#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 3.20 0.45 0.03 1.02 -1.26 -4.78 119.74 118.40 1vj6 s LYS 9 Ca 0.00 -0.36 -0.22 0.00 0.02 0.00 0.00 55.97 55.40 1vj6 s LYS 9 Cb 0.00 -2.91 -0.08 0.00 -0.52 0.00 0.00 37.83 34.32 1vj6 s LYS 9 CO 0.00 0.64 1.09 -1.25 -0.92 0.00 0.00 175.35 174.91 1vj6 s PRO 10 N -0.70 3.89 -1.07 -1.68 0.04 -1.26 -3.77 135.00 130.45 1vj6 s PRO 10 Ca 0.11 1.55 0.00 0.00 0.04 0.00 0.00 61.00 62.71 1vj6 s PRO 10 Cb -0.12 -2.35 0.00 0.00 0.04 0.00 0.00 34.50 32.08 1vj6 s PRO 10 CO 0.02 -0.39 0.00 0.41 0.04 0.00 0.00 177.00 177.08 1vj6 n GLY 11 N 0.21 1.14 3.68 0.56 0.00 -1.26 -4.98 105.19 104.54 1vj6 n GLY 11 Ca 0.07 -0.48 -0.43 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.81 7.15 -0.22 1.61 2.15 -1.25 -4.84 116.67 118.46 1vj6 s ASP 12 Ca 0.00 1.56 -0.09 0.00 0.43 0.00 0.00 52.55 54.45 1vj6 s ASP 12 Cb 0.00 -2.55 -0.04 0.00 -0.30 0.00 0.00 42.92 40.03 1vj6 s ASP 12 CO 0.00 -0.55 0.11 0.42 -0.17 0.00 0.00 175.17 174.98 1vj6 s THR 13 N 2.44 5.00 -0.20 1.71 -4.23 -1.26 -0.98 115.64 118.13 1vj6 s THR 13 Ca 0.49 0.05 -0.02 0.00 -1.18 0.00 0.00 61.69 61.03 1vj6 s THR 13 Cb -0.19 -3.30 -0.00 0.00 1.34 0.00 0.00 72.50 70.35 1vj6 s THR 13 CO 0.15 0.39 -0.09 0.72 -0.54 0.00 0.00 174.62 175.25 1vj6 s PHE 14 N 0.86 2.89 -1.07 3.99 -0.71 0.26 -4.98 117.98 119.23 1vj6 s PHE 14 Ca 0.06 -1.03 -0.06 0.00 -1.04 0.00 0.00 56.93 54.86 1vj6 s PHE 14 Cb -0.13 -2.02 0.29 0.00 -1.21 0.00 0.00 43.02 39.95 1vj6 s PHE 14 CO 0.03 -0.54 1.25 -1.91 -1.34 0.00 0.00 175.22 172.71 1vj6 n GLU 15 N 4.53 3.89 -2.89 1.99 2.13 -1.25 -1.20 120.64 127.84 1vj6 n GLU 15 Ca -0.19 -4.51 -0.42 0.00 0.66 0.00 0.00 57.16 52.70 1vj6 n GLU 15 Cb 0.51 -2.51 -0.04 0.00 0.27 0.00 0.00 31.44 29.67 1vj6 n GLU 15 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1vj6 s VAL 16 N -2.03 4.86 -0.25 6.31 1.01 -0.28 -4.75 120.40 125.26 1vj6 s VAL 16 Ca 0.31 1.61 -0.14 0.00 0.00 0.00 0.00 61.98 63.76 1vj6 s VAL 16 Cb -0.02 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 32.19 1vj6 s VAL 16 CO 0.01 -0.03 0.32 -0.70 0.00 0.00 0.00 175.10 174.70 1vj6 s GLU 17 N 2.50 4.06 0.23 2.72 2.12 -1.26 0.35 118.70 129.42 1vj6 s GLU 17 Ca 0.37 -0.02 -0.07 0.00 0.36 0.00 0.00 54.97 55.61 1vj6 s GLU 17 Cb -0.16 -3.61 -0.02 0.00 0.26 0.00 0.00 34.13 30.61 1vj6 s GLU 17 CO 0.10 -0.14 0.32 -0.48 -0.54 0.00 0.00 175.26 174.52 1vj6 s LEU 18 N 1.65 0.75 -0.09 2.70 2.34 -0.95 -4.99 118.68 120.10 1vj6 s LEU 18 Ca 0.14 -1.18 0.03 0.00 0.06 0.00 0.00 54.13 53.18 1vj6 s LEU 18 Cb -0.15 1.12 -0.01 0.00 -0.56 0.00 0.00 46.19 46.59 1vj6 s LEU 18 CO 0.09 -1.02 -0.19 0.00 -1.06 0.00 0.00 176.35 174.17 1vj6 s ALA 19 N -4.01 2.40 0.57 1.48 0.00 -1.26 -0.62 121.76 120.32 1vj6 s ALA 19 Ca 0.30 -0.97 -0.16 0.00 0.00 0.00 0.00 51.96 51.14 1vj6 s ALA 19 Cb 0.03 -0.93 -0.05 0.00 0.00 0.00 0.00 23.12 22.17 1vj6 s ALA 19 CO 0.11 0.37 1.03 0.15 0.00 0.00 0.00 175.76 177.42 1vj6 s LYS 20 N -0.01 3.54 -0.53 0.00 3.01 -1.10 -4.90 119.74 119.74 1vj6 s LYS 20 Ca -0.06 1.09 -0.15 0.00 -1.01 0.00 0.00 55.97 55.84 1vj6 s LYS 20 Cb -0.15 -2.07 0.13 0.00 -1.01 0.00 0.00 37.83 34.73 1vj6 s LYS 20 CO 0.05 -0.62 0.48 -0.08 0.51 0.00 0.00 175.35 175.68 1vj6 s THR 21 N -2.57 5.08 -1.08 2.17 -1.32 0.29 -4.63 115.64 113.59 1vj6 s THR 21 Ca 0.61 -1.54 -0.31 0.00 -1.21 0.00 0.00 61.69 59.24 1vj6 s THR 21 Cb -0.14 -4.26 0.04 0.00 -1.51 0.00 0.00 72.50 66.63 1vj6 s THR 21 CO 0.36 -0.86 0.60 0.47 -2.21 0.00 0.00 174.62 172.99 1vj6 n ASP 22 N 5.20 -3.66 -1.70 8.08 9.92 -1.26 -3.30 116.55 129.84 1vj6 n ASP 22 Ca -0.13 -1.17 -0.04 0.00 -0.53 0.00 0.00 54.79 52.92 1vj6 n ASP 22 Cb 0.40 -1.41 0.02 0.00 -0.64 0.00 0.00 41.12 39.49 1vj6 n ASP 22 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1vj6 n GLY 23 N -1.98 0.36 0.00 0.44 0.00 -1.26 -5.05 105.19 97.69 1vj6 n GLY 23 Ca -0.10 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.66 0.00 0.01 1.61 7.64 -1.21 -5.00 113.62 115.01 1vj6 n SER 24 Ca -0.04 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.66 1vj6 n SER 24 Cb 0.53 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.61 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 0.47 0.00 -3.43 3.38 -1.93 0.86 115.31 114.66 1vj6 h LEU 25 Ca 0.00 -0.81 0.00 0.00 0.09 0.00 0.00 57.88 57.16 1vj6 h LEU 25 Cb 0.00 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.61 1vj6 h LEU 25 CO 0.00 1.22 0.00 0.61 0.09 0.00 0.00 178.44 180.36 1vj6 n GLY 26 N 1.21 0.92 3.21 0.83 0.00 -1.26 0.05 105.19 110.14 1vj6 n GLY 26 Ca -0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.97 1.73 -0.47 -0.61 -4.36 -1.26 -3.00 121.20 112.26 1vj6 s ILE 27 Ca 0.00 -0.90 -0.29 0.00 -0.26 0.00 0.00 60.65 59.20 1vj6 s ILE 27 Cb 0.00 -1.46 0.03 0.00 1.25 0.00 0.00 42.46 42.28 1vj6 s ILE 27 CO 0.00 0.49 1.13 -0.44 0.24 0.00 0.00 174.94 176.36 1vj6 s SER 28 N -0.22 6.65 -0.20 4.36 0.01 -0.89 -5.02 113.70 118.40 1vj6 s SER 28 Ca 0.01 0.50 -0.21 0.00 1.31 0.00 0.00 55.95 57.56 1vj6 s SER 28 Cb -0.11 -2.55 -0.02 0.00 0.21 0.00 0.00 66.02 63.55 1vj6 s SER 28 CO 0.02 -1.23 0.65 0.68 0.41 0.00 0.00 173.24 173.77 1vj6 s VAL 29 N 4.39 5.01 0.41 3.43 -7.23 -1.26 -0.41 120.40 124.74 1vj6 s VAL 29 Ca 0.48 1.22 0.06 0.00 -1.81 0.00 0.00 61.98 61.92 1vj6 s VAL 29 Cb -0.07 -3.96 -0.07 0.00 0.56 0.00 0.00 36.38 32.84 1vj6 s VAL 29 CO 0.31 0.10 0.02 0.28 -0.31 0.00 0.00 175.10 175.50 1vj6 s THR 30 N 1.93 1.73 0.00 5.32 -1.32 0.07 -4.89 115.64 118.47 1vj6 s THR 30 Ca 0.29 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.77 1vj6 s THR 30 Cb -0.16 -2.86 0.00 0.00 -1.51 0.00 0.00 72.50 67.97 1vj6 s THR 30 CO 0.10 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.12 1vj6 n GLY 31 N -0.95 0.53 0.00 6.08 0.00 -1.26 -0.71 105.19 108.88 1vj6 n GLY 31 Ca -0.06 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.01 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 -0.70 0.09 -0.02 0.00 -0.94 -4.43 105.19 99.19 1vj6 n GLY 32 Ca 0.00 -1.68 0.09 0.00 0.00 0.00 0.00 46.02 44.43 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 -0.74 1.08 0.19 1.61 3.14 0.62 -1.00 118.33 123.23 1vj6 n VAL 33 Ca 0.00 0.38 0.07 0.00 -2.96 0.00 0.00 64.34 61.83 1vj6 n VAL 33 Cb 0.00 -1.29 0.29 0.00 -1.06 0.00 0.00 33.84 31.78 1vj6 n VAL 33 CO 0.00 0.00 0.00 -1.13 -6.46 0.00 0.00 176.83 169.24 1vj6 h ASN 34 N 0.00 0.00 -4.71 6.55 -1.24 -1.82 -3.45 115.58 110.91 1vj6 h ASN 34 Ca 0.00 0.00 -0.19 0.00 0.71 0.00 0.00 56.30 56.82 1vj6 h ASN 34 Cb 0.21 0.00 0.02 0.00 0.73 0.00 0.00 38.32 39.28 1vj6 h ASN 34 CO 0.00 0.33 0.00 0.35 -1.29 0.00 0.00 177.43 176.82 1vj6 n THR 35 N -3.36 0.00 -3.21 -3.57 -2.24 -0.17 -5.04 114.28 96.69 1vj6 n THR 35 Ca 0.01 -0.72 -0.46 0.00 -2.27 0.00 0.00 64.05 60.60 1vj6 n THR 35 Cb 0.54 -0.95 -0.02 0.00 -2.10 0.00 0.00 70.33 67.80 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 -2.52 6.67 0.14 3.42 0.15 -1.26 -4.88 113.70 115.40 1vj6 s SER 36 Ca 0.25 -2.40 0.01 0.00 0.70 0.00 0.00 55.95 54.51 1vj6 s SER 36 Cb -0.02 -2.27 0.01 0.00 -1.71 0.00 0.00 66.02 62.03 1vj6 s SER 36 CO 0.16 -0.75 0.07 1.33 1.20 0.00 0.00 173.24 175.26 1vj6 n VAL 37 N 4.53 0.00 -0.64 4.45 0.24 -1.26 -5.01 118.33 120.64 1vj6 n VAL 37 Ca 0.14 -0.57 -0.05 0.00 -2.04 0.00 0.00 64.34 61.82 1vj6 n VAL 37 Cb 0.47 -0.24 -0.08 0.00 -1.47 0.00 0.00 33.84 32.53 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 -0.68 1.27 -3.48 7.34 0.00 -1.26 -4.46 116.66 115.39 1vj6 n ARG 38 Ca -0.02 -0.45 -0.21 0.00 -0.00 0.00 0.00 57.85 57.17 1vj6 n ARG 38 Cb 0.16 -1.54 0.07 0.00 0.00 0.00 0.00 32.46 31.16 1vj6 n ARG 38 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.63 179.21 1vj6 n HIS 39 N 2.13 -2.58 0.00 -0.14 -0.00 -1.26 -4.77 115.22 108.60 1vj6 n HIS 39 Ca 0.19 0.91 0.00 0.00 -0.00 0.00 0.00 57.72 58.83 1vj6 n HIS 39 Cb 0.60 -4.64 0.00 0.00 -0.00 0.00 0.00 29.99 25.95 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 -1.84 1.65 0.00 1.57 0.00 -1.26 -4.48 105.19 100.83 1vj6 n GLY 40 Ca -0.00 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.91 1vj6 n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vj6 n GLY 41 N 2.26 1.43 3.70 -0.02 0.00 -1.12 -4.64 105.19 106.80 1vj6 n GLY 41 Ca 0.00 -0.45 -0.24 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.00 3.84 0.05 -0.61 1.10 -0.97 -2.21 121.20 120.40 1vj6 s ILE 42 Ca 0.00 -1.57 0.01 0.00 -0.51 0.00 0.00 60.65 58.59 1vj6 s ILE 42 Cb 0.00 -3.01 -0.03 0.00 0.15 0.00 0.00 42.46 39.57 1vj6 s ILE 42 CO 0.00 -0.26 -0.06 -0.31 -2.11 0.00 0.00 174.94 172.20 1vj6 s TYR 43 N -2.03 0.63 -0.30 3.50 1.51 0.11 0.17 117.35 120.95 1vj6 s TYR 43 Ca 0.30 -0.65 -0.20 0.00 -1.01 0.00 0.00 57.07 55.52 1vj6 s TYR 43 Cb -0.08 -0.39 -0.01 0.00 -0.11 0.00 0.00 41.96 41.37 1vj6 s TYR 43 CO 0.21 -0.14 0.60 0.08 -1.11 0.00 0.00 175.55 175.19 1vj6 s VAL 44 N -2.11 4.97 0.06 0.71 1.01 -0.42 -0.76 120.40 123.86 1vj6 s VAL 44 Ca -0.05 0.85 -0.01 0.00 0.00 0.00 0.00 61.98 62.77 1vj6 s VAL 44 Cb -0.05 -3.96 -0.27 0.00 0.00 0.00 0.00 36.38 32.10 1vj6 s VAL 44 CO -0.02 -0.09 1.07 0.50 0.00 0.00 0.00 175.10 176.56 1vj6 h LYS 45 N 8.15 0.20 -2.19 2.72 1.63 -1.08 -0.68 116.57 125.32 1vj6 h LYS 45 Ca -0.27 -0.34 -0.07 0.00 -0.85 0.00 0.00 60.65 59.12 1vj6 h LYS 45 Cb 1.12 0.13 -0.20 0.00 -0.60 0.00 0.00 32.23 32.68 1vj6 h LYS 45 CO 0.78 1.11 0.08 0.00 -3.45 0.00 0.00 179.45 177.97 1vj6 s ALA 46 N -2.65 -1.58 -0.26 5.00 0.00 -1.24 -4.68 121.76 116.33 1vj6 s ALA 46 Ca -0.04 1.39 -0.10 0.00 0.00 0.00 0.00 51.96 53.20 1vj6 s ALA 46 Cb 0.08 -0.40 -0.05 0.00 0.00 0.00 0.00 23.12 22.75 1vj6 s ALA 46 CO 0.86 -0.33 0.17 0.42 0.00 0.00 0.00 175.76 176.87 1vj6 s ILE 47 N -0.62 5.20 0.42 0.00 -1.09 -1.26 -2.10 121.20 121.75 1vj6 s ILE 47 Ca -0.07 0.13 -0.22 0.00 -2.23 0.00 0.00 60.65 58.26 1vj6 s ILE 47 Cb -0.02 -3.46 -0.10 0.00 -1.58 0.00 0.00 42.46 37.30 1vj6 s ILE 47 CO 0.06 0.29 0.98 0.27 -1.23 0.00 0.00 174.94 175.31 1vj6 s ILE 48 N 1.51 4.15 -1.38 2.92 -4.36 -1.16 -4.96 121.20 117.91 1vj6 s ILE 48 Ca 0.07 1.45 -0.10 0.00 -0.26 0.00 0.00 60.65 61.82 1vj6 s ILE 48 Cb -0.15 -3.66 0.09 0.00 1.25 0.00 0.00 42.46 39.99 1vj6 s ILE 48 CO 0.08 -0.17 2.23 -0.81 0.24 0.00 0.00 174.94 176.50 1vj6 n PRO 49 N -0.41 3.65 0.00 0.37 -0.04 -1.26 -4.20 135.00 133.11 1vj6 n PRO 49 Ca 0.06 -3.09 0.00 0.00 -0.04 0.00 0.00 63.50 60.43 1vj6 n PRO 49 Cb 0.52 -2.94 0.00 0.00 -0.04 0.00 0.00 33.50 31.05 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 3.93 0.00 -3.83 0.54 2.85 -1.26 -5.18 118.16 115.20 1vj6 n LYS 50 Ca 0.53 0.00 -0.10 0.00 -1.05 0.00 0.00 58.31 57.69 1vj6 n LYS 50 Cb 0.33 0.00 0.02 0.00 -0.65 0.00 0.00 35.03 34.73 1vj6 n LYS 50 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 1vj6 s GLY 51 N 0.00 0.54 -0.02 2.58 0.00 -1.26 -4.93 107.32 104.23 1vj6 s GLY 51 Ca 0.00 -0.87 0.15 0.00 0.00 0.00 0.00 44.72 44.00 1vj6 s GLY 51 CO 0.00 -0.40 0.65 0.00 0.00 0.00 0.00 173.10 173.34 1vj6 n ALA 52 N -0.54 1.69 -0.09 3.20 0.00 0.11 -4.11 120.51 120.76 1vj6 n ALA 52 Ca -0.08 -0.75 -0.14 0.00 0.00 0.00 0.00 53.44 52.48 1vj6 n ALA 52 Cb 0.60 -0.81 -0.04 0.00 0.00 0.00 0.00 19.45 19.20 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 1.18 0.44 -0.86 0.00 0.00 -1.31 -2.02 119.26 116.70 1vj6 h ALA 53 Ca -0.27 -0.44 0.15 0.00 0.00 0.00 0.00 54.91 54.35 1vj6 h ALA 53 Cb 1.86 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 19.50 1vj6 h ALA 53 CO 0.06 0.52 0.56 1.49 0.00 0.00 0.00 179.25 181.88 1vj6 h GLU 54 N 0.52 0.57 0.00 0.00 4.81 -1.83 -2.30 114.58 116.36 1vj6 h GLU 54 Ca 0.04 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1vj6 h GLU 54 Cb 0.96 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.21 1vj6 h GLU 54 CO 0.09 0.38 0.00 0.45 -0.73 0.00 0.00 179.01 179.20 1vj6 n SER 55 N -4.54 0.00 0.00 1.04 2.88 -0.77 -2.73 113.62 109.50 1vj6 n SER 55 Ca 0.17 -0.95 0.00 0.00 -1.33 0.00 0.00 58.87 56.76 1vj6 n SER 55 Cb 0.51 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.97 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 -0.88 0.00 0.00 -3.46 2.03 -0.87 -5.04 116.55 108.33 1vj6 n ASP 56 Ca 0.14 0.14 0.00 0.00 0.52 0.00 0.00 54.79 55.59 1vj6 n ASP 56 Cb 0.06 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.46 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 1.18 1.02 0.10 0.27 0.00 -1.11 -5.00 105.19 101.65 1vj6 n GLY 57 Ca 0.00 0.00 -0.03 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 0.00 0.00 -6.69 1.61 3.08 -1.88 -3.46 114.38 107.05 1vj6 h ARG 58 Ca 0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.52 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 0.69 0.73 0.42 -1.07 0.00 0.00 179.97 180.75 1vj6 s ILE 59 N -2.82 2.90 0.39 2.04 1.01 -1.26 -5.04 121.20 118.42 1vj6 s ILE 59 Ca 0.01 0.73 0.02 0.00 0.00 0.00 0.00 60.65 61.42 1vj6 s ILE 59 Cb 0.09 -3.46 -0.01 0.00 0.01 0.00 0.00 42.46 39.08 1vj6 s ILE 59 CO 0.79 0.10 0.09 0.00 0.00 0.00 0.00 174.94 175.92 1vj6 n HIS 60 N 2.75 0.41 -2.40 3.97 1.44 -1.26 -4.93 115.22 115.20 1vj6 n HIS 60 Ca 0.08 -2.28 -0.41 0.00 -2.01 0.00 0.00 57.72 53.09 1vj6 n HIS 60 Cb 0.41 -0.10 -0.03 0.00 0.12 0.00 0.00 29.99 30.40 1vj6 n HIS 60 CO 0.00 0.00 0.00 -1.59 -2.81 0.00 0.00 176.34 171.94 1vj6 s LYS 61 N -3.45 3.21 0.00 -1.40 -2.85 -1.26 -3.33 119.74 110.66 1vj6 s LYS 61 Ca 0.12 0.30 0.00 0.00 -1.00 0.00 0.00 55.97 55.39 1vj6 s LYS 61 Cb 0.01 -4.16 0.00 0.00 -2.06 0.00 0.00 37.83 31.61 1vj6 s LYS 61 CO 0.09 -2.07 0.00 0.41 0.10 0.00 0.00 175.35 173.88 1vj6 n GLY 62 N 5.33 0.63 3.81 0.59 0.00 -0.26 -4.97 105.19 110.32 1vj6 n GLY 62 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 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 5.63 -0.24 1.61 1.01 -1.21 -4.57 116.67 118.90 1vj6 s ASP 63 Ca 0.00 1.74 -0.08 0.00 0.71 0.00 0.00 52.55 54.92 1vj6 s ASP 63 Cb 0.00 -2.52 -0.04 0.00 1.01 0.00 0.00 42.92 41.37 1vj6 s ASP 63 CO 0.00 -1.27 0.10 -0.60 0.21 0.00 0.00 175.17 173.60 1vj6 s ARG 64 N -4.43 3.80 -0.36 8.23 3.00 -0.96 -1.30 118.95 126.93 1vj6 s ARG 64 Ca 0.61 -0.41 -0.18 0.00 -1.00 0.00 0.00 55.73 54.76 1vj6 s ARG 64 Cb -0.15 -3.37 -0.00 0.00 0.00 0.00 0.00 34.95 31.42 1vj6 s ARG 64 CO 0.43 -0.08 0.48 0.08 0.00 0.00 0.00 175.30 176.22 1vj6 s VAL 65 N 1.36 5.04 -0.22 7.11 1.01 0.13 -0.12 120.40 134.70 1vj6 s VAL 65 Ca 0.06 0.22 0.02 0.00 0.00 0.00 0.00 61.98 62.28 1vj6 s VAL 65 Cb -0.15 -3.95 -0.20 0.00 0.00 0.00 0.00 36.38 32.08 1vj6 s VAL 65 CO 0.05 -0.23 -0.07 0.00 0.00 0.00 0.00 175.10 174.85 1vj6 n LEU 66 N 5.69 2.61 -3.72 3.92 -0.00 -0.01 -2.30 117.00 123.18 1vj6 n LEU 66 Ca -0.06 -0.05 -0.10 0.00 -0.00 0.00 0.00 56.01 55.81 1vj6 n LEU 66 Cb 0.49 -0.80 -0.06 0.00 -0.00 0.00 0.00 43.42 43.05 1vj6 n LEU 66 CO 0.45 0.87 0.07 0.00 -0.00 0.00 0.00 177.39 178.77 1vj6 s ALA 67 N -2.53 -0.66 -0.16 1.47 0.00 -1.04 -0.97 121.76 117.88 1vj6 s ALA 67 Ca -0.30 -0.27 -0.02 0.00 0.00 0.00 0.00 51.96 51.37 1vj6 s ALA 67 Cb 0.08 0.62 0.05 0.00 0.00 0.00 0.00 23.12 23.88 1vj6 s ALA 67 CO 0.66 -0.60 0.02 0.08 0.00 0.00 0.00 175.76 175.92 1vj6 s VAL 68 N -3.83 0.54 -0.90 0.00 1.01 0.33 -0.31 120.40 117.25 1vj6 s VAL 68 Ca 0.04 -0.38 -0.09 0.00 0.00 0.00 0.00 61.98 61.56 1vj6 s VAL 68 Cb 0.03 -0.92 0.08 0.00 0.00 0.00 0.00 36.38 35.57 1vj6 s VAL 68 CO -0.11 -0.05 0.28 -0.46 0.00 0.00 0.00 175.10 174.76 1vj6 n ASN 69 N 5.06 -2.16 0.00 3.32 0.23 -0.13 -0.65 115.26 120.93 1vj6 n ASN 69 Ca -0.09 -0.20 0.00 0.00 -0.53 0.00 0.00 54.58 53.76 1vj6 n ASN 69 Cb 0.48 -1.88 0.00 0.00 -2.08 0.00 0.00 39.78 36.30 1vj6 n ASN 69 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1vj6 n GLY 70 N -0.84 0.47 3.13 4.83 0.00 -1.26 -5.01 105.19 106.49 1vj6 n GLY 70 Ca 0.01 -0.94 -0.37 0.00 0.00 0.00 0.00 46.02 44.72 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 3.55 0.40 1.61 1.01 0.17 -5.09 120.40 120.06 1vj6 s VAL 71 Ca 0.00 -2.28 -0.25 0.00 0.00 0.00 0.00 61.98 59.45 1vj6 s VAL 71 Cb 0.00 -3.38 -0.08 0.00 0.00 0.00 0.00 36.38 32.91 1vj6 s VAL 71 CO 0.00 -0.76 1.17 -0.94 0.00 0.00 0.00 175.10 174.57 1vj6 s SER 72 N 1.62 6.49 -1.02 3.32 1.04 -1.26 -0.51 113.70 123.38 1vj6 s SER 72 Ca 0.10 2.35 -0.07 0.00 0.48 0.00 0.00 55.95 58.81 1vj6 s SER 72 Cb -0.22 -2.61 -0.04 0.00 0.10 0.00 0.00 66.02 63.24 1vj6 s SER 72 CO -0.04 -0.70 2.90 0.18 0.98 0.00 0.00 173.24 176.56 1vj6 n LEU 73 N 0.03 7.49 -0.73 2.42 4.77 -0.14 -4.77 117.00 126.07 1vj6 n LEU 73 Ca 0.05 -4.24 0.00 0.00 -0.03 0.00 0.00 56.01 51.79 1vj6 n LEU 73 Cb 0.47 -1.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.14 1vj6 n LEU 73 CO 0.50 1.94 0.31 1.21 -1.33 0.00 0.00 177.39 180.03 1vj6 n GLU 74 N 2.37 0.86 0.00 3.23 4.07 -1.26 -2.78 120.64 127.13 1vj6 n GLU 74 Ca 0.62 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.72 1vj6 n GLU 74 Cb 0.42 -1.27 0.00 0.00 -0.06 0.00 0.00 31.44 30.54 1vj6 n GLU 74 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1vj6 n GLY 75 N 0.30 0.00 3.87 8.31 0.00 -1.26 -4.78 105.19 111.63 1vj6 n GLY 75 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 0.00 3.87 0.20 4.61 0.00 -1.21 -4.83 121.76 124.41 1vj6 s ALA 76 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.11 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 0.78 0.00 0.25 0.00 0.00 0.00 175.76 176.79 1vj6 n THR 77 N 0.61 0.00 0.22 0.00 -2.24 -1.26 -0.27 114.28 111.33 1vj6 n THR 77 Ca -0.08 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.55 1vj6 n THR 77 Cb 0.52 -1.17 -0.08 0.00 -2.10 0.00 0.00 70.33 67.50 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 -0.50 -0.43 4.78 2.76 -1.93 -1.60 115.15 118.23 1vj6 h HIS 78 Ca 0.00 -0.01 -0.12 0.00 -2.20 0.00 0.00 60.37 58.03 1vj6 h HIS 78 Cb 0.00 0.16 -0.01 0.00 1.55 0.00 0.00 27.41 29.11 1vj6 h HIS 78 CO 0.00 -0.21 -0.23 -0.22 -1.30 0.00 0.00 177.93 175.98 1vj6 h LYS 79 N -0.73 0.88 -0.41 5.26 3.64 -1.98 -1.62 116.57 121.60 1vj6 h LYS 79 Ca -0.05 -0.37 -0.13 0.00 -1.27 0.00 0.00 60.65 58.82 1vj6 h LYS 79 Cb 0.51 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.29 1vj6 h LYS 79 CO 0.09 1.02 -0.27 1.96 -2.27 0.00 0.00 179.45 179.98 1vj6 h GLN 80 N 0.77 0.88 -0.51 1.90 4.20 -1.93 -2.64 115.11 117.78 1vj6 h GLN 80 Ca 0.10 -0.39 -0.10 0.00 0.06 0.00 0.00 58.65 58.32 1vj6 h GLN 80 Cb 0.77 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.51 1vj6 h GLN 80 CO 0.06 1.04 -0.06 0.00 -0.67 0.00 0.00 178.83 179.20 1vj6 h ALA 81 N 0.93 0.92 0.15 3.87 0.00 -1.16 -2.06 119.26 121.92 1vj6 h ALA 81 Ca 0.09 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.70 1vj6 h ALA 81 Cb 0.83 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1vj6 h ALA 81 CO 0.07 0.63 -0.27 0.28 0.00 0.00 0.00 179.25 179.96 1vj6 h VAL 82 N 0.83 0.41 -0.94 0.00 2.07 -1.25 -2.15 116.25 115.20 1vj6 h VAL 82 Ca 0.14 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.83 1vj6 h VAL 82 Cb 0.58 0.41 -0.10 0.00 -1.52 0.00 0.00 31.29 30.66 1vj6 h VAL 82 CO 0.04 0.00 0.54 -0.33 0.02 0.00 0.00 177.57 177.84 1vj6 h GLU 83 N -0.51 0.71 0.00 1.57 4.39 -1.40 0.13 114.58 119.47 1vj6 h GLU 83 Ca 0.02 -0.04 -0.05 0.00 0.34 0.00 0.00 59.36 59.63 1vj6 h GLU 83 Cb 0.52 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.00 1vj6 h GLU 83 CO -0.14 0.47 -0.25 1.15 -1.16 0.00 0.00 179.01 179.08 1vj6 h THR 84 N 0.73 0.64 0.12 1.13 2.02 -0.84 0.10 112.91 116.82 1vj6 h THR 84 Ca 0.52 -1.13 -0.37 0.00 0.77 0.00 0.00 66.41 66.20 1vj6 h THR 84 Cb 0.76 1.74 -0.02 0.00 -1.74 0.00 0.00 68.15 68.89 1vj6 h THR 84 CO -0.36 0.24 -2.02 0.18 0.37 0.00 0.00 175.52 173.93 1vj6 n LEU 85 N -3.47 2.65 -0.03 2.58 4.77 -0.86 -4.67 117.00 117.97 1vj6 n LEU 85 Ca -0.00 0.19 -0.15 0.00 -0.03 0.00 0.00 56.01 56.02 1vj6 n LEU 85 Cb 0.42 -1.11 -0.10 0.00 -2.33 0.00 0.00 43.42 40.30 1vj6 n LEU 85 CO 0.34 0.85 0.45 -0.09 -1.33 0.00 0.00 177.39 177.61 1vj6 h ARG 86 N 0.05 0.26 -1.33 3.23 1.12 -0.58 -3.35 114.38 113.77 1vj6 h ARG 86 Ca -0.43 -0.22 -0.11 0.00 -1.11 0.00 0.00 59.98 58.11 1vj6 h ARG 86 Cb 2.02 0.05 -0.06 0.00 -0.01 0.00 0.00 29.97 31.96 1vj6 h ARG 86 CO 0.07 0.87 0.15 -1.71 -3.11 0.00 0.00 179.97 176.24 1vj6 n ASN 87 N -4.49 4.24 -4.86 -3.80 4.05 0.33 -4.89 115.26 105.85 1vj6 n ASN 87 Ca -0.09 -2.46 -0.28 0.00 0.45 0.00 0.00 54.58 52.20 1vj6 n ASN 87 Cb 0.48 -0.79 -0.05 0.00 1.23 0.00 0.00 39.78 40.65 1vj6 n ASN 87 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 177.26 174.63 1vj6 s THR 88 N -0.76 4.89 -1.56 -0.44 -4.23 -1.26 -5.02 115.64 107.26 1vj6 s THR 88 Ca 0.12 -0.80 -0.10 0.00 -1.18 0.00 0.00 61.69 59.72 1vj6 s THR 88 Cb 0.10 -3.46 -0.04 0.00 1.34 0.00 0.00 72.50 70.43 1vj6 s THR 88 CO 0.01 -0.03 2.75 0.61 -0.54 0.00 0.00 174.62 177.42 1vj6 n GLY 89 N -0.18 4.39 5.00 3.99 0.00 -1.26 -4.78 105.19 112.36 1vj6 n GLY 89 Ca -0.07 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.36 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 3.85 0.00 -2.71 1.61 7.27 -1.26 -4.85 117.38 121.30 1vj6 n GLN 90 Ca 0.71 0.00 -0.42 0.00 0.07 0.00 0.00 57.00 57.36 1vj6 n GLN 90 Cb 0.26 0.00 -0.03 0.00 2.41 0.00 0.00 30.24 32.89 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 0.00 4.82 -0.31 1.69 1.01 -1.26 -2.70 120.40 123.65 1vj6 s VAL 91 Ca 0.00 2.03 0.04 0.00 0.00 0.00 0.00 61.98 64.05 1vj6 s VAL 91 Cb 0.00 -4.31 0.08 0.00 0.00 0.00 0.00 36.38 32.15 1vj6 s VAL 91 CO 0.00 0.07 -0.02 -0.69 0.00 0.00 0.00 175.10 174.46 1vj6 s VAL 92 N 1.61 2.22 -0.66 2.92 1.01 0.20 -4.89 120.40 122.82 1vj6 s VAL 92 Ca 0.49 -2.05 -0.28 0.00 0.00 0.00 0.00 61.98 60.15 1vj6 s VAL 92 Cb -0.19 -2.51 0.03 0.00 0.00 0.00 0.00 36.38 33.70 1vj6 s VAL 92 CO 0.22 -0.36 1.29 -1.00 0.00 0.00 0.00 175.10 175.25 1vj6 s HIS 93 N 0.99 2.37 -0.37 5.22 3.76 -1.26 -2.23 115.29 123.77 1vj6 s HIS 93 Ca 0.03 0.21 -0.23 0.00 -0.15 0.00 0.00 55.06 54.92 1vj6 s HIS 93 Cb -0.19 -4.54 0.01 0.00 1.11 0.00 0.00 32.58 28.97 1vj6 s HIS 93 CO -0.07 -1.91 0.78 -0.51 -0.85 0.00 0.00 174.74 172.19 1vj6 s LEU 94 N 5.65 4.14 -0.78 0.89 1.43 0.16 -0.96 118.68 129.22 1vj6 s LEU 94 Ca 0.41 0.29 -0.21 0.00 -1.03 0.00 0.00 54.13 53.60 1vj6 s LEU 94 Cb -0.08 -3.01 0.09 0.00 0.03 0.00 0.00 46.19 43.21 1vj6 s LEU 94 CO 0.20 -0.75 1.05 -0.22 0.23 0.00 0.00 176.35 176.86 1vj6 s LEU 95 N 3.12 4.57 -0.08 1.79 0.20 0.58 -1.13 118.68 127.73 1vj6 s LEU 95 Ca 0.31 -1.40 -0.03 0.00 0.69 0.00 0.00 54.13 53.70 1vj6 s LEU 95 Cb -0.13 -2.42 -0.04 0.00 -0.43 0.00 0.00 46.19 43.17 1vj6 s LEU 95 CO 0.18 -1.31 0.07 -0.76 -0.29 0.00 0.00 176.35 174.24 1vj6 s LEU 96 N 3.62 3.96 -0.08 -0.68 1.43 -0.34 -0.83 118.68 125.76 1vj6 s LEU 96 Ca 0.27 0.27 0.00 0.00 -1.03 0.00 0.00 54.13 53.64 1vj6 s LEU 96 Cb -0.12 -2.02 -0.03 0.00 0.03 0.00 0.00 46.19 44.06 1vj6 s LEU 96 CO 0.02 0.37 -0.06 -0.70 0.23 0.00 0.00 176.35 176.21 1vj6 s GLU 97 N -1.13 2.87 -0.28 1.70 2.12 0.83 -0.57 118.70 124.24 1vj6 s GLU 97 Ca 0.16 -0.52 -0.28 0.00 0.36 0.00 0.00 54.97 54.68 1vj6 s GLU 97 Cb -0.12 -2.65 -0.03 0.00 0.26 0.00 0.00 34.13 31.59 1vj6 s GLU 97 CO 0.06 0.63 1.95 0.21 -0.54 0.00 0.00 175.26 177.56 1vj6 s LYS 98 N -0.71 3.28 -0.77 4.30 2.47 -0.15 -2.28 119.74 125.89 1vj6 s LYS 98 Ca 0.11 1.66 -0.03 0.00 -1.56 0.00 0.00 55.97 56.14 1vj6 s LYS 98 Cb -0.11 -4.26 0.17 0.00 -1.46 0.00 0.00 37.83 32.18 1vj6 s LYS 98 CO 0.02 -1.93 2.41 0.41 0.16 0.00 0.00 175.35 176.42 1vj6 n GLY 99 N 5.53 5.00 3.38 5.54 0.00 -1.26 -4.29 105.19 119.08 1vj6 n GLY 99 Ca 0.25 -2.15 -0.30 0.00 0.00 0.00 0.00 46.02 43.83 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 -2.53 1.65 0.44 1.61 2.00 -1.26 -4.74 119.66 116.83 1vj6 s GLN 100 Ca 0.54 -1.21 -0.16 0.00 -2.00 0.00 0.00 55.36 52.53 1vj6 s GLN 100 Cb 0.34 -1.97 -0.08 0.00 0.80 0.00 0.00 33.01 32.10 1vj6 s GLN 100 CO -0.24 0.49 0.89 0.14 -0.50 0.00 0.00 175.29 176.06 1vj6 s VAL 101 N -0.95 4.57 -2.00 1.34 -7.23 -1.26 -4.73 120.40 110.15 1vj6 s VAL 101 Ca 0.13 1.12 0.20 0.00 -1.81 0.00 0.00 61.98 61.62 1vj6 s VAL 101 Cb -0.10 -3.68 0.57 0.00 0.56 0.00 0.00 36.38 33.74 1vj6 s VAL 101 CO 0.05 -0.49 1.59 -0.81 -0.31 0.00 0.00 175.10 175.13