#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 3.39 -0.11 0.03 1.02 -1.26 -4.84 119.74 117.97 1vj6 s LYS 9 Ca 0.00 -0.21 -0.30 0.00 0.02 0.00 0.00 55.97 55.47 1vj6 s LYS 9 Cb 0.00 -3.10 -0.08 0.00 -0.52 0.00 0.00 37.83 34.13 1vj6 s LYS 9 CO 0.00 0.71 2.07 -2.30 -0.92 0.00 0.00 175.35 174.92 1vj6 n PRO 10 N 2.17 2.30 0.00 -1.68 -0.02 -1.26 -3.11 135.00 133.40 1vj6 n PRO 10 Ca -0.19 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 1vj6 n PRO 10 Cb 0.54 -3.01 0.00 0.00 -0.02 0.00 0.00 33.50 31.02 1vj6 n PRO 10 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1vj6 n GLY 11 N 5.14 0.34 3.53 -1.23 0.00 -1.26 -5.09 105.19 106.61 1vj6 n GLY 11 Ca 0.26 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.85 1vj6 n GLY 11 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1vj6 s ASP 12 N -0.31 6.37 0.23 1.61 1.01 -1.18 -5.02 116.67 119.38 1vj6 s ASP 12 Ca 0.00 -0.22 -0.00 0.00 0.71 0.00 0.00 52.55 53.04 1vj6 s ASP 12 Cb 0.00 -2.36 -0.04 0.00 1.01 0.00 0.00 42.92 41.53 1vj6 s ASP 12 CO 0.00 -0.88 0.41 0.42 0.21 0.00 0.00 175.17 175.33 1vj6 s THR 13 N 3.14 5.19 -0.03 -1.27 -4.23 -1.26 -3.00 115.64 114.18 1vj6 s THR 13 Ca 0.27 -0.43 0.02 0.00 -1.18 0.00 0.00 61.69 60.37 1vj6 s THR 13 Cb -0.13 -3.76 0.01 0.00 1.34 0.00 0.00 72.50 69.96 1vj6 s THR 13 CO 0.21 -0.24 -0.06 0.72 -0.54 0.00 0.00 174.62 174.70 1vj6 s PHE 14 N -1.95 0.77 -0.86 3.99 -0.71 -0.17 -4.99 117.98 114.07 1vj6 s PHE 14 Ca 0.38 -0.20 0.00 0.00 -1.04 0.00 0.00 56.93 56.08 1vj6 s PHE 14 Cb -0.11 -0.61 0.24 0.00 -1.21 0.00 0.00 43.02 41.33 1vj6 s PHE 14 CO 0.30 -0.13 0.89 0.39 -1.34 0.00 0.00 175.22 175.33 1vj6 n GLU 15 N 3.61 2.90 -3.01 1.99 1.02 -1.26 -0.99 120.64 124.90 1vj6 n GLU 15 Ca -0.21 -4.54 -0.41 0.00 -0.02 0.00 0.00 57.16 51.98 1vj6 n GLU 15 Cb 0.53 -2.39 -0.05 0.00 -0.02 0.00 0.00 31.44 29.51 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 -1.89 4.89 -0.23 2.62 1.01 0.03 -4.82 120.40 122.01 1vj6 s VAL 16 Ca 0.31 1.22 -0.11 0.00 0.00 0.00 0.00 61.98 63.41 1vj6 s VAL 16 Cb 0.00 -4.05 -0.05 0.00 0.00 0.00 0.00 36.38 32.29 1vj6 s VAL 16 CO -0.06 -0.09 0.17 -1.83 0.00 0.00 0.00 175.10 173.28 1vj6 s GLU 17 N 2.73 4.11 0.23 2.72 1.03 -1.26 0.43 118.70 128.68 1vj6 s GLU 17 Ca 0.30 -0.23 -0.08 0.00 0.03 0.00 0.00 54.97 54.99 1vj6 s GLU 17 Cb -0.15 -3.51 -0.02 0.00 -0.80 0.00 0.00 34.13 29.66 1vj6 s GLU 17 CO 0.10 0.12 0.35 -0.48 -1.33 0.00 0.00 175.26 174.01 1vj6 s LEU 18 N 0.88 0.64 0.07 1.83 2.34 -0.77 -4.97 118.68 118.69 1vj6 s LEU 18 Ca 0.08 -1.09 0.06 0.00 0.06 0.00 0.00 54.13 53.23 1vj6 s LEU 18 Cb -0.13 1.25 -0.04 0.00 -0.56 0.00 0.00 46.19 46.71 1vj6 s LEU 18 CO 0.03 -1.02 -0.07 0.00 -1.06 0.00 0.00 176.35 174.22 1vj6 s ALA 19 N -4.07 3.03 0.31 1.48 0.00 -1.26 -0.31 121.76 120.94 1vj6 s ALA 19 Ca 0.28 -1.15 -0.20 0.00 0.00 0.00 0.00 51.96 50.88 1vj6 s ALA 19 Cb 0.02 -1.02 -0.09 0.00 0.00 0.00 0.00 23.12 22.03 1vj6 s ALA 19 CO 0.10 0.64 0.83 0.15 0.00 0.00 0.00 175.76 177.48 1vj6 s LYS 20 N -1.98 4.27 -0.79 0.00 3.01 -1.06 -4.78 119.74 118.40 1vj6 s LYS 20 Ca 0.21 0.99 -0.17 0.00 -1.01 0.00 0.00 55.97 55.99 1vj6 s LYS 20 Cb -0.11 -2.61 0.15 0.00 -1.01 0.00 0.00 37.83 34.25 1vj6 s LYS 20 CO 0.13 0.22 0.88 -0.08 0.51 0.00 0.00 175.35 177.01 1vj6 s THR 21 N -1.79 5.04 -0.89 2.17 -1.32 0.17 -4.60 115.64 114.42 1vj6 s THR 21 Ca 0.51 -1.69 -0.06 0.00 -1.21 0.00 0.00 61.69 59.25 1vj6 s THR 21 Cb -0.14 -4.59 0.00 0.00 -1.51 0.00 0.00 72.50 66.26 1vj6 s THR 21 CO 0.19 -1.24 0.66 0.47 -2.21 0.00 0.00 174.62 172.49 1vj6 n ASP 22 N 5.66 -5.47 -2.27 8.08 8.00 -1.26 -3.23 116.55 126.06 1vj6 n ASP 22 Ca 0.11 -0.82 -0.12 0.00 0.71 0.00 0.00 54.79 54.66 1vj6 n ASP 22 Cb 0.46 -2.67 0.05 0.00 -0.02 0.00 0.00 41.12 38.94 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 -1.73 0.08 3.15 0.44 0.00 -1.26 -5.02 105.19 100.86 1vj6 n GLY 23 Ca -0.20 -0.15 0.05 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.34 -0.90 0.01 1.61 1.04 -1.20 -4.97 113.70 105.95 1vj6 s SER 24 Ca 0.24 0.37 -0.22 0.00 0.48 0.00 0.00 55.95 56.82 1vj6 s SER 24 Cb -0.11 1.68 -0.18 0.00 0.10 0.00 0.00 66.02 67.52 1vj6 s SER 24 CO 0.41 -0.17 1.26 -0.07 0.98 0.00 0.00 173.24 175.65 1vj6 h LEU 25 N 7.85 0.27 0.00 2.42 3.38 -1.88 0.52 115.31 127.88 1vj6 h LEU 25 Ca -0.13 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.29 1vj6 h LEU 25 Cb 1.17 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1vj6 h LEU 25 CO 0.04 0.77 0.00 0.61 0.09 0.00 0.00 178.44 179.95 1vj6 n GLY 26 N 0.39 1.81 3.41 0.83 0.00 -1.26 -0.26 105.19 110.12 1vj6 n GLY 26 Ca -0.07 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 -1.81 3.84 -0.45 -0.61 -4.36 -1.26 -2.79 121.20 113.75 1vj6 s ILE 27 Ca 0.00 -0.34 -0.26 0.00 -0.26 0.00 0.00 60.65 59.79 1vj6 s ILE 27 Cb 0.00 -2.75 0.03 0.00 1.25 0.00 0.00 42.46 40.99 1vj6 s ILE 27 CO 0.00 0.42 0.94 -0.44 0.24 0.00 0.00 174.94 176.10 1vj6 s SER 28 N 1.20 6.53 0.19 4.36 0.01 -0.96 -5.01 113.70 120.02 1vj6 s SER 28 Ca 0.03 0.20 -0.29 0.00 1.31 0.00 0.00 55.95 57.20 1vj6 s SER 28 Cb -0.15 -2.46 -0.08 0.00 0.21 0.00 0.00 66.02 63.55 1vj6 s SER 28 CO 0.01 -1.05 0.91 0.68 0.41 0.00 0.00 173.24 174.20 1vj6 s VAL 29 N 3.79 4.25 0.29 3.43 -7.23 -1.26 -0.38 120.40 123.29 1vj6 s VAL 29 Ca 0.38 2.00 0.02 0.00 -1.81 0.00 0.00 61.98 62.57 1vj6 s VAL 29 Cb -0.10 -4.29 -0.05 0.00 0.56 0.00 0.00 36.38 32.51 1vj6 s VAL 29 CO 0.26 0.45 0.11 0.28 -0.31 0.00 0.00 175.10 175.89 1vj6 s THR 30 N -0.84 0.60 0.00 5.32 -1.32 -0.46 -4.79 115.64 114.15 1vj6 s THR 30 Ca 0.41 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.89 1vj6 s THR 30 Cb -0.25 -2.61 0.00 0.00 -1.51 0.00 0.00 72.50 68.13 1vj6 s THR 30 CO 0.30 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.32 1vj6 n GLY 31 N -0.56 0.32 0.00 6.08 0.00 -1.26 -0.30 105.19 109.47 1vj6 n GLY 31 Ca -0.01 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.72 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 2.14 0.38 -0.02 0.00 -0.80 -4.19 105.19 102.70 1vj6 n GLY 32 Ca 0.00 -1.88 0.17 0.00 0.00 0.00 0.00 46.02 44.31 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 0.77 0.00 1.61 3.04 -0.92 -1.10 116.25 119.65 1vj6 h VAL 33 Ca 0.00 -0.09 0.00 0.00 -1.01 0.00 0.00 66.70 65.60 1vj6 h VAL 33 Cb 0.00 0.47 0.00 0.00 -2.01 0.00 0.00 31.29 29.75 1vj6 h VAL 33 CO 0.00 0.05 -0.55 0.59 -1.01 0.00 0.00 177.57 176.65 1vj6 n ASN 34 N -4.44 0.54 0.00 3.17 3.02 -1.26 -4.70 115.26 111.59 1vj6 n ASN 34 Ca 0.13 -0.14 0.00 0.00 -0.03 0.00 0.00 54.58 54.54 1vj6 n ASN 34 Cb 0.57 0.24 0.00 0.00 -0.61 0.00 0.00 39.78 39.98 1vj6 n ASN 34 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1vj6 n THR 35 N -1.67 0.00 -2.80 3.41 -1.04 -0.42 -5.02 114.28 106.74 1vj6 n THR 35 Ca 0.05 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 62.02 1vj6 n THR 35 Cb 0.37 -0.08 0.01 0.00 -1.82 0.00 0.00 70.33 68.80 1vj6 n THR 35 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1vj6 s SER 36 N -1.00 -1.43 0.00 8.00 0.15 -1.24 -5.04 113.70 113.13 1vj6 s SER 36 Ca 0.00 -1.67 0.00 0.00 0.70 0.00 0.00 55.95 54.98 1vj6 s SER 36 Cb 0.00 1.88 0.00 0.00 -1.71 0.00 0.00 66.02 66.19 1vj6 s SER 36 CO 0.00 -0.06 0.00 1.33 1.20 0.00 0.00 173.24 175.71 1vj6 n VAL 37 N 3.06 0.00 0.01 4.45 0.24 -1.26 -4.94 118.33 119.90 1vj6 n VAL 37 Ca 0.18 0.00 -0.01 0.00 -2.04 0.00 0.00 64.34 62.47 1vj6 n VAL 37 Cb 0.56 -0.03 -0.00 0.00 -1.47 0.00 0.00 33.84 32.90 1vj6 n VAL 37 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 1vj6 h ARG 38 N 0.00 -0.04 0.00 7.34 9.65 -1.95 -3.47 114.38 125.91 1vj6 h ARG 38 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1vj6 h ARG 38 Cb 0.00 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.59 1vj6 h ARG 38 CO 0.00 -0.03 0.00 1.58 2.80 0.00 0.00 179.97 184.32 1vj6 n HIS 39 N -2.29 0.00 0.00 2.20 -0.00 -1.26 -5.11 115.22 108.75 1vj6 n HIS 39 Ca -0.01 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.17 1vj6 n HIS 39 Cb 0.02 0.03 0.00 0.00 -0.12 0.00 0.00 29.99 29.92 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 0.00 0.81 0.00 1.57 0.00 -1.26 -4.40 105.19 101.91 1vj6 n GLY 40 Ca 0.00 0.60 0.00 0.00 0.00 0.00 0.00 46.02 46.62 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 3.61 3.89 -0.02 0.00 -1.17 -4.71 105.19 106.79 1vj6 n GLY 41 Ca 0.00 -0.39 -0.23 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.54 4.87 0.11 -0.61 1.10 -0.85 -1.91 121.20 122.37 1vj6 s ILE 42 Ca 0.00 -1.12 0.03 0.00 -0.51 0.00 0.00 60.65 59.05 1vj6 s ILE 42 Cb 0.00 -3.61 -0.04 0.00 0.15 0.00 0.00 42.46 38.96 1vj6 s ILE 42 CO 0.00 -0.28 -0.08 -0.31 -2.11 0.00 0.00 174.94 172.15 1vj6 s TYR 43 N -1.98 1.03 -0.02 3.50 1.51 0.59 0.21 117.35 122.18 1vj6 s TYR 43 Ca 0.33 -0.80 -0.20 0.00 -1.01 0.00 0.00 57.07 55.40 1vj6 s TYR 43 Cb -0.09 -0.56 -0.05 0.00 -0.11 0.00 0.00 41.96 41.15 1vj6 s TYR 43 CO 0.27 -0.04 0.56 0.08 -1.11 0.00 0.00 175.55 175.30 1vj6 s VAL 44 N -3.22 4.97 -0.19 0.71 1.01 -0.83 -1.35 120.40 121.50 1vj6 s VAL 44 Ca 0.11 1.16 -0.01 0.00 0.00 0.00 0.00 61.98 63.25 1vj6 s VAL 44 Cb 0.02 -3.89 -0.22 0.00 0.00 0.00 0.00 36.38 32.29 1vj6 s VAL 44 CO -0.02 0.41 0.08 1.17 0.00 0.00 0.00 175.10 176.74 1vj6 n LYS 45 N 2.82 0.70 -3.75 2.72 0.00 0.49 -3.16 118.16 117.99 1vj6 n LYS 45 Ca -0.07 0.20 -0.13 0.00 0.00 0.00 0.00 58.31 58.31 1vj6 n LYS 45 Cb 0.51 -1.61 -0.11 0.00 0.00 0.00 0.00 35.03 33.82 1vj6 n LYS 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1vj6 s ALA 46 N -2.54 -0.84 -0.15 3.14 0.00 -1.22 -4.76 121.76 115.40 1vj6 s ALA 46 Ca -0.27 1.04 -0.10 0.00 0.00 0.00 0.00 51.96 52.63 1vj6 s ALA 46 Cb 0.08 -0.61 -0.05 0.00 0.00 0.00 0.00 23.12 22.54 1vj6 s ALA 46 CO 0.69 -0.18 0.18 0.42 0.00 0.00 0.00 175.76 176.87 1vj6 s ILE 47 N 0.45 5.41 0.02 0.00 -1.09 -1.26 -2.26 121.20 122.47 1vj6 s ILE 47 Ca -0.02 0.29 -0.01 0.00 -2.23 0.00 0.00 60.65 58.68 1vj6 s ILE 47 Cb -0.04 -3.48 -0.04 0.00 -1.58 0.00 0.00 42.46 37.32 1vj6 s ILE 47 CO -0.02 0.52 0.18 0.27 -1.23 0.00 0.00 174.94 174.65 1vj6 s ILE 48 N -0.33 5.31 -1.39 2.92 -4.36 -1.12 -5.03 121.20 117.21 1vj6 s ILE 48 Ca 0.13 -0.29 -0.16 0.00 -0.26 0.00 0.00 60.65 60.08 1vj6 s ILE 48 Cb -0.12 -3.51 0.04 0.00 1.25 0.00 0.00 42.46 40.12 1vj6 s ILE 48 CO 0.02 0.26 2.07 -0.81 0.24 0.00 0.00 174.94 176.73 1vj6 n PRO 49 N 0.74 2.90 0.00 0.37 -0.04 -1.26 -4.46 135.00 133.25 1vj6 n PRO 49 Ca -0.09 -2.78 0.00 0.00 -0.04 0.00 0.00 63.50 60.59 1vj6 n PRO 49 Cb 0.52 -3.35 0.00 0.00 -0.04 0.00 0.00 33.50 30.63 1vj6 n PRO 49 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1vj6 n LYS 50 N 6.83 0.00 0.00 0.54 5.02 -1.26 -5.10 118.16 124.19 1vj6 n LYS 50 Ca 0.51 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.80 1vj6 n LYS 50 Cb 0.41 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.42 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 3.71 0.00 0.68 0.72 0.00 -1.26 -4.99 105.19 104.04 1vj6 n GLY 51 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1vj6 n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vj6 n ALA 52 N 0.00 2.43 -0.07 4.61 0.00 -1.25 -4.74 120.51 121.49 1vj6 n ALA 52 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 1vj6 n ALA 52 Cb 0.00 0.00 0.14 0.00 0.00 0.00 0.00 19.45 19.59 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 1.00 0.00 0.00 0.00 -0.95 -1.05 119.26 118.27 1vj6 h ALA 53 Ca 0.00 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 1vj6 h ALA 53 Cb 0.00 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1vj6 h ALA 53 CO 0.00 0.59 -0.12 1.49 0.00 0.00 0.00 179.25 181.22 1vj6 h GLU 54 N 0.64 0.00 0.00 0.00 4.81 -1.78 -2.70 114.58 115.54 1vj6 h GLU 54 Ca 0.10 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1vj6 h GLU 54 Cb 0.63 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.01 1vj6 h GLU 54 CO 0.04 0.12 0.00 0.45 -0.73 0.00 0.00 179.01 178.89 1vj6 n SER 55 N -4.37 0.00 0.00 1.04 2.88 -0.40 -2.97 113.62 109.80 1vj6 n SER 55 Ca -0.03 -0.57 0.00 0.00 -1.33 0.00 0.00 58.87 56.95 1vj6 n SER 55 Cb 0.19 -0.04 0.00 0.00 -0.75 0.00 0.00 64.21 63.61 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 -1.04 0.00 0.00 -3.46 2.03 -1.02 -5.01 116.55 108.05 1vj6 n ASP 56 Ca 0.15 0.17 0.00 0.00 0.52 0.00 0.00 54.79 55.63 1vj6 n ASP 56 Cb 0.09 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.49 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 0.75 1.03 0.10 0.27 0.00 -1.16 -4.94 105.19 101.24 1vj6 n GLY 57 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1vj6 n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vj6 n ARG 58 N -0.14 0.67 -1.89 1.61 3.00 -1.26 -4.96 116.66 113.69 1vj6 n ARG 58 Ca 0.00 0.16 -0.41 0.00 -0.01 0.00 0.00 57.85 57.59 1vj6 n ARG 58 Cb 0.00 -1.65 -0.01 0.00 0.00 0.00 0.00 32.46 30.80 1vj6 n ARG 58 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.63 178.59 1vj6 s ILE 59 N -2.54 2.25 0.43 0.55 -4.36 -1.26 -5.05 121.20 111.21 1vj6 s ILE 59 Ca -0.11 0.25 0.03 0.00 -0.26 0.00 0.00 60.65 60.56 1vj6 s ILE 59 Cb 0.07 -3.16 -0.02 0.00 1.25 0.00 0.00 42.46 40.60 1vj6 s ILE 59 CO 0.80 0.06 0.10 -1.38 0.24 0.00 0.00 174.94 174.75 1vj6 s HIS 60 N -1.02 1.83 -0.09 1.37 -3.43 -1.26 -5.03 115.29 107.65 1vj6 s HIS 60 Ca 0.53 -1.18 -0.05 0.00 -0.80 0.00 0.00 55.06 53.56 1vj6 s HIS 60 Cb -0.45 -1.27 -0.19 0.00 -1.43 0.00 0.00 32.58 29.24 1vj6 s HIS 60 CO 0.59 -0.15 2.76 0.36 -2.00 0.00 0.00 174.74 176.30 1vj6 n LYS 61 N -0.98 1.56 0.00 -0.38 2.85 -1.26 -3.16 118.16 116.79 1vj6 n LYS 61 Ca -0.09 -0.81 0.00 0.00 -1.05 0.00 0.00 58.31 56.36 1vj6 n LYS 61 Cb 0.65 -1.92 0.00 0.00 -0.65 0.00 0.00 35.03 33.11 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 2.72 0.64 3.83 2.58 0.00 -1.19 -4.61 105.19 109.15 1vj6 n GLY 62 Ca 0.34 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.05 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 5.24 -0.14 1.61 1.01 -1.19 -4.44 116.67 118.76 1vj6 s ASP 63 Ca 0.00 1.46 -0.14 0.00 0.71 0.00 0.00 52.55 54.59 1vj6 s ASP 63 Cb 0.00 -2.32 -0.05 0.00 1.01 0.00 0.00 42.92 41.57 1vj6 s ASP 63 CO 0.00 -1.52 0.30 -0.60 0.21 0.00 0.00 175.17 173.56 1vj6 s ARG 64 N -5.12 4.16 -0.34 8.23 3.52 -0.51 -1.96 118.95 126.93 1vj6 s ARG 64 Ca 0.58 0.12 -0.16 0.00 -0.13 0.00 0.00 55.73 56.15 1vj6 s ARG 64 Cb -0.13 -3.39 -0.01 0.00 -1.56 0.00 0.00 34.95 29.86 1vj6 s ARG 64 CO 0.54 0.32 0.39 0.08 -0.81 0.00 0.00 175.30 175.83 1vj6 s VAL 65 N 0.20 5.14 -0.15 7.11 1.01 0.13 -0.00 120.40 133.84 1vj6 s VAL 65 Ca 0.17 0.11 0.04 0.00 0.00 0.00 0.00 61.98 62.31 1vj6 s VAL 65 Cb -0.13 -3.84 -0.23 0.00 0.00 0.00 0.00 36.38 32.17 1vj6 s VAL 65 CO 0.05 -0.11 0.24 0.00 0.00 0.00 0.00 175.10 175.28 1vj6 n LEU 66 N 5.45 1.83 -3.72 3.92 -0.00 0.15 -2.01 117.00 122.61 1vj6 n LEU 66 Ca -0.08 0.14 -0.11 0.00 -0.00 0.00 0.00 56.01 55.95 1vj6 n LEU 66 Cb 0.49 -0.47 -0.06 0.00 -0.00 0.00 0.00 43.42 43.38 1vj6 n LEU 66 CO 0.41 0.70 0.06 0.00 -0.00 0.00 0.00 177.39 178.57 1vj6 s ALA 67 N -2.55 -0.73 -0.08 1.47 0.00 -1.04 -0.79 121.76 118.04 1vj6 s ALA 67 Ca -0.19 -0.04 -0.01 0.00 0.00 0.00 0.00 51.96 51.72 1vj6 s ALA 67 Cb 0.07 0.44 0.03 0.00 0.00 0.00 0.00 23.12 23.66 1vj6 s ALA 67 CO 0.75 -0.49 -0.02 0.08 0.00 0.00 0.00 175.76 176.09 1vj6 s VAL 68 N -3.02 0.52 -1.76 0.00 1.01 0.18 -0.25 120.40 117.08 1vj6 s VAL 68 Ca -0.02 0.03 0.00 0.00 0.00 0.00 0.00 61.98 61.99 1vj6 s VAL 68 Cb 0.01 -0.65 0.00 0.00 0.00 0.00 0.00 36.38 35.74 1vj6 s VAL 68 CO -0.06 0.28 0.00 0.59 0.00 0.00 0.00 175.10 175.91 1vj6 n ASN 69 N 5.10 -5.56 0.00 3.32 3.02 0.82 -0.98 115.26 120.99 1vj6 n ASN 69 Ca -0.08 0.10 0.00 0.00 -0.03 0.00 0.00 54.58 54.57 1vj6 n ASN 69 Cb 0.50 -4.69 0.00 0.00 -0.61 0.00 0.00 39.78 34.98 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 -0.87 0.90 3.41 7.41 0.00 -1.26 -5.01 105.19 109.77 1vj6 n GLY 70 Ca -0.23 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.35 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 -3.59 5.06 0.27 1.61 1.01 -0.15 -4.99 120.40 119.62 1vj6 s VAL 71 Ca 0.00 -0.83 -0.30 0.00 0.00 0.00 0.00 61.98 60.85 1vj6 s VAL 71 Cb 0.00 -4.22 -0.13 0.00 0.00 0.00 0.00 36.38 32.03 1vj6 s VAL 71 CO 0.00 -0.70 1.27 -1.20 0.00 0.00 0.00 175.10 174.47 1vj6 n SER 72 N 5.66 2.32 -1.32 3.32 7.64 -1.26 -0.65 113.62 129.34 1vj6 n SER 72 Ca -0.10 1.17 -0.04 0.00 1.01 0.00 0.00 58.87 60.91 1vj6 n SER 72 Cb 0.44 -1.39 0.12 0.00 -1.01 0.00 0.00 64.21 62.37 1vj6 n SER 72 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1vj6 n LEU 73 N 1.58 3.85 -4.61 -3.43 4.77 0.03 -4.83 117.00 114.36 1vj6 n LEU 73 Ca 0.10 -1.98 -0.43 0.00 -0.03 0.00 0.00 56.01 53.66 1vj6 n LEU 73 Cb 0.32 -0.61 -0.02 0.00 -2.33 0.00 0.00 43.42 40.78 1vj6 n LEU 73 CO 0.62 0.58 1.19 -1.61 -1.33 0.00 0.00 177.39 176.84 1vj6 s GLU 74 N -1.53 3.69 0.00 3.23 2.02 -1.26 -1.60 118.70 123.26 1vj6 s GLU 74 Ca 0.23 0.99 0.00 0.00 0.02 0.00 0.00 54.97 56.22 1vj6 s GLU 74 Cb 0.19 -3.97 0.00 0.00 0.10 0.00 0.00 34.13 30.45 1vj6 s GLU 74 CO 0.05 -1.42 0.00 0.41 0.02 0.00 0.00 175.26 174.33 1vj6 n GLY 75 N 4.83 0.76 3.82 -1.39 0.00 -1.26 -5.06 105.19 106.89 1vj6 n GLY 75 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.69 3.67 0.09 4.61 0.00 -0.63 -4.87 121.76 121.95 1vj6 s ALA 76 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 51.96 51.74 1vj6 s ALA 76 Cb 0.00 -2.41 0.00 0.00 0.00 0.00 0.00 23.12 20.71 1vj6 s ALA 76 CO 0.00 0.42 0.02 -2.37 0.00 0.00 0.00 175.76 173.83 1vj6 n THR 77 N 2.06 0.00 -0.13 0.00 5.66 -1.26 -0.39 114.28 120.22 1vj6 n THR 77 Ca -0.13 -0.41 -0.06 0.00 -3.05 0.00 0.00 64.05 60.40 1vj6 n THR 77 Cb 0.52 -0.04 0.01 0.00 -1.55 0.00 0.00 70.33 69.27 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 0.92 -0.64 -0.08 1.09 2.76 -1.91 0.22 115.15 117.51 1vj6 h HIS 78 Ca -0.07 0.05 -0.04 0.00 -2.20 0.00 0.00 60.37 58.11 1vj6 h HIS 78 Cb 0.23 0.35 -0.00 0.00 1.55 0.00 0.00 27.41 29.53 1vj6 h HIS 78 CO 0.00 -0.32 -0.10 -0.22 -1.30 0.00 0.00 177.93 175.98 1vj6 h LYS 79 N -0.16 0.21 -0.50 5.26 3.11 -1.96 -2.18 116.57 120.34 1vj6 h LYS 79 Ca 0.20 -0.12 0.10 0.00 -2.81 0.00 0.00 60.65 58.02 1vj6 h LYS 79 Cb 0.48 0.01 -0.09 0.00 -1.00 0.00 0.00 32.23 31.63 1vj6 h LYS 79 CO -0.53 0.67 -0.07 1.96 -2.81 0.00 0.00 179.45 178.67 1vj6 h GLN 80 N -0.24 0.05 -0.69 1.90 1.08 -1.94 -2.45 115.11 112.83 1vj6 h GLN 80 Ca 0.01 -0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.19 1vj6 h GLN 80 Cb 0.64 -0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 28.03 1vj6 h GLN 80 CO 0.02 0.03 0.35 0.00 -0.95 0.00 0.00 178.83 178.28 1vj6 h ALA 81 N 1.48 1.32 -0.15 3.87 0.00 -0.45 -0.82 119.26 124.51 1vj6 h ALA 81 Ca 0.25 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1vj6 h ALA 81 Cb 0.38 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1vj6 h ALA 81 CO -0.48 0.54 0.07 0.28 0.00 0.00 0.00 179.25 179.66 1vj6 h VAL 82 N 0.96 1.13 -0.93 0.00 2.07 -1.14 -2.01 116.25 116.33 1vj6 h VAL 82 Ca 0.24 -0.38 0.05 0.00 0.82 0.00 0.00 66.70 67.43 1vj6 h VAL 82 Cb 0.07 1.10 -0.06 0.00 -1.52 0.00 0.00 31.29 30.88 1vj6 h VAL 82 CO -0.03 0.12 0.61 -0.33 0.02 0.00 0.00 177.57 177.95 1vj6 h GLU 83 N 0.12 1.09 0.00 1.57 5.08 -1.12 0.15 114.58 121.46 1vj6 h GLU 83 Ca 0.05 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 1vj6 h GLU 83 Cb 0.13 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.13 1vj6 h GLU 83 CO -0.01 0.72 -0.16 1.15 -1.00 0.00 0.00 179.01 179.72 1vj6 h THR 84 N 1.12 0.79 0.03 1.13 2.02 -0.81 0.32 112.91 117.51 1vj6 h THR 84 Ca 0.38 -0.61 -0.30 0.00 0.77 0.00 0.00 66.41 66.66 1vj6 h THR 84 Cb 0.09 1.36 -0.04 0.00 -1.74 0.00 0.00 68.15 67.83 1vj6 h THR 84 CO -0.13 0.15 -1.64 0.18 0.37 0.00 0.00 175.52 174.45 1vj6 n LEU 85 N -3.89 2.12 0.10 2.58 4.77 -0.79 -4.70 117.00 117.19 1vj6 n LEU 85 Ca -0.02 0.34 -0.16 0.00 -0.03 0.00 0.00 56.01 56.14 1vj6 n LEU 85 Cb 0.25 -0.99 -0.13 0.00 -2.33 0.00 0.00 43.42 40.22 1vj6 n LEU 85 CO 0.33 0.49 -0.03 -0.09 -1.33 0.00 0.00 177.39 176.75 1vj6 h ARG 86 N -0.68 0.29 -1.43 3.23 1.12 -0.58 -3.32 114.38 113.00 1vj6 h ARG 86 Ca -0.42 -0.47 -0.40 0.00 -1.11 0.00 0.00 59.98 57.58 1vj6 h ARG 86 Cb 1.55 0.17 -0.17 0.00 -0.01 0.00 0.00 29.97 31.51 1vj6 h ARG 86 CO -0.15 1.21 0.52 -1.71 -3.11 0.00 0.00 179.97 176.73 1vj6 n ASN 87 N -3.56 6.74 -4.94 -3.80 5.15 0.09 -4.88 115.26 110.06 1vj6 n ASN 87 Ca -0.08 -3.22 -0.22 0.00 -0.60 0.00 0.00 54.58 50.45 1vj6 n ASN 87 Cb 1.01 -1.05 -0.03 0.00 -0.53 0.00 0.00 39.78 39.18 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 -2.83 5.10 -1.44 -0.44 -4.23 -1.25 -4.98 115.64 105.56 1vj6 s THR 88 Ca 0.39 -1.02 -0.10 0.00 -1.18 0.00 0.00 61.69 59.78 1vj6 s THR 88 Cb 0.30 -3.74 0.05 0.00 1.34 0.00 0.00 72.50 70.44 1vj6 s THR 88 CO -0.01 -0.29 2.40 0.61 -0.54 0.00 0.00 174.62 176.79 1vj6 n GLY 89 N -1.20 4.61 4.93 3.99 0.00 -1.26 -4.73 105.19 111.52 1vj6 n GLY 89 Ca -0.08 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.17 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 4.00 0.00 -2.74 1.61 7.27 -1.26 -4.88 117.38 121.37 1vj6 n GLN 90 Ca 0.59 0.00 -0.42 0.00 0.07 0.00 0.00 57.00 57.25 1vj6 n GLN 90 Cb 0.31 -0.06 -0.04 0.00 2.41 0.00 0.00 30.24 32.86 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 4.75 -0.28 1.69 1.01 -1.26 -2.57 120.40 123.74 1vj6 s VAL 91 Ca 0.00 2.02 0.01 0.00 0.00 0.00 0.00 61.98 64.01 1vj6 s VAL 91 Cb 0.00 -4.30 0.06 0.00 0.00 0.00 0.00 36.38 32.14 1vj6 s VAL 91 CO 0.00 0.22 -0.05 -0.69 0.00 0.00 0.00 175.10 174.58 1vj6 s VAL 92 N 0.63 2.53 -0.63 2.92 1.01 0.57 -4.90 120.40 122.53 1vj6 s VAL 92 Ca 0.49 -1.59 -0.22 0.00 0.00 0.00 0.00 61.98 60.66 1vj6 s VAL 92 Cb -0.22 -2.50 0.07 0.00 0.00 0.00 0.00 36.38 33.73 1vj6 s VAL 92 CO 0.28 -0.11 0.93 -2.28 0.00 0.00 0.00 175.10 173.92 1vj6 s HIS 93 N 1.15 2.72 -0.22 5.22 2.46 -1.26 -1.85 115.29 123.51 1vj6 s HIS 93 Ca -0.06 -0.49 -0.20 0.00 0.47 0.00 0.00 55.06 54.79 1vj6 s HIS 93 Cb -0.20 -4.21 -0.03 0.00 -0.13 0.00 0.00 32.58 28.01 1vj6 s HIS 93 CO -0.04 -1.56 0.58 -0.51 -2.47 0.00 0.00 174.74 170.75 1vj6 s LEU 94 N 3.92 4.12 -0.54 8.88 1.43 0.17 -0.12 118.68 136.53 1vj6 s LEU 94 Ca 0.23 0.73 -0.19 0.00 -1.03 0.00 0.00 54.13 53.87 1vj6 s LEU 94 Cb -0.17 -2.80 0.08 0.00 0.03 0.00 0.00 46.19 43.33 1vj6 s LEU 94 CO 0.11 -0.27 0.64 -0.22 0.23 0.00 0.00 176.35 176.85 1vj6 s LEU 95 N 1.99 5.24 -0.02 1.79 0.20 0.66 -0.79 118.68 127.74 1vj6 s LEU 95 Ca 0.26 -1.20 0.03 0.00 0.69 0.00 0.00 54.13 53.92 1vj6 s LEU 95 Cb -0.16 -2.36 -0.03 0.00 -0.43 0.00 0.00 46.19 43.22 1vj6 s LEU 95 CO 0.10 -0.97 -0.10 -0.76 -0.29 0.00 0.00 176.35 174.32 1vj6 s LEU 96 N 2.55 2.97 0.01 -0.68 1.43 -0.16 -0.67 118.68 124.12 1vj6 s LEU 96 Ca 0.12 -0.18 0.08 0.00 -1.03 0.00 0.00 54.13 53.12 1vj6 s LEU 96 Cb -0.22 -1.68 -0.02 0.00 0.03 0.00 0.00 46.19 44.30 1vj6 s LEU 96 CO 0.09 0.31 -0.24 -0.70 0.23 0.00 0.00 176.35 176.04 1vj6 s GLU 97 N -1.14 1.81 0.07 1.70 2.12 0.99 -0.99 118.70 123.26 1vj6 s GLU 97 Ca 0.14 -0.94 -0.31 0.00 0.36 0.00 0.00 54.97 54.22 1vj6 s GLU 97 Cb -0.11 -1.84 -0.08 0.00 0.26 0.00 0.00 34.13 32.36 1vj6 s GLU 97 CO 0.04 0.49 1.49 0.15 -0.54 0.00 0.00 175.26 176.89 1vj6 s LYS 98 N -0.86 4.26 -1.21 4.30 -0.14 -1.16 -1.42 119.74 123.51 1vj6 s LYS 98 Ca 0.10 2.15 -0.07 0.00 -1.36 0.00 0.00 55.97 56.78 1vj6 s LYS 98 Cb -0.09 -3.44 0.22 0.00 -1.68 0.00 0.00 37.83 32.84 1vj6 s LYS 98 CO 0.00 -0.58 1.75 0.41 -0.76 0.00 0.00 175.35 176.17 1vj6 n GLY 99 N 3.71 4.95 3.35 -3.33 0.00 -1.26 -4.80 105.19 107.82 1vj6 n GLY 99 Ca 0.13 -2.31 -0.18 0.00 0.00 0.00 0.00 46.02 43.66 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 -0.87 1.40 0.45 1.61 -1.52 -1.26 -4.76 119.66 114.70 1vj6 s GLN 100 Ca 0.37 -1.72 -0.04 0.00 -1.95 0.00 0.00 55.36 52.02 1vj6 s GLN 100 Cb 0.08 -0.68 -0.03 0.00 -0.22 0.00 0.00 33.01 32.16 1vj6 s GLN 100 CO 0.04 -0.10 0.73 0.14 -0.25 0.00 0.00 175.29 175.84 1vj6 s VAL 101 N -3.38 4.86 -2.00 1.09 -7.23 -1.26 -4.80 120.40 107.68 1vj6 s VAL 101 Ca 0.30 -0.00 0.14 0.00 -1.81 0.00 0.00 61.98 60.61 1vj6 s VAL 101 Cb 0.06 -3.83 0.41 0.00 0.56 0.00 0.00 36.38 33.58 1vj6 s VAL 101 CO 0.10 -0.74 1.28 -2.65 -0.31 0.00 0.00 175.10 172.78