#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 3.50 -0.11 2.12 1.02 -1.26 -5.04 119.74 119.97 1vj6 s LYS 9 Ca 0.00 -0.18 -0.29 0.00 0.02 0.00 0.00 55.97 55.51 1vj6 s LYS 9 Cb 0.00 -3.11 -0.06 0.00 -0.52 0.00 0.00 37.83 34.14 1vj6 s LYS 9 CO 0.00 0.69 1.84 -2.14 -0.92 0.00 0.00 175.35 174.82 1vj6 s PRO 10 N -1.67 3.85 -0.30 -1.68 0.02 -1.26 -2.86 135.00 131.10 1vj6 s PRO 10 Ca 0.25 2.12 -0.01 0.00 0.02 0.00 0.00 61.00 63.37 1vj6 s PRO 10 Cb -0.13 -4.13 0.00 0.00 0.02 0.00 0.00 34.50 30.27 1vj6 s PRO 10 CO 0.15 -1.26 0.15 0.41 -0.33 0.00 0.00 177.00 176.11 1vj6 n GLY 11 N 4.73 0.50 3.71 0.52 0.00 -1.20 -4.90 105.19 108.57 1vj6 n GLY 11 Ca 0.21 -0.57 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.98 7.19 -0.32 1.61 2.15 -1.14 -4.67 116.67 118.53 1vj6 s ASP 12 Ca 0.07 1.91 -0.14 0.00 0.43 0.00 0.00 52.55 54.82 1vj6 s ASP 12 Cb -0.03 -2.58 -0.02 0.00 -0.30 0.00 0.00 42.92 39.98 1vj6 s ASP 12 CO 0.09 -0.38 0.33 0.42 -0.17 0.00 0.00 175.17 175.46 1vj6 s THR 13 N 0.93 5.20 -0.11 1.71 -4.23 -1.26 -1.00 115.64 116.88 1vj6 s THR 13 Ca 0.56 0.17 -0.03 0.00 -1.18 0.00 0.00 61.69 61.20 1vj6 s THR 13 Cb -0.27 -3.74 -0.03 0.00 1.34 0.00 0.00 72.50 69.80 1vj6 s THR 13 CO 0.29 0.03 0.01 0.72 -0.54 0.00 0.00 174.62 175.13 1vj6 s PHE 14 N 1.97 3.16 -0.74 3.99 -0.71 -0.10 -4.96 117.98 120.59 1vj6 s PHE 14 Ca 0.11 0.10 0.04 0.00 -1.04 0.00 0.00 56.93 56.15 1vj6 s PHE 14 Cb -0.16 -1.86 0.21 0.00 -1.21 0.00 0.00 43.02 39.99 1vj6 s PHE 14 CO 0.11 0.35 0.66 0.39 -1.34 0.00 0.00 175.22 175.39 1vj6 n GLU 15 N 2.57 2.29 -3.05 1.99 1.02 -1.26 -0.72 120.64 123.47 1vj6 n GLU 15 Ca -0.18 -4.55 -0.39 0.00 -0.02 0.00 0.00 57.16 52.01 1vj6 n GLU 15 Cb 0.53 -2.31 -0.06 0.00 -0.02 0.00 0.00 31.44 29.59 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 -1.82 4.62 -0.18 2.62 1.01 -0.50 -4.88 120.40 121.28 1vj6 s VAL 16 Ca 0.30 1.55 -0.05 0.00 0.00 0.00 0.00 61.98 63.78 1vj6 s VAL 16 Cb 0.01 -4.07 -0.03 0.00 0.00 0.00 0.00 36.38 32.29 1vj6 s VAL 16 CO -0.11 0.46 0.01 -1.83 0.00 0.00 0.00 175.10 173.63 1vj6 s GLU 17 N -0.63 3.74 -0.09 2.72 4.04 -1.26 0.58 118.70 127.80 1vj6 s GLU 17 Ca 0.35 -0.47 0.03 0.00 0.04 0.00 0.00 54.97 54.92 1vj6 s GLU 17 Cb -0.21 -3.08 0.01 0.00 0.02 0.00 0.00 34.13 30.87 1vj6 s GLU 17 CO 0.23 0.15 -0.17 -0.51 -1.84 0.00 0.00 175.26 173.12 1vj6 s LEU 18 N 0.65 1.84 -0.86 1.83 1.43 0.08 -4.95 118.68 118.69 1vj6 s LEU 18 Ca 0.00 -0.43 -0.17 0.00 -1.03 0.00 0.00 54.13 52.50 1vj6 s LEU 18 Cb -0.14 -1.12 0.16 0.00 0.03 0.00 0.00 46.19 45.13 1vj6 s LEU 18 CO 0.02 0.08 0.95 0.00 0.23 0.00 0.00 176.35 177.63 1vj6 s ALA 19 N 0.62 3.66 0.32 4.21 0.00 -1.26 -0.16 121.76 129.15 1vj6 s ALA 19 Ca -0.14 -2.94 -0.29 0.00 0.00 0.00 0.00 51.96 48.59 1vj6 s ALA 19 Cb -0.16 -3.80 -0.11 0.00 0.00 0.00 0.00 23.12 19.05 1vj6 s ALA 19 CO 0.04 -2.65 1.49 -1.59 0.00 0.00 0.00 175.76 173.06 1vj6 s LYS 20 N 1.68 4.17 -0.44 0.00 0.00 -1.13 -4.92 119.74 119.10 1vj6 s LYS 20 Ca 0.25 2.49 -0.12 0.00 0.00 0.00 0.00 55.97 58.59 1vj6 s LYS 20 Cb -0.09 -3.02 0.07 0.00 0.00 0.00 0.00 37.83 34.80 1vj6 s LYS 20 CO -0.08 -0.51 0.31 -0.08 0.00 0.00 0.00 175.35 174.99 1vj6 s THR 21 N -0.56 4.63 -1.45 3.79 -1.32 -0.49 -4.32 115.64 115.91 1vj6 s THR 21 Ca 0.57 -1.25 -0.09 0.00 -1.21 0.00 0.00 61.69 59.70 1vj6 s THR 21 Cb -0.45 -3.79 0.05 0.00 -1.51 0.00 0.00 72.50 66.79 1vj6 s THR 21 CO 0.53 -0.52 0.76 0.47 -2.21 0.00 0.00 174.62 173.65 1vj6 n ASP 22 N 5.03 -5.07 -1.77 8.08 8.00 -1.26 -3.91 116.55 125.65 1vj6 n ASP 22 Ca -0.11 -0.50 -0.00 0.00 0.71 0.00 0.00 54.79 54.89 1vj6 n ASP 22 Cb 0.43 -4.08 0.00 0.00 -0.02 0.00 0.00 41.12 37.45 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 -1.53 -2.83 0.00 0.44 0.00 -1.26 -5.10 105.19 94.90 1vj6 n GLY 23 Ca -0.02 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1vj6 n GLY 23 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1vj6 n SER 24 N 0.07 0.00 -0.03 1.61 3.41 -1.25 -4.98 113.62 112.45 1vj6 n SER 24 Ca 0.00 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.45 1vj6 n SER 24 Cb 0.01 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 63.88 1vj6 n SER 24 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1vj6 h LEU 25 N 0.00 0.66 0.00 1.04 3.38 -1.92 -1.31 115.31 117.16 1vj6 h LEU 25 Ca 0.00 -0.63 0.00 0.00 0.09 0.00 0.00 57.88 57.34 1vj6 h LEU 25 Cb 0.00 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.56 1vj6 h LEU 25 CO 0.00 1.18 0.00 0.61 0.09 0.00 0.00 178.44 180.32 1vj6 n GLY 26 N 0.69 1.58 3.53 0.83 0.00 -1.26 -0.29 105.19 110.27 1vj6 n GLY 26 Ca -0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.71 4.41 -0.48 -0.61 -4.36 -1.26 -2.75 121.20 114.44 1vj6 s ILE 27 Ca 0.00 -0.16 -0.29 0.00 -0.26 0.00 0.00 60.65 59.94 1vj6 s ILE 27 Cb 0.00 -3.00 0.03 0.00 1.25 0.00 0.00 42.46 40.73 1vj6 s ILE 27 CO 0.00 0.42 1.18 -0.44 0.24 0.00 0.00 174.94 176.34 1vj6 s SER 28 N 0.83 6.57 -0.08 4.36 0.01 -0.72 -5.00 113.70 119.67 1vj6 s SER 28 Ca 0.03 0.48 -0.26 0.00 1.31 0.00 0.00 55.95 57.50 1vj6 s SER 28 Cb -0.14 -2.55 -0.03 0.00 0.21 0.00 0.00 66.02 63.52 1vj6 s SER 28 CO 0.02 -1.30 0.84 0.68 0.41 0.00 0.00 173.24 173.89 1vj6 s VAL 29 N 4.65 4.93 0.38 3.43 -7.23 -1.26 -0.42 120.40 124.88 1vj6 s VAL 29 Ca 0.49 1.71 0.05 0.00 -1.81 0.00 0.00 61.98 62.43 1vj6 s VAL 29 Cb -0.08 -4.17 -0.02 0.00 0.56 0.00 0.00 36.38 32.67 1vj6 s VAL 29 CO 0.32 0.14 0.19 0.28 -0.31 0.00 0.00 175.10 175.71 1vj6 s THR 30 N 1.38 0.33 -0.33 5.32 -1.32 -0.42 -4.88 115.64 115.72 1vj6 s THR 30 Ca 0.42 -2.00 -0.02 0.00 -1.21 0.00 0.00 61.69 58.88 1vj6 s THR 30 Cb -0.18 -2.38 0.00 0.00 -1.51 0.00 0.00 72.50 68.43 1vj6 s THR 30 CO 0.19 0.00 0.29 0.61 -2.21 0.00 0.00 174.62 173.50 1vj6 n GLY 31 N -0.81 0.59 3.92 6.08 0.00 -1.26 -0.06 105.19 113.65 1vj6 n GLY 31 Ca -0.01 -0.45 -0.26 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.87 -0.39 0.00 -0.02 0.00 -1.26 -4.15 105.19 98.50 1vj6 n GLY 32 Ca 0.00 -1.88 0.02 0.00 0.00 0.00 0.00 46.02 44.16 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 -3.35 1.49 0.07 1.61 3.14 0.88 -1.57 118.33 120.60 1vj6 n VAL 33 Ca 0.17 0.37 -0.00 0.00 -2.96 0.00 0.00 64.34 61.92 1vj6 n VAL 33 Cb 0.59 -1.30 0.31 0.00 -1.06 0.00 0.00 33.84 32.37 1vj6 n VAL 33 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 1vj6 h ASN 34 N 0.00 0.34 -3.26 6.55 -1.07 -1.92 -3.44 115.58 112.77 1vj6 h ASN 34 Ca 0.00 -0.09 0.00 0.00 0.07 0.00 0.00 56.30 56.28 1vj6 h ASN 34 Cb 0.06 -0.09 0.00 0.00 -2.07 0.00 0.00 38.32 36.22 1vj6 h ASN 34 CO 0.00 0.53 0.00 1.07 0.07 0.00 0.00 177.43 179.10 1vj6 n THR 35 N -4.21 0.00 -3.43 6.14 5.66 -0.61 -5.05 114.28 112.78 1vj6 n THR 35 Ca -0.00 0.00 -0.44 0.00 -3.05 0.00 0.00 64.05 60.56 1vj6 n THR 35 Cb 0.32 -1.04 -0.05 0.00 -1.55 0.00 0.00 70.33 68.02 1vj6 n THR 35 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1vj6 s SER 36 N -1.00 6.27 0.57 1.09 0.01 -1.26 -4.95 113.70 114.43 1vj6 s SER 36 Ca 0.00 -2.54 0.08 0.00 1.31 0.00 0.00 55.95 54.79 1vj6 s SER 36 Cb 0.00 -2.12 0.07 0.00 0.21 0.00 0.00 66.02 64.18 1vj6 s SER 36 CO 0.00 -0.58 0.61 0.68 0.41 0.00 0.00 173.24 174.36 1vj6 s VAL 37 N 0.40 1.85 0.05 3.43 -7.23 -1.26 -5.07 120.40 112.58 1vj6 s VAL 37 Ca 0.15 -1.25 -0.20 0.00 -1.81 0.00 0.00 61.98 58.87 1vj6 s VAL 37 Cb -0.16 -2.10 -0.09 0.00 0.56 0.00 0.00 36.38 34.58 1vj6 s VAL 37 CO -0.06 0.00 1.32 -0.09 -0.31 0.00 0.00 175.10 175.96 1vj6 h ARG 38 N 0.44 -0.52 0.00 4.82 2.43 -1.96 -3.40 114.38 116.19 1vj6 h ARG 38 Ca -0.33 0.04 -0.23 0.00 -0.81 0.00 0.00 59.98 58.65 1vj6 h ARG 38 Cb 1.30 0.12 -0.15 0.00 -0.42 0.00 0.00 29.97 30.82 1vj6 h ARG 38 CO 0.49 -0.35 -0.40 1.58 -1.51 0.00 0.00 179.97 179.78 1vj6 n HIS 39 N -4.14 -2.69 0.00 2.20 -0.00 -1.26 -5.11 115.22 104.22 1vj6 n HIS 39 Ca -0.06 -2.02 0.00 0.00 0.46 0.00 0.00 57.72 56.09 1vj6 n HIS 39 Cb 0.26 1.61 0.00 0.00 -0.12 0.00 0.00 29.99 31.73 1vj6 n HIS 39 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1vj6 n GLY 40 N 0.36 -0.74 0.00 1.57 0.00 -1.26 -4.73 105.19 100.39 1vj6 n GLY 40 Ca 0.05 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.88 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 1.24 -1.25 3.12 -0.02 0.00 -1.09 -4.65 105.19 102.54 1vj6 n GLY 41 Ca 0.00 -0.82 -0.11 0.00 0.00 0.00 0.00 46.02 45.09 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 -3.00 0.59 0.06 -0.61 1.10 -0.91 -4.18 121.20 114.25 1vj6 s ILE 42 Ca 0.00 -1.59 0.01 0.00 -0.51 0.00 0.00 60.65 58.56 1vj6 s ILE 42 Cb 0.00 -1.25 -0.03 0.00 0.15 0.00 0.00 42.46 41.33 1vj6 s ILE 42 CO 0.00 -0.70 -0.06 -0.31 -2.11 0.00 0.00 174.94 171.76 1vj6 s TYR 43 N -2.79 0.65 -0.00 3.50 1.51 0.91 0.21 117.35 121.34 1vj6 s TYR 43 Ca 0.03 -0.72 -0.26 0.00 -1.01 0.00 0.00 57.07 55.12 1vj6 s TYR 43 Cb -0.00 -0.40 -0.04 0.00 -0.11 0.00 0.00 41.96 41.40 1vj6 s TYR 43 CO -0.03 -0.16 0.80 0.08 -1.11 0.00 0.00 175.55 175.13 1vj6 s VAL 44 N -2.46 4.86 -0.17 0.71 1.01 -0.92 -1.29 120.40 122.14 1vj6 s VAL 44 Ca -0.02 1.68 -0.19 0.00 0.00 0.00 0.00 61.98 63.45 1vj6 s VAL 44 Cb -0.03 -4.15 -0.16 0.00 0.00 0.00 0.00 36.38 32.04 1vj6 s VAL 44 CO -0.03 0.28 0.27 0.50 0.00 0.00 0.00 175.10 176.12 1vj6 h LYS 45 N 6.30 0.00 -4.11 2.72 1.63 -1.08 -3.16 116.57 118.87 1vj6 h LYS 45 Ca -0.42 0.00 -0.29 0.00 -0.85 0.00 0.00 60.65 59.09 1vj6 h LYS 45 Cb 1.21 0.00 -0.28 0.00 -0.60 0.00 0.00 32.23 32.56 1vj6 h LYS 45 CO 0.73 0.73 -0.74 0.00 -3.45 0.00 0.00 179.45 176.73 1vj6 s ALA 46 N -2.41 0.28 -0.20 5.00 0.00 -1.24 -4.55 121.76 118.64 1vj6 s ALA 46 Ca -0.21 -0.17 -0.13 0.00 0.00 0.00 0.00 51.96 51.46 1vj6 s ALA 46 Cb 0.02 -0.06 -0.05 0.00 0.00 0.00 0.00 23.12 23.03 1vj6 s ALA 46 CO 0.50 0.06 0.25 0.42 0.00 0.00 0.00 175.76 176.99 1vj6 s ILE 47 N -0.14 5.32 0.58 0.00 -1.09 -1.26 -1.76 121.20 122.86 1vj6 s ILE 47 Ca 0.01 0.41 -0.14 0.00 -2.23 0.00 0.00 60.65 58.70 1vj6 s ILE 47 Cb -0.02 -3.58 -0.05 0.00 -1.58 0.00 0.00 42.46 37.23 1vj6 s ILE 47 CO -0.00 0.36 1.02 0.27 -1.23 0.00 0.00 174.94 175.35 1vj6 s ILE 48 N 0.80 4.45 -1.06 2.92 -4.36 -1.11 -4.93 121.20 117.91 1vj6 s ILE 48 Ca 0.13 0.99 -0.24 0.00 -0.26 0.00 0.00 60.65 61.27 1vj6 s ILE 48 Cb -0.13 -3.70 -0.07 0.00 1.25 0.00 0.00 42.46 39.81 1vj6 s ILE 48 CO 0.04 -0.86 1.95 -2.84 0.24 0.00 0.00 174.94 173.47 1vj6 s PRO 49 N -4.59 2.50 0.00 0.37 0.02 -1.26 -4.28 135.00 127.76 1vj6 s PRO 49 Ca 0.58 -0.77 0.00 0.00 0.02 0.00 0.00 61.00 60.83 1vj6 s PRO 49 Cb -0.11 -5.16 0.00 0.00 0.02 0.00 0.00 34.50 29.25 1vj6 s PRO 49 CO 0.43 -3.74 0.00 1.63 -0.33 0.00 0.00 177.00 174.99 1vj6 n LYS 50 N 8.54 0.00 0.00 5.54 4.01 -1.26 -5.13 118.16 129.86 1vj6 n LYS 50 Ca 0.43 0.34 0.00 0.00 -0.51 0.00 0.00 58.31 58.57 1vj6 n LYS 50 Cb 0.47 -0.94 0.00 0.00 -0.51 0.00 0.00 35.03 34.05 1vj6 n LYS 50 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1vj6 n GLY 51 N -0.25 1.31 0.03 0.72 0.00 -1.26 -5.05 105.19 100.70 1vj6 n GLY 51 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 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 1.85 -0.09 4.61 0.00 0.28 -4.41 120.51 119.75 1vj6 n ALA 52 Ca 0.00 -0.32 -0.14 0.00 0.00 0.00 0.00 53.44 52.98 1vj6 n ALA 52 Cb 0.00 0.29 -0.04 0.00 0.00 0.00 0.00 19.45 19.69 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 0.07 0.43 -0.09 0.00 0.00 -0.99 -1.29 119.26 117.38 1vj6 h ALA 53 Ca -0.16 -0.45 0.03 0.00 0.00 0.00 0.00 54.91 54.33 1vj6 h ALA 53 Cb 1.27 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 1vj6 h ALA 53 CO -0.02 0.52 0.09 1.49 0.00 0.00 0.00 179.25 181.33 1vj6 h GLU 54 N 0.51 0.00 -0.00 0.00 4.57 -1.86 -1.93 114.58 115.87 1vj6 h GLU 54 Ca 0.03 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 1vj6 h GLU 54 Cb 0.97 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.56 1vj6 h GLU 54 CO 0.09 0.00 -0.04 0.43 -1.18 0.00 0.00 179.01 178.31 1vj6 n SER 55 N -4.04 0.05 0.05 1.04 7.64 -0.52 -2.85 113.62 114.99 1vj6 n SER 55 Ca -0.01 0.35 -0.03 0.00 1.01 0.00 0.00 58.87 60.20 1vj6 n SER 55 Cb 0.19 -0.41 -0.01 0.00 -1.01 0.00 0.00 64.21 62.97 1vj6 n SER 55 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 1vj6 h ASP 56 N 0.01 -0.17 0.00 6.43 3.58 -1.03 -3.49 116.42 121.76 1vj6 h ASP 56 Ca 0.00 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.46 1vj6 h ASP 56 Cb 0.48 0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.57 1vj6 h ASP 56 CO 0.00 0.19 0.00 0.61 -2.88 0.00 0.00 179.24 177.16 1vj6 n GLY 57 N 1.20 0.22 0.13 -0.78 0.00 -0.97 -4.83 105.19 100.17 1vj6 n GLY 57 Ca -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 3.89 0.00 -6.58 1.61 3.08 -1.88 -3.43 114.38 111.08 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 0.05 0.00 0.08 0.00 0.00 29.97 30.10 1vj6 h ARG 58 CO 0.00 0.62 1.01 0.42 -1.07 0.00 0.00 179.97 180.95 1vj6 s ILE 59 N -3.40 2.42 0.00 2.04 1.01 -1.26 -5.01 121.20 116.99 1vj6 s ILE 59 Ca -0.00 0.18 0.00 0.00 0.00 0.00 0.00 60.65 60.82 1vj6 s ILE 59 Cb 0.11 -3.11 0.00 0.00 0.01 0.00 0.00 42.46 39.47 1vj6 s ILE 59 CO 0.75 0.01 0.00 1.57 0.00 0.00 0.00 174.94 177.27 1vj6 n HIS 60 N 4.65 0.00 -2.38 3.97 -0.00 -1.26 -4.79 115.22 115.41 1vj6 n HIS 60 Ca 0.16 0.00 -0.42 0.00 0.46 0.00 0.00 57.72 57.92 1vj6 n HIS 60 Cb 0.37 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.25 1vj6 n HIS 60 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 1vj6 n LYS 61 N 0.00 4.22 0.00 1.57 5.02 -1.26 -4.38 118.16 123.33 1vj6 n LYS 61 Ca 0.00 -3.79 0.00 0.00 -2.02 0.00 0.00 58.31 52.50 1vj6 n LYS 61 Cb 0.00 -2.73 0.00 0.00 -0.02 0.00 0.00 35.03 32.28 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 1.97 -0.32 3.85 0.72 0.00 -1.19 -4.88 105.19 105.34 1vj6 n GLY 62 Ca 0.44 0.04 -0.24 0.00 0.00 0.00 0.00 46.02 46.26 1vj6 n GLY 62 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1vj6 s ASP 63 N 0.00 4.72 -0.13 1.61 1.01 -1.26 -4.28 116.67 118.34 1vj6 s ASP 63 Ca 0.00 -1.04 -0.05 0.00 0.71 0.00 0.00 52.55 52.17 1vj6 s ASP 63 Cb 0.00 -0.12 -0.04 0.00 1.01 0.00 0.00 42.92 43.77 1vj6 s ASP 63 CO 0.00 -0.82 0.06 -0.60 0.21 0.00 0.00 175.17 174.02 1vj6 s ARG 64 N -4.14 3.46 -0.28 8.23 3.52 -0.46 -2.16 118.95 127.11 1vj6 s ARG 64 Ca 0.40 -0.31 -0.12 0.00 -0.13 0.00 0.00 55.73 55.57 1vj6 s ARG 64 Cb -0.01 -3.05 -0.04 0.00 -1.56 0.00 0.00 34.95 30.29 1vj6 s ARG 64 CO 0.24 0.57 0.25 0.08 -0.81 0.00 0.00 175.30 175.63 1vj6 s VAL 65 N -0.48 5.26 -0.19 7.11 1.01 0.13 -0.15 120.40 133.09 1vj6 s VAL 65 Ca 0.10 0.25 0.09 0.00 0.00 0.00 0.00 61.98 62.42 1vj6 s VAL 65 Cb -0.12 -3.61 -0.18 0.00 0.00 0.00 0.00 36.38 32.47 1vj6 s VAL 65 CO 0.02 0.19 -0.05 0.00 0.00 0.00 0.00 175.10 175.26 1vj6 n LEU 66 N 5.16 1.26 -3.74 3.92 -0.00 0.18 -2.13 117.00 121.65 1vj6 n LEU 66 Ca -0.12 -0.05 -0.12 0.00 -0.00 0.00 0.00 56.01 55.72 1vj6 n LEU 66 Cb 0.51 -0.08 -0.07 0.00 -0.00 0.00 0.00 43.42 43.78 1vj6 n LEU 66 CO 0.35 0.60 0.06 0.00 -0.00 0.00 0.00 177.39 178.40 1vj6 s ALA 67 N -2.42 -0.79 -0.17 1.47 0.00 -1.04 -0.50 121.76 118.31 1vj6 s ALA 67 Ca -0.17 0.18 -0.02 0.00 0.00 0.00 0.00 51.96 51.94 1vj6 s ALA 67 Cb 0.06 0.25 0.05 0.00 0.00 0.00 0.00 23.12 23.48 1vj6 s ALA 67 CO 0.61 -0.37 0.02 0.08 0.00 0.00 0.00 175.76 176.09 1vj6 s VAL 68 N -2.16 0.59 -1.50 0.00 1.01 0.24 -0.18 120.40 118.40 1vj6 s VAL 68 Ca -0.08 -0.49 -0.01 0.00 0.00 0.00 0.00 61.98 61.40 1vj6 s VAL 68 Cb -0.02 -1.01 0.01 0.00 0.00 0.00 0.00 36.38 35.36 1vj6 s VAL 68 CO -0.01 -0.11 0.13 0.59 0.00 0.00 0.00 175.10 175.71 1vj6 n ASN 69 N 5.04 -5.21 -0.05 3.32 3.02 -0.20 -1.17 115.26 120.01 1vj6 n ASN 69 Ca -0.09 -0.02 -0.01 0.00 -0.03 0.00 0.00 54.58 54.43 1vj6 n ASN 69 Cb 0.47 -4.33 -0.00 0.00 -0.61 0.00 0.00 39.78 35.31 1vj6 n ASN 69 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1vj6 n GLY 70 N -1.05 0.47 3.22 7.41 0.00 -1.26 -5.01 105.19 108.97 1vj6 n GLY 70 Ca -0.18 -0.56 -0.40 0.00 0.00 0.00 0.00 46.02 44.88 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 4.07 0.28 1.61 1.01 -0.32 -5.05 120.40 120.01 1vj6 s VAL 71 Ca 0.00 -1.67 -0.29 0.00 0.00 0.00 0.00 61.98 60.02 1vj6 s VAL 71 Cb 0.00 -3.62 -0.10 0.00 0.00 0.00 0.00 36.38 32.66 1vj6 s VAL 71 CO 0.00 -0.65 1.39 -0.44 0.00 0.00 0.00 175.10 175.40 1vj6 s SER 72 N 2.33 6.68 -0.13 3.32 0.01 -1.26 -0.59 113.70 124.06 1vj6 s SER 72 Ca 0.05 2.69 0.03 0.00 1.31 0.00 0.00 55.95 60.02 1vj6 s SER 72 Cb -0.24 -2.63 0.25 0.00 0.21 0.00 0.00 66.02 63.61 1vj6 s SER 72 CO -0.00 -0.65 1.18 0.18 0.41 0.00 0.00 173.24 174.37 1vj6 n LEU 73 N 1.67 3.72 -4.65 2.44 4.77 0.35 -4.87 117.00 120.43 1vj6 n LEU 73 Ca 0.04 -1.92 -0.43 0.00 -0.03 0.00 0.00 56.01 53.68 1vj6 n LEU 73 Cb 0.41 -0.60 -0.03 0.00 -2.33 0.00 0.00 43.42 40.87 1vj6 n LEU 73 CO 0.60 0.58 1.36 -0.70 -1.33 0.00 0.00 177.39 177.90 1vj6 s GLU 74 N -1.32 4.04 0.00 3.23 2.12 -1.26 -2.08 118.70 123.42 1vj6 s GLU 74 Ca 0.20 1.98 0.00 0.00 0.36 0.00 0.00 54.97 57.51 1vj6 s GLU 74 Cb 0.16 -4.00 0.00 0.00 0.26 0.00 0.00 34.13 30.55 1vj6 s GLU 74 CO 0.04 -1.01 0.00 0.41 -0.54 0.00 0.00 175.26 174.17 1vj6 n GLY 75 N 4.30 0.71 3.78 -1.50 0.00 -1.26 -5.01 105.19 106.20 1vj6 n GLY 75 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.55 3.47 0.00 4.61 0.00 -0.88 -4.84 121.76 121.58 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 -2.85 0.00 0.00 0.00 0.00 0.00 23.12 20.27 1vj6 s ALA 76 CO 0.00 0.25 0.00 -2.37 0.00 0.00 0.00 175.76 173.64 1vj6 n THR 77 N 2.08 0.00 0.00 0.00 5.66 -1.26 -0.08 114.28 120.68 1vj6 n THR 77 Ca -0.06 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.84 1vj6 n THR 77 Cb 0.50 -0.32 -0.03 0.00 -1.55 0.00 0.00 70.33 68.93 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 0.56 -0.40 -0.21 1.09 2.76 -1.93 0.22 115.15 117.24 1vj6 h HIS 78 Ca 0.00 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.15 1vj6 h HIS 78 Cb 0.00 0.20 -0.01 0.00 1.55 0.00 0.00 27.41 29.15 1vj6 h HIS 78 CO 0.00 -0.23 -0.04 -0.22 -1.30 0.00 0.00 177.93 176.14 1vj6 h LYS 79 N -0.20 0.39 -0.34 5.26 3.64 -1.99 -0.54 116.57 122.79 1vj6 h LYS 79 Ca 0.09 -0.15 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1vj6 h LYS 79 Cb 0.33 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 1vj6 h LYS 79 CO -0.24 0.64 0.20 0.37 -2.27 0.00 0.00 179.45 178.15 1vj6 h GLN 80 N 0.12 0.46 -0.34 1.90 4.15 -1.95 -2.61 115.11 116.85 1vj6 h GLN 80 Ca 0.05 -0.04 -0.05 0.00 0.77 0.00 0.00 58.65 59.37 1vj6 h GLN 80 Cb 0.49 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 28.07 1vj6 h GLN 80 CO 0.02 0.35 -0.02 0.00 -1.93 0.00 0.00 178.83 177.25 1vj6 h ALA 81 N 1.08 1.33 0.15 3.38 0.00 -0.45 -0.53 119.26 124.22 1vj6 h ALA 81 Ca 0.12 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.83 1vj6 h ALA 81 Cb 0.02 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1vj6 h ALA 81 CO -0.02 0.46 -0.24 0.28 0.00 0.00 0.00 179.25 179.72 1vj6 h VAL 82 N 0.51 0.47 -0.41 0.00 2.07 -1.00 -2.25 116.25 115.65 1vj6 h VAL 82 Ca 0.11 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.69 1vj6 h VAL 82 Cb 0.36 0.47 -0.05 0.00 -1.52 0.00 0.00 31.29 30.55 1vj6 h VAL 82 CO 0.01 0.00 0.10 -0.33 0.02 0.00 0.00 177.57 177.38 1vj6 h GLU 83 N -0.46 0.24 -0.83 1.57 5.08 -1.05 0.41 114.58 119.54 1vj6 h GLU 83 Ca 0.02 -0.01 0.20 0.00 -1.00 0.00 0.00 59.36 58.56 1vj6 h GLU 83 Cb 0.47 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.61 1vj6 h GLU 83 CO -0.12 0.16 0.56 1.15 -1.00 0.00 0.00 179.01 179.76 1vj6 h THR 84 N 0.24 0.68 0.03 1.13 2.02 -0.94 0.99 112.91 117.07 1vj6 h THR 84 Ca 0.19 -0.09 -0.31 0.00 0.77 0.00 0.00 66.41 66.97 1vj6 h THR 84 Cb 0.22 0.38 -0.04 0.00 -1.74 0.00 0.00 68.15 66.97 1vj6 h THR 84 CO -0.23 0.05 -1.74 0.18 0.37 0.00 0.00 175.52 174.15 1vj6 n LEU 85 N -4.44 2.16 0.08 2.58 4.77 -0.86 -4.69 117.00 116.60 1vj6 n LEU 85 Ca 0.17 0.32 -0.17 0.00 -0.03 0.00 0.00 56.01 56.30 1vj6 n LEU 85 Cb 0.71 -0.98 -0.09 0.00 -2.33 0.00 0.00 43.42 40.73 1vj6 n LEU 85 CO 0.34 0.52 0.07 -0.09 -1.33 0.00 0.00 177.39 176.89 1vj6 h ARG 86 N -0.65 0.47 -1.03 3.23 1.12 0.02 -3.35 114.38 114.19 1vj6 h ARG 86 Ca -0.44 -0.58 -0.17 0.00 -1.11 0.00 0.00 59.98 57.68 1vj6 h ARG 86 Cb 1.59 0.18 -0.10 0.00 -0.01 0.00 0.00 29.97 31.63 1vj6 h ARG 86 CO -0.16 1.22 0.22 -1.71 -3.11 0.00 0.00 179.97 176.43 1vj6 n ASN 87 N -3.73 3.39 -4.94 -3.80 5.15 0.32 -4.82 115.26 106.84 1vj6 n ASN 87 Ca -0.09 -2.54 -0.23 0.00 -0.60 0.00 0.00 54.58 51.11 1vj6 n ASN 87 Cb 0.91 -0.63 0.01 0.00 -0.53 0.00 0.00 39.78 39.54 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 -1.10 2.01 0.00 -0.44 -4.23 -1.26 -5.01 115.64 105.61 1vj6 s THR 88 Ca 0.19 -1.31 0.00 0.00 -1.18 0.00 0.00 61.69 59.39 1vj6 s THR 88 Cb 0.16 -2.32 0.00 0.00 1.34 0.00 0.00 72.50 71.67 1vj6 s THR 88 CO 0.03 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.72 1vj6 n GLY 89 N -1.87 -0.09 2.00 3.99 0.00 -1.26 -5.04 105.19 102.91 1vj6 n GLY 89 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.76 0.00 -2.31 1.61 7.27 -1.26 -4.96 117.38 115.97 1vj6 n GLN 90 Ca 0.00 0.00 -0.43 0.00 0.07 0.00 0.00 57.00 56.64 1vj6 n GLN 90 Cb 0.00 -0.00 -0.02 0.00 2.41 0.00 0.00 30.24 32.63 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 -1.36 3.99 -0.44 1.69 1.01 -1.26 -2.86 120.40 121.16 1vj6 s VAL 91 Ca 0.00 1.12 -0.10 0.00 0.00 0.00 0.00 61.98 63.00 1vj6 s VAL 91 Cb 0.00 -3.99 0.09 0.00 0.00 0.00 0.00 36.38 32.48 1vj6 s VAL 91 CO 0.00 -0.39 0.30 -0.69 0.00 0.00 0.00 175.10 174.33 1vj6 s VAL 92 N 4.59 4.37 -0.78 2.92 1.01 0.77 -4.91 120.40 128.38 1vj6 s VAL 92 Ca 0.61 -1.46 -0.25 0.00 0.00 0.00 0.00 61.98 60.89 1vj6 s VAL 92 Cb -0.20 -3.72 0.05 0.00 0.00 0.00 0.00 36.38 32.51 1vj6 s VAL 92 CO 0.25 -0.59 1.23 -2.28 0.00 0.00 0.00 175.10 173.71 1vj6 s HIS 93 N 1.44 2.45 -0.37 5.22 2.46 -1.26 -0.74 115.29 124.49 1vj6 s HIS 93 Ca 0.04 -0.36 -0.25 0.00 0.47 0.00 0.00 55.06 54.96 1vj6 s HIS 93 Cb -0.24 -4.55 0.01 0.00 -0.13 0.00 0.00 32.58 27.67 1vj6 s HIS 93 CO 0.02 -1.93 0.88 -0.51 -2.47 0.00 0.00 174.74 170.72 1vj6 s LEU 94 N 5.09 4.04 -0.57 8.88 1.43 0.20 -1.03 118.68 136.72 1vj6 s LEU 94 Ca 0.34 0.47 -0.22 0.00 -1.03 0.00 0.00 54.13 53.68 1vj6 s LEU 94 Cb -0.08 -3.18 0.06 0.00 0.03 0.00 0.00 46.19 43.02 1vj6 s LEU 94 CO 0.08 -0.83 0.87 -0.22 0.23 0.00 0.00 176.35 176.48 1vj6 s LEU 95 N 3.37 4.43 -0.03 1.79 0.20 0.75 -1.41 118.68 127.78 1vj6 s LEU 95 Ca 0.36 -0.70 0.01 0.00 0.69 0.00 0.00 54.13 54.49 1vj6 s LEU 95 Cb -0.12 -2.61 -0.03 0.00 -0.43 0.00 0.00 46.19 43.00 1vj6 s LEU 95 CO 0.19 -1.21 -0.03 -0.76 -0.29 0.00 0.00 176.35 174.25 1vj6 s LEU 96 N 3.63 3.37 -0.13 -0.68 1.43 0.10 -0.65 118.68 125.75 1vj6 s LEU 96 Ca 0.24 -0.02 -0.00 0.00 -1.03 0.00 0.00 54.13 53.32 1vj6 s LEU 96 Cb -0.16 -1.87 -0.01 0.00 0.03 0.00 0.00 46.19 44.18 1vj6 s LEU 96 CO 0.14 0.31 -0.13 -0.70 0.23 0.00 0.00 176.35 176.21 1vj6 s GLU 97 N -1.26 3.38 -0.06 1.70 2.12 0.79 -0.92 118.70 124.45 1vj6 s GLU 97 Ca 0.16 -0.68 -0.30 0.00 0.36 0.00 0.00 54.97 54.51 1vj6 s GLU 97 Cb -0.11 -2.65 -0.04 0.00 0.26 0.00 0.00 34.13 31.59 1vj6 s GLU 97 CO 0.06 0.19 1.39 0.21 -0.54 0.00 0.00 175.26 176.58 1vj6 s LYS 98 N 0.41 4.26 -1.36 4.30 2.47 -0.17 -1.35 119.74 128.30 1vj6 s LYS 98 Ca -0.10 1.89 -0.14 0.00 -1.56 0.00 0.00 55.97 56.07 1vj6 s LYS 98 Cb -0.16 -3.70 -0.03 0.00 -1.46 0.00 0.00 37.83 32.48 1vj6 s LYS 98 CO 0.05 -0.65 2.35 0.41 0.16 0.00 0.00 175.35 177.68 1vj6 n GLY 99 N 3.70 4.01 3.27 5.54 0.00 -1.26 -3.21 105.19 117.23 1vj6 n GLY 99 Ca 0.14 -1.47 -0.19 0.00 0.00 0.00 0.00 46.02 44.50 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 3.24 1.09 -0.03 1.61 -1.52 -1.26 -4.95 119.66 117.85 1vj6 s GLN 100 Ca 0.53 -1.27 -0.02 0.00 -1.95 0.00 0.00 55.36 52.65 1vj6 s GLN 100 Cb 0.15 -1.06 -0.04 0.00 -0.22 0.00 0.00 33.01 31.84 1vj6 s GLN 100 CO -0.05 0.21 0.10 0.54 -0.25 0.00 0.00 175.29 175.85 1vj6 s VAL 101 N -2.01 4.94 -2.00 1.09 0.11 -1.26 -3.63 120.40 117.64 1vj6 s VAL 101 Ca 0.10 -0.26 0.11 0.00 -2.93 0.00 0.00 61.98 59.00 1vj6 s VAL 101 Cb -0.06 -3.24 0.31 0.00 -1.53 0.00 0.00 36.38 31.86 1vj6 s VAL 101 CO 0.04 0.40 1.08 -2.65 -3.33 0.00 0.00 175.10 170.64