0.22 0.00 -1.95 0.00 0.00 55.36 53.71 1vj6 s GLN 100 Cb 0.35 -3.41 -0.09 0.00 -0.22 0.00 0.00 33.01 29.64 1vj6 s GLN 100 CO 0.14 0.29 0.85 0.54 -0.25 0.00 0.00 175.29 176.86 1vj6 s VAL 101 N 0.32 4.41 -2.00 1.09 0.11 -1.26 -4.91 120.40 118.16 1vj6 s VAL 101 Ca 0.16 1.49 0.13 0.00 -2.93 0.00 0.00 61.98 60.83 1vj6 s VAL 101 Cb -0.13 -3.85 0.38 0.00 -1.53 0.00 0.00 36.38 31.26 1vj6 s VAL 101 CO 0.03 0.04 1.22 -2.65 -3.33 0.00 0.00 175.10 170.42