#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 0.88 0.53 0.03 -0.14 -1.26 -5.14 119.74 114.64 1vj6 s LYS 9 Ca 0.00 -1.38 -0.20 0.00 -1.36 0.00 0.00 55.97 53.03 1vj6 s LYS 9 Cb 0.00 -0.10 -0.06 0.00 -1.68 0.00 0.00 37.83 35.99 1vj6 s LYS 9 CO 0.00 -0.09 1.13 -1.25 -0.76 0.00 0.00 175.35 174.38 1vj6 s PRO 10 N -3.90 3.45 0.00 -1.68 0.04 -1.26 -4.08 135.00 127.57 1vj6 s PRO 10 Ca 0.16 1.62 0.00 0.00 0.04 0.00 0.00 61.00 62.82 1vj6 s PRO 10 Cb 0.06 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.53 1vj6 s PRO 10 CO -0.02 -0.77 0.00 0.41 0.04 0.00 0.00 177.00 176.65 1vj6 n GLY 11 N 0.18 0.82 3.51 0.56 0.00 -1.26 -5.03 105.19 103.97 1vj6 n GLY 11 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.07 6.31 0.08 1.61 1.01 -1.26 -4.99 116.67 117.35 1vj6 s ASP 12 Ca 0.00 -0.47 -0.06 0.00 0.71 0.00 0.00 52.55 52.72 1vj6 s ASP 12 Cb 0.00 -2.43 -0.05 0.00 1.01 0.00 0.00 42.92 41.45 1vj6 s ASP 12 CO 0.00 -1.26 0.34 0.42 0.21 0.00 0.00 175.17 174.88 1vj6 s THR 13 N 3.95 5.20 -0.11 -1.27 -4.23 -1.26 -1.50 115.64 116.42 1vj6 s THR 13 Ca 0.29 0.15 -0.02 0.00 -1.18 0.00 0.00 61.69 60.93 1vj6 s THR 13 Cb -0.13 -3.61 0.04 0.00 1.34 0.00 0.00 72.50 70.13 1vj6 s THR 13 CO 0.17 0.21 0.02 0.72 -0.54 0.00 0.00 174.62 175.20 1vj6 s PHE 14 N -1.47 0.75 -1.15 3.99 -0.71 0.14 -4.98 117.98 114.54 1vj6 s PHE 14 Ca 0.34 -0.38 -0.14 0.00 -1.04 0.00 0.00 56.93 55.72 1vj6 s PHE 14 Cb -0.13 -0.86 0.18 0.00 -1.21 0.00 0.00 43.02 41.00 1vj6 s PHE 14 CO 0.21 -0.42 1.33 -2.00 -1.34 0.00 0.00 175.22 172.99 1vj6 s GLU 15 N 1.95 4.04 -0.29 1.99 2.12 -1.25 -1.45 118.70 125.80 1vj6 s GLU 15 Ca 0.03 -2.58 -0.29 0.00 0.36 0.00 0.00 54.97 52.49 1vj6 s GLU 15 Cb -0.14 -4.95 -0.00 0.00 0.26 0.00 0.00 34.13 29.30 1vj6 s GLU 15 CO -0.06 -1.67 1.37 0.08 -0.54 0.00 0.00 175.26 174.43 1vj6 s VAL 16 N 1.23 4.04 -0.35 3.70 1.01 -0.32 -4.76 120.40 124.96 1vj6 s VAL 16 Ca 0.39 1.17 -0.11 0.00 0.00 0.00 0.00 61.98 63.43 1vj6 s VAL 16 Cb -0.04 -4.08 0.01 0.00 0.00 0.00 0.00 36.38 32.27 1vj6 s VAL 16 CO -0.03 -0.46 0.19 -1.83 0.00 0.00 0.00 175.10 172.98 1vj6 s GLU 17 N 4.31 3.13 0.25 2.72 -1.05 -1.26 0.42 118.70 127.22 1vj6 s GLU 17 Ca 0.59 -0.87 0.09 0.00 -0.15 0.00 0.00 54.97 54.63 1vj6 s GLU 17 Cb -0.18 -3.69 -0.05 0.00 -0.44 0.00 0.00 34.13 29.77 1vj6 s GLU 17 CO 0.25 -0.56 -0.13 -0.51 0.95 0.00 0.00 175.26 175.26 1vj6 s LEU 18 N 1.61 2.56 -0.23 1.83 1.43 -0.26 -4.96 118.68 120.66 1vj6 s LEU 18 Ca 0.04 -1.08 -0.02 0.00 -1.03 0.00 0.00 54.13 52.04 1vj6 s LEU 18 Cb -0.18 -0.80 0.02 0.00 0.03 0.00 0.00 46.19 45.26 1vj6 s LEU 18 CO 0.07 -0.16 -0.07 0.00 0.23 0.00 0.00 176.35 176.42 1vj6 s ALA 19 N -2.84 2.69 0.11 4.21 0.00 -1.26 -0.44 121.76 124.22 1vj6 s ALA 19 Ca 0.27 -1.36 -0.36 0.00 0.00 0.00 0.00 51.96 50.51 1vj6 s ALA 19 Cb -0.01 -1.63 -0.16 0.00 0.00 0.00 0.00 23.12 21.32 1vj6 s ALA 19 CO 0.11 -0.66 1.35 0.36 0.00 0.00 0.00 175.76 176.92 1vj6 n LYS 20 N 4.70 1.29 -3.33 0.00 2.85 -1.20 -4.81 118.16 117.66 1vj6 n LYS 20 Ca -0.17 0.47 -0.43 0.00 -1.05 0.00 0.00 58.31 57.12 1vj6 n LYS 20 Cb 0.48 -2.10 -0.09 0.00 -0.65 0.00 0.00 35.03 32.67 1vj6 n LYS 20 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 177.40 177.27 1vj6 s THR 21 N 0.43 5.10 -1.60 0.58 -1.32 0.56 -4.06 115.64 115.31 1vj6 s THR 21 Ca 0.82 -0.38 0.00 0.00 -1.21 0.00 0.00 61.69 60.92 1vj6 s THR 21 Cb -0.90 -4.04 0.00 0.00 -1.51 0.00 0.00 72.50 66.05 1vj6 s THR 21 CO 0.46 -0.42 0.00 0.47 -2.21 0.00 0.00 174.62 172.92 1vj6 n ASP 22 N 5.58 -4.94 -1.77 8.08 8.00 -1.26 -3.22 116.55 127.01 1vj6 n ASP 22 Ca -0.08 0.18 -0.01 0.00 0.71 0.00 0.00 54.79 55.60 1vj6 n ASP 22 Cb 0.47 -4.23 0.01 0.00 -0.02 0.00 0.00 41.12 37.35 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 -0.74 0.09 0.00 0.44 0.00 -1.26 -5.07 105.19 98.65 1vj6 n GLY 23 Ca -0.20 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.47 0.00 -0.01 1.61 7.64 -1.20 -5.03 113.62 115.16 1vj6 n SER 24 Ca -0.01 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.71 1vj6 n SER 24 Cb 0.51 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.60 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 -1.92 0.16 115.31 113.91 1vj6 h LEU 25 Ca 0.00 -0.76 0.00 0.00 0.09 0.00 0.00 57.88 57.21 1vj6 h LEU 25 Cb 0.00 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.62 1vj6 h LEU 25 CO 0.00 1.12 0.00 0.61 0.09 0.00 0.00 178.44 180.26 1vj6 n GLY 26 N 1.04 1.44 3.40 0.83 0.00 -1.26 -0.13 105.19 110.51 1vj6 n GLY 26 Ca -0.10 0.00 -0.33 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 -1.60 3.23 -0.41 -0.61 -4.36 -1.26 -1.92 121.20 114.27 1vj6 s ILE 27 Ca 0.00 -0.60 -0.27 0.00 -0.26 0.00 0.00 60.65 59.53 1vj6 s ILE 27 Cb 0.00 -2.37 0.02 0.00 1.25 0.00 0.00 42.46 41.36 1vj6 s ILE 27 CO 0.00 0.52 0.99 -0.44 0.24 0.00 0.00 174.94 176.24 1vj6 s SER 28 N 0.35 6.64 0.21 4.36 0.01 -0.27 -5.00 113.70 120.01 1vj6 s SER 28 Ca -0.09 0.48 -0.30 0.00 1.31 0.00 0.00 55.95 57.34 1vj6 s SER 28 Cb -0.16 -2.49 -0.08 0.00 0.21 0.00 0.00 66.02 63.51 1vj6 s SER 28 CO 0.05 -1.00 0.98 0.68 0.41 0.00 0.00 173.24 174.36 1vj6 s VAL 29 N 3.78 4.09 0.26 3.43 -7.23 -1.26 -0.56 120.40 122.91 1vj6 s VAL 29 Ca 0.41 1.97 0.03 0.00 -1.81 0.00 0.00 61.98 62.58 1vj6 s VAL 29 Cb -0.10 -4.26 -0.05 0.00 0.56 0.00 0.00 36.38 32.52 1vj6 s VAL 29 CO 0.23 0.42 0.04 0.28 -0.31 0.00 0.00 175.10 175.76 1vj6 s THR 30 N -0.81 0.95 0.00 5.32 -1.32 0.15 -4.78 115.64 115.15 1vj6 s THR 30 Ca 0.44 -2.02 0.00 0.00 -1.21 0.00 0.00 61.69 58.90 1vj6 s THR 30 Cb -0.26 -2.53 0.00 0.00 -1.51 0.00 0.00 72.50 68.19 1vj6 s THR 30 CO 0.33 -0.16 0.00 0.61 -2.21 0.00 0.00 174.62 173.19 1vj6 n GLY 31 N -0.50 0.47 0.00 6.08 0.00 -1.26 -1.34 105.19 108.64 1vj6 n GLY 31 Ca -0.03 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.89 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 0.79 0.37 -0.02 0.00 -1.04 -4.26 105.19 101.04 1vj6 n GLY 32 Ca 0.00 -1.70 0.29 0.00 0.00 0.00 0.00 46.02 44.61 1vj6 n GLY 32 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1vj6 h VAL 33 N 0.00 0.20 -0.80 1.61 2.07 -1.63 0.54 116.25 118.23 1vj6 h VAL 33 Ca 0.00 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.44 1vj6 h VAL 33 Cb 0.00 -0.01 -0.04 0.00 -1.52 0.00 0.00 31.29 29.72 1vj6 h VAL 33 CO 0.00 0.03 0.44 -1.13 0.02 0.00 0.00 177.57 176.93 1vj6 h ASN 34 N 0.19 1.00 0.84 0.57 -0.73 -1.84 -3.25 115.58 112.36 1vj6 h ASN 34 Ca 0.78 -0.10 0.00 0.00 1.87 0.00 0.00 56.30 58.85 1vj6 h ASN 34 Cb 2.04 -0.25 0.00 0.00 0.27 0.00 0.00 38.32 40.38 1vj6 h ASN 34 CO -0.57 0.81 -0.52 0.41 -0.37 0.00 0.00 177.43 177.19 1vj6 n THR 35 N -4.41 0.28 -1.15 -3.57 -1.04 0.18 -4.98 114.28 99.58 1vj6 n THR 35 Ca 0.08 -0.20 0.00 0.00 -2.04 0.00 0.00 64.05 61.88 1vj6 n THR 35 Cb 0.09 -0.11 0.00 0.00 -1.82 0.00 0.00 70.33 68.50 1vj6 n THR 35 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1vj6 n SER 36 N -1.97 -1.54 -2.93 8.00 7.64 -1.19 -4.99 113.62 116.64 1vj6 n SER 36 Ca 0.04 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.71 1vj6 n SER 36 Cb 0.41 -0.77 -0.02 0.00 -1.01 0.00 0.00 64.21 62.82 1vj6 n SER 36 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1vj6 n VAL 37 N -0.37 1.53 0.00 0.44 0.24 -1.26 -4.99 118.33 113.92 1vj6 n VAL 37 Ca 0.00 -4.80 0.00 0.00 -2.04 0.00 0.00 64.34 57.50 1vj6 n VAL 37 Cb 0.00 -0.69 0.00 0.00 -1.47 0.00 0.00 33.84 31.68 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 -0.06 0.00 0.00 7.34 3.00 -1.26 -3.59 116.66 122.08 1vj6 n ARG 38 Ca 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.12 1vj6 n ARG 38 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.04 1vj6 n ARG 38 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.63 175.24 1vj6 n HIS 39 N 0.00 0.00 0.00 -0.14 1.44 -1.26 -5.16 115.22 110.10 1vj6 n HIS 39 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1vj6 n HIS 39 Cb 0.00 0.02 0.00 0.00 0.12 0.00 0.00 29.99 30.13 1vj6 n HIS 39 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1vj6 n GLY 40 N 2.29 3.75 0.35 -1.39 0.00 -1.24 -4.37 105.19 104.59 1vj6 n GLY 40 Ca 0.00 -0.26 0.04 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.20 3.38 -0.02 0.00 -1.26 -4.70 105.19 100.39 1vj6 n GLY 41 Ca 0.00 -1.40 -0.20 0.00 0.00 0.00 0.00 46.02 44.42 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 -2.43 1.91 0.03 -0.61 1.10 -0.93 -2.49 121.20 117.78 1vj6 s ILE 42 Ca 0.00 -2.25 -0.04 0.00 -0.51 0.00 0.00 60.65 57.85 1vj6 s ILE 42 Cb 0.00 -2.13 -0.02 0.00 0.15 0.00 0.00 42.46 40.47 1vj6 s ILE 42 CO 0.00 -0.53 0.06 -0.31 -2.11 0.00 0.00 174.94 172.04 1vj6 s TYR 43 N -2.86 0.24 0.13 3.50 1.51 -0.45 -0.43 117.35 118.98 1vj6 s TYR 43 Ca 0.25 -0.54 -0.25 0.00 -1.01 0.00 0.00 57.07 55.51 1vj6 s TYR 43 Cb -0.01 -0.17 -0.07 0.00 -0.11 0.00 0.00 41.96 41.59 1vj6 s TYR 43 CO 0.09 -0.32 0.77 0.08 -1.11 0.00 0.00 175.55 175.06 1vj6 s VAL 44 N -2.39 4.49 -0.17 0.71 1.01 -1.15 -0.67 120.40 122.23 1vj6 s VAL 44 Ca -0.07 1.67 -0.14 0.00 0.00 0.00 0.00 61.98 63.45 1vj6 s VAL 44 Cb -0.03 -4.13 -0.06 0.00 0.00 0.00 0.00 36.38 32.16 1vj6 s VAL 44 CO -0.04 0.47 -0.22 1.17 0.00 0.00 0.00 175.10 176.48 1vj6 n LYS 45 N 1.98 0.50 -4.77 2.72 0.00 0.28 -3.27 118.16 115.60 1vj6 n LYS 45 Ca -0.05 0.40 -0.26 0.00 0.00 0.00 0.00 58.31 58.40 1vj6 n LYS 45 Cb 0.49 -1.59 -0.16 0.00 0.00 0.00 0.00 35.03 33.77 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 -2.75 1.46 -0.21 3.14 0.00 -1.20 -4.66 121.76 117.54 1vj6 s ALA 46 Ca -0.23 -0.61 -0.14 0.00 0.00 0.00 0.00 51.96 50.98 1vj6 s ALA 46 Cb 0.04 -0.54 -0.04 0.00 0.00 0.00 0.00 23.12 22.58 1vj6 s ALA 46 CO 0.35 0.22 0.32 0.42 0.00 0.00 0.00 175.76 177.07 1vj6 s ILE 47 N 0.27 5.25 0.42 0.00 -1.09 -1.26 -1.11 121.20 123.68 1vj6 s ILE 47 Ca -0.09 0.54 -0.11 0.00 -2.23 0.00 0.00 60.65 58.76 1vj6 s ILE 47 Cb -0.13 -3.65 -0.07 0.00 -1.58 0.00 0.00 42.46 37.03 1vj6 s ILE 47 CO 0.03 0.29 0.80 0.27 -1.23 0.00 0.00 174.94 175.09 1vj6 s ILE 48 N 1.19 4.75 -1.36 2.92 -4.36 -0.81 -4.97 121.20 118.57 1vj6 s ILE 48 Ca 0.15 0.71 -0.15 0.00 -0.26 0.00 0.00 60.65 61.10 1vj6 s ILE 48 Cb -0.14 -3.73 0.02 0.00 1.25 0.00 0.00 42.46 39.86 1vj6 s ILE 48 CO 0.07 -0.53 2.16 -0.81 0.24 0.00 0.00 174.94 176.06 1vj6 n PRO 49 N -1.31 2.69 0.00 0.37 -0.04 -1.26 -4.52 135.00 130.93 1vj6 n PRO 49 Ca 0.03 -2.54 0.00 0.00 -0.04 0.00 0.00 63.50 60.95 1vj6 n PRO 49 Cb 0.54 -3.26 0.00 0.00 -0.04 0.00 0.00 33.50 30.74 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 6.37 0.00 0.00 0.54 4.76 -1.26 -5.13 118.16 123.44 1vj6 n LYS 50 Ca 0.51 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.95 1vj6 n LYS 50 Cb 0.40 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.59 1vj6 n LYS 50 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1vj6 n GLY 51 N 4.29 0.00 1.17 0.72 0.00 -1.26 -4.93 105.19 105.19 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 3.00 -0.08 4.61 0.00 -1.14 -4.55 120.51 122.34 1vj6 n ALA 52 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1vj6 n ALA 52 Cb 0.00 0.14 -0.05 0.00 0.00 0.00 0.00 19.45 19.54 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 0.32 0.00 0.00 0.00 -0.87 -2.32 119.26 116.39 1vj6 h ALA 53 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1vj6 h ALA 53 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1vj6 h ALA 53 CO 0.00 0.11 0.00 1.05 0.00 0.00 0.00 179.25 180.41 1vj6 h GLU 54 N 0.19 0.00 0.00 0.00 -0.00 -1.85 -2.33 114.58 110.59 1vj6 h GLU 54 Ca 0.06 0.00 -0.02 0.00 -0.00 0.00 0.00 59.36 59.40 1vj6 h GLU 54 Cb 0.51 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.25 1vj6 h GLU 54 CO 0.02 0.00 -0.10 1.03 -0.00 0.00 0.00 179.01 179.96 1vj6 h SER 55 N 0.00 0.00 0.00 3.06 0.87 -1.66 -3.36 113.55 112.46 1vj6 h SER 55 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1vj6 h SER 55 Cb 0.31 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.27 1vj6 h SER 55 CO 0.00 0.10 0.00 -0.67 -0.53 0.00 0.00 176.83 175.73 1vj6 n ASP 56 N -3.29 0.00 0.00 6.23 2.03 -0.88 -5.01 116.55 115.64 1vj6 n ASP 56 Ca -0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1vj6 n ASP 56 Cb 0.32 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.72 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 1.12 0.88 0.09 0.27 0.00 -1.26 -4.91 105.19 101.38 1vj6 n GLY 57 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 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 -6.51 1.61 -0.00 -1.94 -3.45 114.38 104.09 1vj6 h ARG 58 Ca 0.00 0.00 -0.53 0.00 -0.50 0.00 0.00 59.98 58.95 1vj6 h ARG 58 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 29.97 29.99 1vj6 h ARG 58 CO 0.00 0.61 0.80 0.42 0.00 0.00 0.00 179.97 181.80 1vj6 s ILE 59 N -2.79 3.24 0.00 2.04 1.01 -1.26 -5.02 121.20 118.42 1vj6 s ILE 59 Ca -0.00 0.84 0.00 0.00 0.00 0.00 0.00 60.65 61.48 1vj6 s ILE 59 Cb 0.09 -3.54 0.00 0.00 0.01 0.00 0.00 42.46 39.02 1vj6 s ILE 59 CO 0.80 0.05 0.00 1.57 0.00 0.00 0.00 174.94 177.36 1vj6 n HIS 60 N 4.39 0.00 -2.97 3.97 -0.00 -1.26 -4.91 115.22 114.44 1vj6 n HIS 60 Ca 0.13 0.00 -0.44 0.00 0.46 0.00 0.00 57.72 57.87 1vj6 n HIS 60 Cb 0.42 0.00 -0.00 0.00 -0.12 0.00 0.00 29.99 30.28 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 1.42 4.02 0.00 1.57 1.02 -1.26 -4.53 119.74 121.98 1vj6 s LYS 61 Ca 0.00 -2.50 0.00 0.00 0.02 0.00 0.00 55.97 53.49 1vj6 s LYS 61 Cb 0.00 -5.01 0.00 0.00 -0.52 0.00 0.00 37.83 32.30 1vj6 s LYS 61 CO 0.00 -1.73 0.00 0.41 -0.92 0.00 0.00 175.35 173.11 1vj6 n GLY 62 N 4.23 0.00 3.97 -3.33 0.00 -1.20 -4.93 105.19 103.93 1vj6 n GLY 62 Ca 0.34 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.15 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 6.04 -0.17 1.61 1.01 -1.26 -4.30 116.67 119.61 1vj6 s ASP 63 Ca 0.00 0.01 -0.21 0.00 0.71 0.00 0.00 52.55 53.07 1vj6 s ASP 63 Cb 0.00 -1.49 -0.03 0.00 1.01 0.00 0.00 42.92 42.41 1vj6 s ASP 63 CO 0.00 -0.40 0.61 -0.60 0.21 0.00 0.00 175.17 174.99 1vj6 s ARG 64 N -4.22 4.27 -0.27 8.23 3.52 -0.92 -2.91 118.95 126.65 1vj6 s ARG 64 Ca 0.43 0.63 -0.09 0.00 -0.13 0.00 0.00 55.73 56.56 1vj6 s ARG 64 Cb -0.10 -3.54 -0.04 0.00 -1.56 0.00 0.00 34.95 29.72 1vj6 s ARG 64 CO 0.32 -0.13 0.14 0.54 -0.81 0.00 0.00 175.30 175.37 1vj6 s VAL 65 N 1.53 4.91 -0.16 7.11 0.11 0.43 -0.22 120.40 134.12 1vj6 s VAL 65 Ca 0.29 0.03 0.16 0.00 -2.93 0.00 0.00 61.98 59.54 1vj6 s VAL 65 Cb -0.16 -3.32 -0.22 0.00 -1.53 0.00 0.00 36.38 31.15 1vj6 s VAL 65 CO 0.11 0.29 0.10 0.00 -3.33 0.00 0.00 175.10 172.27 1vj6 n LEU 66 N 4.98 0.00 -3.76 2.54 -0.00 0.29 -2.19 117.00 118.87 1vj6 n LEU 66 Ca -0.15 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 55.76 1vj6 n LEU 66 Cb 0.52 0.38 -0.05 0.00 -0.00 0.00 0.00 43.42 44.27 1vj6 n LEU 66 CO 0.32 0.38 0.09 0.00 -0.00 0.00 0.00 177.39 178.19 1vj6 s ALA 67 N -2.52 -0.61 -0.04 1.47 0.00 -1.05 -1.60 121.76 117.41 1vj6 s ALA 67 Ca -0.08 -0.35 -0.01 0.00 0.00 0.00 0.00 51.96 51.51 1vj6 s ALA 67 Cb 0.06 0.70 0.03 0.00 0.00 0.00 0.00 23.12 23.91 1vj6 s ALA 67 CO 0.72 -0.64 0.05 0.08 0.00 0.00 0.00 175.76 175.97 1vj6 s VAL 68 N -3.86 -0.05 -1.88 0.00 1.01 0.37 -0.13 120.40 115.86 1vj6 s VAL 68 Ca 0.07 0.34 0.00 0.00 0.00 0.00 0.00 61.98 62.39 1vj6 s VAL 68 Cb 0.02 -0.16 0.00 0.00 0.00 0.00 0.00 36.38 36.24 1vj6 s VAL 68 CO -0.08 0.16 0.00 -3.20 0.00 0.00 0.00 175.10 171.98 1vj6 n ASN 69 N 4.97 -5.70 0.00 3.32 2.85 -0.08 -0.13 115.26 120.50 1vj6 n ASN 69 Ca -0.10 0.15 0.00 0.00 -0.11 0.00 0.00 54.58 54.52 1vj6 n ASN 69 Cb 0.50 -4.80 0.00 0.00 1.24 0.00 0.00 39.78 36.72 1vj6 n ASN 69 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1vj6 n GLY 70 N -0.84 0.98 3.35 8.20 0.00 -1.26 -4.98 105.19 110.63 1vj6 n GLY 70 Ca -0.23 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.34 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 -3.55 5.15 0.31 1.61 1.01 0.82 -5.04 120.40 120.71 1vj6 s VAL 71 Ca 0.00 -1.25 -0.29 0.00 0.00 0.00 0.00 61.98 60.44 1vj6 s VAL 71 Cb 0.00 -4.29 -0.11 0.00 0.00 0.00 0.00 36.38 31.98 1vj6 s VAL 71 CO 0.00 -0.81 1.49 -0.94 0.00 0.00 0.00 175.10 174.84 1vj6 s SER 72 N 3.25 6.49 0.13 3.32 1.04 -1.26 -0.48 113.70 126.19 1vj6 s SER 72 Ca 0.05 2.87 -0.15 0.00 0.48 0.00 0.00 55.95 59.20 1vj6 s SER 72 Cb -0.27 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.21 1vj6 s SER 72 CO 0.05 -0.80 1.63 -0.07 0.98 0.00 0.00 173.24 175.03 1vj6 h LEU 73 N 4.26 0.67 -1.52 2.42 3.38 -1.66 -3.47 115.31 119.39 1vj6 h LEU 73 Ca -0.48 -0.24 -0.17 0.00 0.09 0.00 0.00 57.88 57.08 1vj6 h LEU 73 Cb 1.22 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 41.80 1vj6 h LEU 73 CO 0.73 0.74 -0.50 1.21 0.09 0.00 0.00 178.44 180.71 1vj6 n GLU 74 N -4.51 -0.79 0.00 1.13 0.00 -1.26 -1.27 120.64 113.95 1vj6 n GLU 74 Ca 0.00 0.57 0.00 0.00 0.00 0.00 0.00 57.16 57.73 1vj6 n GLU 74 Cb 0.22 -0.82 0.00 0.00 0.00 0.00 0.00 31.44 30.84 1vj6 n GLU 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1vj6 n GLY 75 N -0.11 2.86 3.77 8.31 0.00 -1.26 -5.09 105.19 113.67 1vj6 n GLY 75 Ca -0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.59 3.37 0.05 4.61 0.00 -0.39 -4.79 121.76 122.03 1vj6 s ALA 76 Ca 0.00 1.24 0.00 0.00 0.00 0.00 0.00 51.96 53.20 1vj6 s ALA 76 Cb 0.00 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.64 1vj6 s ALA 76 CO 0.00 -0.73 0.00 0.25 0.00 0.00 0.00 175.76 175.28 1vj6 n THR 77 N 0.44 0.00 -0.02 0.00 -2.24 -1.26 -2.15 114.28 109.05 1vj6 n THR 77 Ca 0.02 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.67 1vj6 n THR 77 Cb 0.43 -0.42 -0.10 0.00 -2.10 0.00 0.00 70.33 68.13 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 -0.03 -0.39 4.78 2.76 -1.88 -2.28 115.15 118.12 1vj6 h HIS 78 Ca 0.00 -0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.13 1vj6 h HIS 78 Cb 0.00 0.01 -0.02 0.00 1.55 0.00 0.00 27.41 28.95 1vj6 h HIS 78 CO 0.00 0.60 0.11 -0.22 -1.30 0.00 0.00 177.93 177.12 1vj6 h LYS 79 N -0.70 0.61 -0.10 5.26 3.64 -1.96 -1.92 116.57 121.41 1vj6 h LYS 79 Ca -0.00 -0.14 -0.08 0.00 -1.27 0.00 0.00 60.65 59.15 1vj6 h LYS 79 Cb 0.64 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.37 1vj6 h LYS 79 CO 0.01 0.63 -0.31 0.37 -2.27 0.00 0.00 179.45 177.87 1vj6 h GLN 80 N 0.48 0.20 -0.60 1.90 -0.00 -1.93 -0.88 115.11 114.28 1vj6 h GLN 80 Ca 0.12 -0.07 -0.07 0.00 -0.00 0.00 0.00 58.65 58.63 1vj6 h GLN 80 Cb 0.28 -0.01 -0.02 0.00 0.00 0.00 0.00 27.48 27.73 1vj6 h GLN 80 CO -0.00 0.50 0.08 0.00 0.00 0.00 0.00 178.83 179.40 1vj6 h ALA 81 N 1.51 0.79 0.23 3.38 0.00 -1.23 -1.08 119.26 122.87 1vj6 h ALA 81 Ca 0.02 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.68 1vj6 h ALA 81 Cb 0.65 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1vj6 h ALA 81 CO 0.05 0.56 -0.34 0.28 0.00 0.00 0.00 179.25 179.79 1vj6 h VAL 82 N 0.90 0.28 -0.72 0.00 2.07 -1.01 -2.43 116.25 115.35 1vj6 h VAL 82 Ca 0.18 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.86 1vj6 h VAL 82 Cb 0.45 0.28 -0.12 0.00 -1.52 0.00 0.00 31.29 30.38 1vj6 h VAL 82 CO 0.01 0.00 0.07 -0.08 0.02 0.00 0.00 177.57 177.60 1vj6 h GLU 83 N -0.64 0.16 -0.16 1.57 4.81 -1.07 0.33 114.58 119.57 1vj6 h GLU 83 Ca 0.00 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 1vj6 h GLU 83 Cb 0.62 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.96 1vj6 h GLU 83 CO -0.13 0.11 -0.02 1.15 -0.73 0.00 0.00 179.01 179.38 1vj6 h THR 84 N 0.17 1.12 0.14 0.32 2.02 -1.04 -1.66 112.91 113.98 1vj6 h THR 84 Ca 0.40 -0.49 -0.35 0.00 0.77 0.00 0.00 66.41 66.75 1vj6 h THR 84 Cb 0.69 1.03 -0.01 0.00 -1.74 0.00 0.00 68.15 68.12 1vj6 h THR 84 CO -0.58 0.16 -1.83 -0.07 0.37 0.00 0.00 175.52 173.57 1vj6 h LEU 85 N 0.23 0.47 0.23 2.58 3.38 -0.80 -3.43 115.31 117.96 1vj6 h LEU 85 Ca 0.06 -0.92 -0.32 0.00 0.09 0.00 0.00 57.88 56.78 1vj6 h LEU 85 Cb 0.20 -0.15 0.03 0.00 0.09 0.00 0.00 40.66 40.83 1vj6 h LEU 85 CO 0.01 1.80 -1.43 0.08 0.09 0.00 0.00 178.44 178.99 1vj6 h ARG 86 N 0.00 0.48 -0.99 1.13 -0.00 -0.21 -3.34 114.38 111.45 1vj6 h ARG 86 Ca -0.38 -0.82 -0.24 0.00 -0.00 0.00 0.00 59.98 58.53 1vj6 h ARG 86 Cb 2.00 0.31 -0.14 0.00 -0.00 0.00 0.00 29.97 32.13 1vj6 h ARG 86 CO 0.10 1.39 0.31 -1.71 -0.00 0.00 0.00 179.97 180.07 1vj6 n ASN 87 N -3.67 3.36 -4.91 0.08 5.15 -0.64 -4.84 115.26 109.79 1vj6 n ASN 87 Ca -0.15 -2.77 -0.30 0.00 -0.60 0.00 0.00 54.58 50.76 1vj6 n ASN 87 Cb 1.09 -0.66 -0.04 0.00 -0.53 0.00 0.00 39.78 39.64 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 -1.60 5.20 -0.06 -0.44 -4.23 -1.25 -5.07 115.64 108.20 1vj6 s THR 88 Ca 0.27 -0.14 -0.14 0.00 -1.18 0.00 0.00 61.69 60.50 1vj6 s THR 88 Cb 0.23 -3.66 -0.09 0.00 1.34 0.00 0.00 72.50 70.32 1vj6 s THR 88 CO 0.05 -0.02 0.56 1.23 -0.54 0.00 0.00 174.62 175.91 1vj6 h GLY 89 N 2.58 -0.33 0.00 3.99 0.00 -1.93 -3.48 103.07 103.90 1vj6 h GLY 89 Ca -0.46 0.12 0.00 0.00 0.00 0.00 0.00 47.33 46.99 1vj6 h GLY 89 CO 0.72 -0.12 0.00 -0.18 0.00 0.00 0.00 176.54 176.95 1vj6 n GLN 90 N -4.98 0.00 -2.45 4.80 7.27 -1.26 -5.01 117.38 115.74 1vj6 n GLN 90 Ca -0.06 0.00 -0.42 0.00 0.07 0.00 0.00 57.00 56.59 1vj6 n GLN 90 Cb 0.19 0.00 -0.03 0.00 2.41 0.00 0.00 30.24 32.81 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 -1.25 4.16 -0.30 1.69 1.01 -1.26 -3.22 120.40 121.24 1vj6 s VAL 91 Ca 0.00 1.54 0.02 0.00 0.00 0.00 0.00 61.98 63.54 1vj6 s VAL 91 Cb 0.00 -3.99 0.08 0.00 0.00 0.00 0.00 36.38 32.48 1vj6 s VAL 91 CO 0.00 0.08 0.01 -0.69 0.00 0.00 0.00 175.10 174.51 1vj6 s VAL 92 N 1.39 1.76 -0.64 2.92 1.01 0.41 -4.91 120.40 122.34 1vj6 s VAL 92 Ca 0.57 -1.75 -0.27 0.00 0.00 0.00 0.00 61.98 60.53 1vj6 s VAL 92 Cb -0.27 -2.18 0.03 0.00 0.00 0.00 0.00 36.38 33.96 1vj6 s VAL 92 CO 0.27 -0.41 1.17 -1.00 0.00 0.00 0.00 175.10 175.13 1vj6 s HIS 93 N 1.21 2.52 -0.33 5.22 3.76 -1.26 -1.10 115.29 125.31 1vj6 s HIS 93 Ca 0.04 0.14 -0.26 0.00 -0.15 0.00 0.00 55.06 54.83 1vj6 s HIS 93 Cb -0.19 -4.48 0.01 0.00 1.11 0.00 0.00 32.58 29.03 1vj6 s HIS 93 CO -0.11 -1.73 0.91 -0.51 -0.85 0.00 0.00 174.74 172.46 1vj6 s LEU 94 N 5.03 4.02 -0.81 0.89 1.43 0.17 -0.90 118.68 128.51 1vj6 s LEU 94 Ca 0.37 0.72 -0.21 0.00 -1.03 0.00 0.00 54.13 53.97 1vj6 s LEU 94 Cb -0.09 -3.26 0.09 0.00 0.03 0.00 0.00 46.19 42.96 1vj6 s LEU 94 CO 0.20 -0.78 1.10 -0.22 0.23 0.00 0.00 176.35 176.88 1vj6 s LEU 95 N 3.33 4.47 0.14 1.79 0.20 0.81 -1.17 118.68 128.25 1vj6 s LEU 95 Ca 0.38 -1.41 -0.02 0.00 0.69 0.00 0.00 54.13 53.76 1vj6 s LEU 95 Cb -0.13 -2.44 -0.05 0.00 -0.43 0.00 0.00 46.19 43.15 1vj6 s LEU 95 CO 0.16 -1.33 0.34 -0.76 -0.29 0.00 0.00 176.35 174.46 1vj6 s LEU 96 N 3.74 4.28 0.07 -0.68 1.43 -0.53 -0.55 118.68 126.46 1vj6 s LEU 96 Ca 0.29 0.45 0.08 0.00 -1.03 0.00 0.00 54.13 53.92 1vj6 s LEU 96 Cb -0.10 -3.18 -0.03 0.00 0.03 0.00 0.00 46.19 42.91 1vj6 s LEU 96 CO 0.01 0.06 -0.20 -0.70 0.23 0.00 0.00 176.35 175.74 1vj6 s GLU 97 N -2.81 1.21 -0.26 1.70 2.12 0.70 -0.69 118.70 120.67 1vj6 s GLU 97 Ca 0.39 -1.04 -0.38 0.00 0.36 0.00 0.00 54.97 54.30 1vj6 s GLU 97 Cb -0.12 -1.39 -0.14 0.00 0.26 0.00 0.00 34.13 32.74 1vj6 s GLU 97 CO 0.27 0.34 1.88 1.63 -0.54 0.00 0.00 175.26 178.83 1vj6 n LYS 98 N 1.45 1.34 -2.04 4.30 4.76 -0.57 -2.15 118.16 125.25 1vj6 n LYS 98 Ca -0.19 0.47 -0.42 0.00 -2.87 0.00 0.00 58.31 55.30 1vj6 n LYS 98 Cb 0.54 -2.29 0.00 0.00 -1.84 0.00 0.00 35.03 31.44 1vj6 n LYS 98 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1vj6 n GLY 99 N 4.81 4.51 3.37 0.72 0.00 -1.26 -4.73 105.19 112.60 1vj6 n GLY 99 Ca 0.29 -1.82 -0.20 0.00 0.00 0.00 0.00 46.02 44.29 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 1.94 1.39 0.23 1.61 -1.52 -1.26 -4.82 119.66 117.23 1vj6 s GLN 100 Ca 0.44 -1.59 -0.22 0.00 -1.95 0.00 0.00 55.36 52.04 1vj6 s GLN 100 Cb 0.12 -1.31 -0.09 0.00 -0.22 0.00 0.00 33.01 31.51 1vj6 s GLN 100 CO -0.04 0.24 0.79 0.54 -0.25 0.00 0.00 175.29 176.56 1vj6 s VAL 101 N -2.65 4.45 -2.00 1.09 0.11 -1.26 -4.89 120.40 115.24 1vj6 s VAL 101 Ca 0.23 1.49 0.09 0.00 -2.93 0.00 0.00 61.98 60.86 1vj6 s VAL 101 Cb -0.03 -3.95 0.27 0.00 -1.53 0.00 0.00 36.38 31.14 1vj6 s VAL 101 CO 0.09 0.25 1.00 -2.65 -3.33 0.00 0.00 175.10 170.46