#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 1.04 0.34 2.12 1.02 -1.26 -5.14 119.74 117.87 1vj6 s LYS 9 Ca 0.00 -1.21 -0.29 0.00 0.02 0.00 0.00 55.97 54.49 1vj6 s LYS 9 Cb 0.00 0.33 -0.11 0.00 -0.52 0.00 0.00 37.83 37.54 1vj6 s LYS 9 CO 0.00 -0.35 1.42 -2.14 -0.92 0.00 0.00 175.35 173.35 1vj6 s PRO 10 N -3.97 4.22 -0.41 -1.68 0.02 -1.26 -4.02 135.00 127.90 1vj6 s PRO 10 Ca 0.17 2.41 -0.01 0.00 0.02 0.00 0.00 61.00 63.58 1vj6 s PRO 10 Cb 0.05 -3.02 0.00 0.00 0.02 0.00 0.00 34.50 31.54 1vj6 s PRO 10 CO -0.01 -0.39 0.17 0.41 -0.33 0.00 0.00 177.00 176.85 1vj6 n GLY 11 N 0.84 0.37 3.57 0.52 0.00 -1.26 -4.98 105.19 104.25 1vj6 n GLY 11 Ca 0.01 -0.54 -0.41 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.93 6.10 -0.27 1.61 2.15 -1.26 -4.93 116.67 117.14 1vj6 s ASP 12 Ca 0.08 0.16 -0.16 0.00 0.43 0.00 0.00 52.55 53.06 1vj6 s ASP 12 Cb -0.04 -2.55 -0.03 0.00 -0.30 0.00 0.00 42.92 40.00 1vj6 s ASP 12 CO 0.10 -1.76 0.43 0.42 -0.17 0.00 0.00 175.17 174.19 1vj6 s THR 13 N 6.14 5.13 -0.25 1.71 -4.23 -1.26 -1.58 115.64 121.30 1vj6 s THR 13 Ca 0.50 0.64 -0.05 0.00 -1.18 0.00 0.00 61.69 61.60 1vj6 s THR 13 Cb -0.10 -3.76 0.00 0.00 1.34 0.00 0.00 72.50 69.98 1vj6 s THR 13 CO 0.23 0.10 0.01 0.72 -0.54 0.00 0.00 174.62 175.14 1vj6 s PHE 14 N 2.16 3.05 -0.95 3.99 -0.71 -0.27 -4.96 117.98 120.29 1vj6 s PHE 14 Ca 0.17 -1.00 -0.18 0.00 -1.04 0.00 0.00 56.93 54.88 1vj6 s PHE 14 Cb -0.16 -2.16 0.14 0.00 -1.21 0.00 0.00 43.02 39.64 1vj6 s PHE 14 CO 0.10 -0.57 1.12 -2.00 -1.34 0.00 0.00 175.22 172.53 1vj6 s GLU 15 N 1.47 3.65 0.46 1.99 2.12 -1.26 -1.82 118.70 125.31 1vj6 s GLU 15 Ca 0.04 -1.91 -0.20 0.00 0.36 0.00 0.00 54.97 53.26 1vj6 s GLU 15 Cb -0.16 -4.89 -0.10 0.00 0.26 0.00 0.00 34.13 29.25 1vj6 s GLU 15 CO -0.01 -1.73 0.98 0.08 -0.54 0.00 0.00 175.26 174.05 1vj6 s VAL 16 N 2.33 4.22 -0.03 3.70 1.01 -0.56 -4.90 120.40 126.16 1vj6 s VAL 16 Ca 0.32 1.33 0.01 0.00 0.00 0.00 0.00 61.98 63.64 1vj6 s VAL 16 Cb -0.05 -3.56 0.02 0.00 0.00 0.00 0.00 36.38 32.79 1vj6 s VAL 16 CO -0.09 -0.35 -0.03 -1.83 0.00 0.00 0.00 175.10 172.80 1vj6 s GLU 17 N -3.35 0.60 0.21 2.72 -1.05 -1.26 -0.49 118.70 116.07 1vj6 s GLU 17 Ca 0.63 -0.05 -0.18 0.00 -0.15 0.00 0.00 54.97 55.23 1vj6 s GLU 17 Cb -0.11 -0.66 0.03 0.00 -0.44 0.00 0.00 34.13 32.94 1vj6 s GLU 17 CO 0.18 -0.08 0.55 -0.48 0.95 0.00 0.00 175.26 176.38 1vj6 s LEU 18 N 0.85 0.02 -0.18 1.83 2.34 -0.80 -4.96 118.68 117.78 1vj6 s LEU 18 Ca -0.10 -0.50 -0.09 0.00 0.06 0.00 0.00 54.13 53.49 1vj6 s LEU 18 Cb -0.13 2.21 -0.05 0.00 -0.56 0.00 0.00 46.19 47.66 1vj6 s LEU 18 CO -0.00 -1.09 0.13 0.00 -1.06 0.00 0.00 176.35 174.33 1vj6 s ALA 19 N -3.88 3.73 0.86 1.48 0.00 -1.26 -0.37 121.76 122.32 1vj6 s ALA 19 Ca 0.10 -0.68 -0.11 0.00 0.00 0.00 0.00 51.96 51.27 1vj6 s ALA 19 Cb -0.02 -2.10 0.11 0.00 0.00 0.00 0.00 23.12 21.11 1vj6 s ALA 19 CO -0.01 0.29 1.09 -1.59 0.00 0.00 0.00 175.76 175.54 1vj6 s LYS 20 N -0.02 1.52 -0.46 0.00 -2.85 -1.18 -4.98 119.74 111.77 1vj6 s LYS 20 Ca 0.10 0.85 -0.01 0.00 -1.00 0.00 0.00 55.97 55.90 1vj6 s LYS 20 Cb -0.11 -1.84 0.12 0.00 -2.06 0.00 0.00 37.83 33.94 1vj6 s LYS 20 CO -0.00 -2.07 0.24 -0.08 0.10 0.00 0.00 175.35 173.54 1vj6 s THR 21 N -2.96 3.17 -1.21 3.79 -1.32 0.38 -4.77 115.64 112.72 1vj6 s THR 21 Ca 0.63 -2.42 -0.08 0.00 -1.21 0.00 0.00 61.69 58.60 1vj6 s THR 21 Cb -0.17 -3.17 -0.01 0.00 -1.51 0.00 0.00 72.50 67.63 1vj6 s THR 21 CO 0.56 -0.73 0.75 0.47 -2.21 0.00 0.00 174.62 173.46 1vj6 n ASP 22 N 4.15 -3.43 -1.72 8.08 8.00 -1.26 -3.47 116.55 126.90 1vj6 n ASP 22 Ca 0.02 -0.89 -0.06 0.00 0.71 0.00 0.00 54.79 54.58 1vj6 n ASP 22 Cb 0.40 -3.93 0.03 0.00 -0.02 0.00 0.00 41.12 37.59 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 -1.59 0.23 3.18 0.44 0.00 -1.26 -5.04 105.19 101.15 1vj6 n GLY 23 Ca -0.19 -0.31 0.04 0.00 0.00 0.00 0.00 46.02 45.56 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 -3.39 -0.08 0.11 1.61 1.04 -1.23 -4.98 113.70 106.79 1vj6 s SER 24 Ca 0.02 0.11 -0.09 0.00 0.48 0.00 0.00 55.95 56.47 1vj6 s SER 24 Cb -0.01 1.09 -0.13 0.00 0.10 0.00 0.00 66.02 67.08 1vj6 s SER 24 CO 0.23 -0.02 1.30 -0.07 0.98 0.00 0.00 173.24 175.66 1vj6 h LEU 25 N 7.13 0.77 0.00 2.42 3.38 -1.93 0.11 115.31 127.19 1vj6 h LEU 25 Ca -0.13 -0.56 0.00 0.00 0.09 0.00 0.00 57.88 57.28 1vj6 h LEU 25 Cb 1.13 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.65 1vj6 h LEU 25 CO 0.04 1.35 0.00 0.61 0.09 0.00 0.00 178.44 180.53 1vj6 n GLY 26 N 0.83 1.86 3.52 0.83 0.00 -1.26 -0.40 105.19 110.57 1vj6 n GLY 26 Ca -0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.95 4.08 -0.38 -0.61 -4.36 -1.26 -3.58 121.20 113.14 1vj6 s ILE 27 Ca 0.00 -0.29 -0.24 0.00 -0.26 0.00 0.00 60.65 59.86 1vj6 s ILE 27 Cb 0.00 -2.81 0.01 0.00 1.25 0.00 0.00 42.46 40.92 1vj6 s ILE 27 CO 0.00 0.48 0.85 -0.44 0.24 0.00 0.00 174.94 176.07 1vj6 s SER 28 N 0.45 6.58 -0.02 4.36 0.01 -0.98 -5.00 113.70 119.11 1vj6 s SER 28 Ca -0.02 0.38 -0.25 0.00 1.31 0.00 0.00 55.95 57.38 1vj6 s SER 28 Cb -0.14 -2.43 -0.04 0.00 0.21 0.00 0.00 66.02 63.62 1vj6 s SER 28 CO 0.02 -0.83 0.76 0.68 0.41 0.00 0.00 173.24 174.28 1vj6 s VAL 29 N 3.33 4.92 0.28 3.43 -7.23 -1.26 -0.24 120.40 123.62 1vj6 s VAL 29 Ca 0.34 1.58 0.06 0.00 -1.81 0.00 0.00 61.98 62.16 1vj6 s VAL 29 Cb -0.12 -4.10 -0.06 0.00 0.56 0.00 0.00 36.38 32.66 1vj6 s VAL 29 CO 0.19 0.28 -0.05 0.28 -0.31 0.00 0.00 175.10 175.49 1vj6 s THR 30 N 0.53 1.58 0.00 5.32 -1.32 -0.22 -4.83 115.64 116.69 1vj6 s THR 30 Ca 0.40 -2.11 0.00 0.00 -1.21 0.00 0.00 61.69 58.76 1vj6 s THR 30 Cb -0.19 -2.45 0.00 0.00 -1.51 0.00 0.00 72.50 68.35 1vj6 s THR 30 CO 0.21 -0.30 0.00 0.61 -2.21 0.00 0.00 174.62 172.93 1vj6 n GLY 31 N -0.57 0.60 0.00 6.08 0.00 -1.26 -1.74 105.19 108.30 1vj6 n GLY 31 Ca -0.05 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.86 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 -0.77 0.22 -0.02 0.00 -1.25 -4.21 105.19 99.16 1vj6 n GLY 32 Ca 0.00 -1.71 0.15 0.00 0.00 0.00 0.00 46.02 44.46 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 0.00 -1.00 1.61 3.04 -0.55 -1.63 116.25 117.73 1vj6 h VAL 33 Ca 0.00 -0.01 0.05 0.00 -1.01 0.00 0.00 66.70 65.72 1vj6 h VAL 33 Cb 0.00 0.66 -0.06 0.00 -2.01 0.00 0.00 31.29 29.88 1vj6 h VAL 33 CO 0.00 0.00 0.65 -1.13 -1.01 0.00 0.00 177.57 176.08 1vj6 h ASN 34 N 0.00 1.07 -1.73 3.17 -0.73 -1.81 -3.44 115.58 112.11 1vj6 h ASN 34 Ca 0.00 -0.00 -0.56 0.00 1.87 0.00 0.00 56.30 57.61 1vj6 h ASN 34 Cb 0.02 -0.24 -0.08 0.00 0.27 0.00 0.00 38.32 38.29 1vj6 h ASN 34 CO 0.00 0.72 -0.52 0.28 -0.37 0.00 0.00 177.43 177.53 1vj6 s THR 35 N -6.05 2.59 -1.07 -3.57 -1.32 -0.61 -5.05 115.64 100.56 1vj6 s THR 35 Ca -0.13 -1.72 -0.22 0.00 -1.21 0.00 0.00 61.69 58.42 1vj6 s THR 35 Cb 0.19 -2.96 0.06 0.00 -1.51 0.00 0.00 72.50 68.28 1vj6 s THR 35 CO 0.81 -0.09 1.48 -0.55 -2.21 0.00 0.00 174.62 174.06 1vj6 s SER 36 N -3.87 6.58 -0.58 8.08 0.15 -1.26 -4.77 113.70 118.03 1vj6 s SER 36 Ca 0.39 -1.69 0.05 0.00 0.70 0.00 0.00 55.95 55.40 1vj6 s SER 36 Cb 0.01 -2.56 0.19 0.00 -1.71 0.00 0.00 66.02 61.95 1vj6 s SER 36 CO 0.22 -1.41 0.49 0.55 1.20 0.00 0.00 173.24 174.30 1vj6 n VAL 37 N 6.67 0.70 0.00 4.45 3.14 -1.26 -5.01 118.33 127.01 1vj6 n VAL 37 Ca 0.35 -4.42 0.00 0.00 -2.96 0.00 0.00 64.34 57.31 1vj6 n VAL 37 Cb 0.50 -2.00 0.00 0.00 -1.06 0.00 0.00 33.84 31.28 1vj6 n VAL 37 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1vj6 n ARG 38 N 1.98 0.00 0.01 1.45 1.74 -1.26 -3.30 116.66 117.28 1vj6 n ARG 38 Ca 0.25 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.29 1vj6 n ARG 38 Cb 0.41 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.84 1vj6 n ARG 38 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1vj6 n HIS 39 N 0.00 0.00 0.00 -1.55 8.25 -1.26 -5.14 115.22 115.52 1vj6 n HIS 39 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1vj6 n HIS 39 Cb 0.00 -0.14 0.00 0.00 1.12 0.00 0.00 29.99 30.97 1vj6 n HIS 39 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1vj6 n GLY 40 N 2.94 1.37 7.00 -1.41 0.00 -1.21 -4.41 105.19 109.47 1vj6 n GLY 40 Ca -0.05 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.32 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 -1.54 3.27 -0.02 0.00 -1.07 -4.26 105.19 101.57 1vj6 n GLY 41 Ca 0.00 -1.30 -0.09 0.00 0.00 0.00 0.00 46.02 44.62 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 0.00 0.09 0.06 -0.61 1.10 -1.05 -3.82 121.20 116.97 1vj6 s ILE 42 Ca 0.00 -1.50 -0.07 0.00 -0.51 0.00 0.00 60.65 58.57 1vj6 s ILE 42 Cb 0.00 -1.82 -0.01 0.00 0.15 0.00 0.00 42.46 40.78 1vj6 s ILE 42 CO 0.00 -0.40 0.15 -0.31 -2.11 0.00 0.00 174.94 172.27 1vj6 s TYR 43 N -3.97 0.17 -0.09 3.50 1.51 -0.71 -1.26 117.35 116.50 1vj6 s TYR 43 Ca 0.17 -0.53 -0.20 0.00 -1.01 0.00 0.00 57.07 55.50 1vj6 s TYR 43 Cb 0.05 -0.10 -0.04 0.00 -0.11 0.00 0.00 41.96 41.75 1vj6 s TYR 43 CO -0.01 -0.46 0.55 0.08 -1.11 0.00 0.00 175.55 174.60 1vj6 s VAL 44 N -3.25 5.11 -0.17 0.71 1.01 -0.81 -1.05 120.40 121.95 1vj6 s VAL 44 Ca 0.00 1.12 -0.17 0.00 0.00 0.00 0.00 61.98 62.93 1vj6 s VAL 44 Cb 0.02 -3.89 -0.14 0.00 0.00 0.00 0.00 36.38 32.37 1vj6 s VAL 44 CO -0.08 0.32 0.17 0.50 0.00 0.00 0.00 175.10 176.01 1vj6 h LYS 45 N 6.56 0.00 -4.53 2.72 1.63 -0.93 0.24 116.57 122.25 1vj6 h LYS 45 Ca -0.42 0.00 -0.46 0.00 -0.85 0.00 0.00 60.65 58.92 1vj6 h LYS 45 Cb 1.19 0.00 -0.32 0.00 -0.60 0.00 0.00 32.23 32.49 1vj6 h LYS 45 CO 0.74 0.64 -0.80 0.00 -3.45 0.00 0.00 179.45 176.59 1vj6 s ALA 46 N -2.46 1.01 -0.12 5.00 0.00 -1.22 -4.57 121.76 119.40 1vj6 s ALA 46 Ca -0.21 -0.33 -0.10 0.00 0.00 0.00 0.00 51.96 51.32 1vj6 s ALA 46 Cb 0.03 -0.43 -0.05 0.00 0.00 0.00 0.00 23.12 22.67 1vj6 s ALA 46 CO 0.45 0.12 0.20 0.42 0.00 0.00 0.00 175.76 176.95 1vj6 s ILE 47 N 0.46 5.39 0.16 0.00 -1.09 -1.26 -2.31 121.20 122.55 1vj6 s ILE 47 Ca -0.09 0.36 -0.23 0.00 -2.23 0.00 0.00 60.65 58.46 1vj6 s ILE 47 Cb -0.12 -3.49 -0.08 0.00 -1.58 0.00 0.00 42.46 37.19 1vj6 s ILE 47 CO 0.02 0.56 0.72 -0.63 -1.23 0.00 0.00 174.94 174.38 1vj6 s ILE 48 N -0.64 4.49 -0.80 2.92 1.01 -1.23 -4.99 121.20 121.96 1vj6 s ILE 48 Ca 0.16 1.51 -0.25 0.00 0.00 0.00 0.00 60.65 62.06 1vj6 s ILE 48 Cb -0.13 -4.03 -0.06 0.00 0.01 0.00 0.00 42.46 38.26 1vj6 s ILE 48 CO 0.05 0.46 2.05 -2.16 0.00 0.00 0.00 174.94 175.33 1vj6 s PRO 49 N -1.33 2.36 -1.04 2.79 0.04 -1.26 -3.99 135.00 132.57 1vj6 s PRO 49 Ca 0.36 0.15 -0.07 0.00 0.04 0.00 0.00 61.00 61.48 1vj6 s PRO 49 Cb -0.21 -4.85 -0.06 0.00 0.04 0.00 0.00 34.50 29.42 1vj6 s PRO 49 CO 0.24 -3.45 0.90 1.63 0.04 0.00 0.00 177.00 176.35 1vj6 n LYS 50 N 8.92 -2.11 -0.01 4.56 4.76 -1.26 -5.01 118.16 128.02 1vj6 n LYS 50 Ca 0.37 0.87 -0.00 0.00 -2.87 0.00 0.00 58.31 56.68 1vj6 n LYS 50 Cb 0.48 -5.69 -0.00 0.00 -1.84 0.00 0.00 35.03 27.98 1vj6 n LYS 50 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 1vj6 h GLY 51 N -1.05 0.00 0.00 0.72 0.00 -1.86 -3.48 103.07 97.40 1vj6 h GLY 51 Ca -0.58 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.75 1vj6 h GLY 51 CO 0.43 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.97 1vj6 n ALA 52 N -2.33 2.76 0.05 3.60 0.00 -1.05 -4.91 120.51 118.62 1vj6 n ALA 52 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.41 1vj6 n ALA 52 Cb 0.02 0.00 0.23 0.00 0.00 0.00 0.00 19.45 19.70 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 1.14 -0.40 0.00 0.00 -1.09 -2.00 119.26 116.91 1vj6 h ALA 53 Ca 0.00 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.50 1vj6 h ALA 53 Cb 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1vj6 h ALA 53 CO 0.00 0.55 0.03 1.49 0.00 0.00 0.00 179.25 181.32 1vj6 h GLU 54 N 0.33 0.62 0.00 0.00 4.81 -1.83 -2.87 114.58 115.64 1vj6 h GLU 54 Ca 0.05 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 1vj6 h GLU 54 Cb 0.69 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.98 1vj6 h GLU 54 CO 0.05 0.62 0.00 0.45 -0.73 0.00 0.00 179.01 179.40 1vj6 n SER 55 N -4.27 0.00 0.01 1.04 2.88 -0.76 -2.45 113.62 110.07 1vj6 n SER 55 Ca 0.02 -0.76 -0.12 0.00 -1.33 0.00 0.00 58.87 56.68 1vj6 n SER 55 Cb 0.24 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.61 1vj6 n SER 55 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1vj6 h ASP 56 N 0.00 -0.08 0.00 -3.46 3.32 -1.45 -3.49 116.42 111.26 1vj6 h ASP 56 Ca 0.00 -0.51 0.00 0.00 0.02 0.00 0.00 57.03 56.54 1vj6 h ASP 56 Cb 0.00 0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.57 1vj6 h ASP 56 CO 0.00 0.52 0.00 0.61 -1.72 0.00 0.00 179.24 178.65 1vj6 n GLY 57 N 0.57 -0.57 0.26 2.75 0.00 -1.02 -5.01 105.19 102.18 1vj6 n GLY 57 Ca -0.08 0.29 0.17 0.00 0.00 0.00 0.00 46.02 46.39 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 -6.67 1.61 3.08 -1.89 -3.47 114.38 107.04 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 0.00 0.76 0.42 -1.07 0.00 0.00 179.97 180.08 1vj6 s ILE 59 N -3.63 2.85 0.42 2.04 1.01 -1.26 -5.04 121.20 117.60 1vj6 s ILE 59 Ca 0.01 0.67 0.04 0.00 0.00 0.00 0.00 60.65 61.37 1vj6 s ILE 59 Cb 0.09 -3.43 -0.02 0.00 0.01 0.00 0.00 42.46 39.11 1vj6 s ILE 59 CO 0.52 0.09 0.13 -1.00 0.00 0.00 0.00 174.94 174.67 1vj6 s HIS 60 N 0.43 1.79 -0.14 3.97 3.76 -1.26 -4.88 115.29 118.96 1vj6 s HIS 60 Ca 0.62 -1.29 -0.27 0.00 -0.15 0.00 0.00 55.06 53.97 1vj6 s HIS 60 Cb -0.40 -1.18 -0.02 0.00 1.11 0.00 0.00 32.58 32.09 1vj6 s HIS 60 CO 0.38 -0.29 0.88 0.15 -0.85 0.00 0.00 174.74 175.01 1vj6 s LYS 61 N -3.70 4.35 0.00 1.40 1.02 -1.26 -3.19 119.74 118.37 1vj6 s LYS 61 Ca 0.22 1.14 0.00 0.00 0.02 0.00 0.00 55.97 57.34 1vj6 s LYS 61 Cb 0.02 -3.55 0.00 0.00 -0.52 0.00 0.00 37.83 33.78 1vj6 s LYS 61 CO 0.14 -0.29 0.00 0.41 -0.92 0.00 0.00 175.35 174.69 1vj6 n GLY 62 N 3.30 0.65 3.89 -3.33 0.00 0.07 -5.02 105.19 104.76 1vj6 n GLY 62 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 1vj6 n GLY 62 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1vj6 s ASP 63 N -2.59 5.42 -0.15 1.61 1.01 -1.19 -4.63 116.67 116.14 1vj6 s ASP 63 Ca 0.00 0.98 -0.04 0.00 0.71 0.00 0.00 52.55 54.20 1vj6 s ASP 63 Cb 0.00 -1.81 -0.03 0.00 1.01 0.00 0.00 42.92 42.09 1vj6 s ASP 63 CO 0.00 -1.31 -0.01 -0.60 0.21 0.00 0.00 175.17 173.46 1vj6 s ARG 64 N -5.27 3.66 -0.24 8.23 3.52 -0.75 -1.92 118.95 126.17 1vj6 s ARG 64 Ca 0.57 -0.47 -0.07 0.00 -0.13 0.00 0.00 55.73 55.63 1vj6 s ARG 64 Cb -0.11 -2.96 -0.03 0.00 -1.56 0.00 0.00 34.95 30.29 1vj6 s ARG 64 CO 0.50 0.30 0.06 0.54 -0.81 0.00 0.00 175.30 175.89 1vj6 s VAL 65 N 0.21 4.27 -0.22 7.11 0.11 -0.39 -0.03 120.40 131.46 1vj6 s VAL 65 Ca -0.01 -0.19 0.04 0.00 -2.93 0.00 0.00 61.98 58.90 1vj6 s VAL 65 Cb -0.13 -2.99 -0.20 0.00 -1.53 0.00 0.00 36.38 31.52 1vj6 s VAL 65 CO 0.02 0.35 -0.05 0.00 -3.33 0.00 0.00 175.10 172.09 1vj6 n LEU 66 N 4.85 2.25 -3.84 2.54 -0.00 -0.10 -2.52 117.00 120.18 1vj6 n LEU 66 Ca -0.16 -0.04 -0.10 0.00 -0.00 0.00 0.00 56.01 55.71 1vj6 n LEU 66 Cb 0.51 -0.61 -0.08 0.00 -0.00 0.00 0.00 43.42 43.24 1vj6 n LEU 66 CO 0.31 0.82 -0.08 0.00 -0.00 0.00 0.00 177.39 178.43 1vj6 s ALA 67 N -2.52 -0.34 -0.05 1.47 0.00 -1.05 -1.21 121.76 118.05 1vj6 s ALA 67 Ca -0.27 -0.39 -0.01 0.00 0.00 0.00 0.00 51.96 51.29 1vj6 s ALA 67 Cb 0.08 0.37 0.03 0.00 0.00 0.00 0.00 23.12 23.60 1vj6 s ALA 67 CO 0.68 -0.43 0.02 0.08 0.00 0.00 0.00 175.76 176.11 1vj6 s VAL 68 N -3.08 0.15 -1.30 0.00 1.01 0.16 -0.24 120.40 117.10 1vj6 s VAL 68 Ca -0.01 0.21 -0.04 0.00 0.00 0.00 0.00 61.98 62.14 1vj6 s VAL 68 Cb 0.01 -0.32 0.02 0.00 0.00 0.00 0.00 36.38 36.09 1vj6 s VAL 68 CO -0.07 0.20 0.28 0.59 0.00 0.00 0.00 175.10 176.10 1vj6 n ASN 69 N 4.85 -4.50 -0.30 3.32 3.02 -0.29 -1.02 115.26 120.34 1vj6 n ASN 69 Ca -0.12 -0.11 -0.04 0.00 -0.03 0.00 0.00 54.58 54.28 1vj6 n ASN 69 Cb 0.50 -3.73 -0.02 0.00 -0.61 0.00 0.00 39.78 35.92 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 -1.09 0.64 3.11 7.41 0.00 -1.26 -5.02 105.19 108.98 1vj6 n GLY 70 Ca -0.11 -0.89 -0.35 0.00 0.00 0.00 0.00 46.02 44.68 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 -2.14 2.96 0.30 1.61 1.01 -0.19 -5.09 120.40 118.86 1vj6 s VAL 71 Ca 0.00 -1.95 -0.30 0.00 0.00 0.00 0.00 61.98 59.73 1vj6 s VAL 71 Cb 0.00 -2.98 -0.12 0.00 0.00 0.00 0.00 36.38 33.29 1vj6 s VAL 71 CO 0.00 -0.52 1.57 -1.20 0.00 0.00 0.00 175.10 174.96 1vj6 n SER 72 N 4.52 3.81 -3.75 3.32 7.64 -1.26 -0.66 113.62 127.23 1vj6 n SER 72 Ca -0.04 1.16 -0.42 0.00 1.01 0.00 0.00 58.87 60.58 1vj6 n SER 72 Cb 0.42 -1.59 -0.02 0.00 -1.01 0.00 0.00 64.21 62.00 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 1.91 5.58 -4.56 -3.43 4.77 -0.35 -4.92 117.00 116.00 1vj6 n LEU 73 Ca 0.08 -3.61 -0.40 0.00 -0.03 0.00 0.00 56.01 52.05 1vj6 n LEU 73 Cb 0.37 -1.45 -0.03 0.00 -2.33 0.00 0.00 43.42 39.98 1vj6 n LEU 73 CO 0.64 0.40 1.33 -1.61 -1.33 0.00 0.00 177.39 176.82 1vj6 s GLU 74 N 4.05 3.04 -1.27 3.23 2.02 -1.26 -2.58 118.70 125.93 1vj6 s GLU 74 Ca 0.52 0.20 -0.06 0.00 0.02 0.00 0.00 54.97 55.65 1vj6 s GLU 74 Cb 0.13 -4.23 0.01 0.00 0.10 0.00 0.00 34.13 30.14 1vj6 s GLU 74 CO 0.01 -2.28 0.84 0.41 0.02 0.00 0.00 175.26 174.25 1vj6 n GLY 75 N 5.45 -0.37 3.76 -1.39 0.00 -1.26 -4.99 105.19 106.40 1vj6 n GLY 75 Ca 0.11 0.09 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.21 3.35 0.00 4.61 0.00 -1.19 -4.71 121.76 120.62 1vj6 s ALA 76 Ca 0.41 0.54 0.00 0.00 0.00 0.00 0.00 51.96 52.92 1vj6 s ALA 76 Cb -0.18 -3.14 0.00 0.00 0.00 0.00 0.00 23.12 19.80 1vj6 s ALA 76 CO 0.51 0.23 0.00 -2.37 0.00 0.00 0.00 175.76 174.13 1vj6 n THR 77 N 1.41 0.00 0.08 0.00 5.66 -1.26 0.10 114.28 120.27 1vj6 n THR 77 Ca -0.02 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.86 1vj6 n THR 77 Cb 0.48 -0.28 -0.05 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 0.64 -0.46 -0.10 1.09 -0.00 -1.93 0.64 115.15 115.02 1vj6 h HIS 78 Ca 0.00 0.01 -0.21 0.00 -0.00 0.00 0.00 60.37 60.17 1vj6 h HIS 78 Cb 0.00 0.20 0.01 0.00 -0.00 0.00 0.00 27.41 27.62 1vj6 h HIS 78 CO 0.00 -0.26 -0.75 -0.22 -0.00 0.00 0.00 177.93 176.70 1vj6 h LYS 79 N -0.32 0.68 -0.31 5.26 3.11 -1.97 -2.10 116.57 120.92 1vj6 h LYS 79 Ca 0.04 -0.61 0.01 0.00 -2.81 0.00 0.00 60.65 57.28 1vj6 h LYS 79 Cb 0.36 0.14 -0.02 0.00 -1.00 0.00 0.00 32.23 31.71 1vj6 h LYS 79 CO -0.12 1.21 0.19 0.37 -2.81 0.00 0.00 179.45 178.29 1vj6 h GLN 80 N 0.36 0.37 0.00 1.90 4.15 -1.95 -2.59 115.11 117.36 1vj6 h GLN 80 Ca -0.07 -0.02 -0.06 0.00 0.77 0.00 0.00 58.65 59.27 1vj6 h GLN 80 Cb 1.40 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 29.00 1vj6 h GLN 80 CO 0.15 0.25 -0.27 0.00 -1.93 0.00 0.00 178.83 177.03 1vj6 h ALA 81 N 1.13 1.55 0.32 3.38 0.00 -0.86 -1.58 119.26 123.20 1vj6 h ALA 81 Ca 0.12 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1vj6 h ALA 81 Cb -0.01 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1vj6 h ALA 81 CO -0.05 0.33 -0.37 0.28 0.00 0.00 0.00 179.25 179.45 1vj6 h VAL 82 N 0.00 0.24 -0.87 0.00 2.07 -1.18 -2.17 116.25 114.35 1vj6 h VAL 82 Ca -0.00 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.68 1vj6 h VAL 82 Cb 0.48 0.24 -0.10 0.00 -1.52 0.00 0.00 31.29 30.39 1vj6 h VAL 82 CO 0.03 0.00 0.44 -0.33 0.02 0.00 0.00 177.57 177.74 1vj6 h GLU 83 N -0.73 0.58 0.00 1.57 4.39 -0.99 0.58 114.58 119.99 1vj6 h GLU 83 Ca -0.02 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 1vj6 h GLU 83 Cb 0.67 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 29.19 1vj6 h GLU 83 CO -0.10 0.39 -0.06 1.15 -1.16 0.00 0.00 179.01 179.23 1vj6 h THR 84 N 0.60 1.02 0.01 1.13 2.02 -1.11 -1.10 112.91 115.49 1vj6 h THR 84 Ca 0.48 -0.20 -0.36 0.00 0.77 0.00 0.00 66.41 67.10 1vj6 h THR 84 Cb 0.72 1.11 -0.06 0.00 -1.74 0.00 0.00 68.15 68.18 1vj6 h THR 84 CO -0.39 0.06 -2.28 0.18 0.37 0.00 0.00 175.52 173.46 1vj6 n LEU 85 N -4.44 1.13 -0.09 2.58 4.77 -0.66 -4.75 117.00 115.53 1vj6 n LEU 85 Ca -0.03 0.04 -0.20 0.00 -0.03 0.00 0.00 56.01 55.79 1vj6 n LEU 85 Cb 0.14 -0.05 -0.12 0.00 -2.33 0.00 0.00 43.42 41.06 1vj6 n LEU 85 CO 0.34 0.63 -0.32 -0.09 -1.33 0.00 0.00 177.39 176.63 1vj6 h ARG 86 N 0.01 0.02 -1.03 3.23 1.12 0.23 -3.38 114.38 114.57 1vj6 h ARG 86 Ca -0.51 -0.03 -0.35 0.00 -1.11 0.00 0.00 59.98 57.98 1vj6 h ARG 86 Cb 2.11 0.01 -0.20 0.00 -0.01 0.00 0.00 29.97 31.88 1vj6 h ARG 86 CO 0.01 1.02 0.44 -1.71 -3.11 0.00 0.00 179.97 176.62 1vj6 n ASN 87 N -4.42 3.80 -3.07 -3.80 5.15 -0.43 -4.88 115.26 107.61 1vj6 n ASN 87 Ca -0.27 -3.06 -0.12 0.00 -0.60 0.00 0.00 54.58 50.53 1vj6 n ASN 87 Cb 0.66 -0.75 0.07 0.00 -0.53 0.00 0.00 39.78 39.23 1vj6 n ASN 87 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1vj6 n THR 88 N -0.52 0.00 -1.48 -0.44 -2.24 -1.26 -5.02 114.28 103.32 1vj6 n THR 88 Ca 0.39 -0.62 -0.29 0.00 -2.27 0.00 0.00 64.05 61.26 1vj6 n THR 88 Cb 1.20 -1.41 0.17 0.00 -2.10 0.00 0.00 70.33 68.19 1vj6 n THR 88 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1vj6 s GLY 89 N -3.96 1.62 0.21 3.38 0.00 -1.26 -4.99 107.32 102.32 1vj6 s GLY 89 Ca 0.33 -0.75 -0.09 0.00 0.00 0.00 0.00 44.72 44.21 1vj6 s GLY 89 CO 0.22 -0.07 1.84 -1.61 0.00 0.00 0.00 173.10 173.48 1vj6 h GLN 90 N -1.82 1.12 -6.34 2.90 5.75 -1.97 -3.40 115.11 111.35 1vj6 h GLN 90 Ca -0.48 -0.13 -0.55 0.00 -0.15 0.00 0.00 58.65 57.34 1vj6 h GLN 90 Cb 1.30 -0.22 -0.02 0.00 1.07 0.00 0.00 27.48 29.62 1vj6 h GLN 90 CO 0.50 0.82 0.63 0.08 -2.65 0.00 0.00 178.83 178.21 1vj6 s VAL 91 N -5.86 4.34 -0.30 2.39 1.01 -1.26 -3.08 120.40 117.65 1vj6 s VAL 91 Ca -0.13 1.66 0.03 0.00 0.00 0.00 0.00 61.98 63.55 1vj6 s VAL 91 Cb 0.16 -4.07 0.08 0.00 0.00 0.00 0.00 36.38 32.55 1vj6 s VAL 91 CO 0.81 0.03 -0.03 -0.69 0.00 0.00 0.00 175.10 175.22 1vj6 s VAL 92 N 1.89 2.16 -0.62 2.92 1.01 0.50 -4.93 120.40 123.33 1vj6 s VAL 92 Ca 0.55 -1.94 -0.28 0.00 0.00 0.00 0.00 61.98 60.31 1vj6 s VAL 92 Cb -0.24 -2.43 0.02 0.00 0.00 0.00 0.00 36.38 33.72 1vj6 s VAL 92 CO 0.23 -0.31 1.35 -1.00 0.00 0.00 0.00 175.10 175.38 1vj6 s HIS 93 N 1.03 2.32 -0.28 5.22 3.76 -1.26 -1.91 115.29 124.17 1vj6 s HIS 93 Ca 0.01 0.33 -0.21 0.00 -0.15 0.00 0.00 55.06 55.03 1vj6 s HIS 93 Cb -0.19 -4.47 -0.01 0.00 1.11 0.00 0.00 32.58 29.01 1vj6 s HIS 93 CO -0.07 -1.94 0.67 -0.51 -0.85 0.00 0.00 174.74 172.04 1vj6 s LEU 94 N 5.90 4.10 -0.79 0.89 1.43 0.35 -1.14 118.68 129.42 1vj6 s LEU 94 Ca 0.46 0.60 -0.21 0.00 -1.03 0.00 0.00 54.13 53.95 1vj6 s LEU 94 Cb -0.09 -2.89 0.09 0.00 0.03 0.00 0.00 46.19 43.33 1vj6 s LEU 94 CO 0.22 -0.47 1.05 -0.22 0.23 0.00 0.00 176.35 177.17 1vj6 s LEU 95 N 2.64 4.63 0.02 1.79 0.20 0.66 -1.50 118.68 127.12 1vj6 s LEU 95 Ca 0.27 -1.46 -0.05 0.00 0.69 0.00 0.00 54.13 53.58 1vj6 s LEU 95 Cb -0.15 -2.42 -0.05 0.00 -0.43 0.00 0.00 46.19 43.15 1vj6 s LEU 95 CO 0.10 -1.28 0.25 -0.76 -0.29 0.00 0.00 176.35 174.37 1vj6 s LEU 96 N 3.52 4.36 -0.03 -0.68 1.43 -0.76 -0.92 118.68 125.60 1vj6 s LEU 96 Ca 0.28 0.49 0.07 0.00 -1.03 0.00 0.00 54.13 53.94 1vj6 s LEU 96 Cb -0.11 -2.72 -0.02 0.00 0.03 0.00 0.00 46.19 43.37 1vj6 s LEU 96 CO 0.01 0.24 -0.25 -0.70 0.23 0.00 0.00 176.35 175.87 1vj6 s GLU 97 N -1.90 2.21 0.03 1.70 2.12 0.96 -1.12 118.70 122.70 1vj6 s GLU 97 Ca 0.29 -0.91 -0.30 0.00 0.36 0.00 0.00 54.97 54.40 1vj6 s GLU 97 Cb -0.13 -2.08 -0.07 0.00 0.26 0.00 0.00 34.13 32.11 1vj6 s GLU 97 CO 0.18 0.53 1.54 0.21 -0.54 0.00 0.00 175.26 177.18 1vj6 s LYS 98 N -0.54 4.23 -1.38 4.30 2.47 -0.62 -1.80 119.74 126.41 1vj6 s LYS 98 Ca 0.08 2.15 -0.14 0.00 -1.56 0.00 0.00 55.97 56.50 1vj6 s LYS 98 Cb -0.11 -3.61 0.08 0.00 -1.46 0.00 0.00 37.83 32.73 1vj6 s LYS 98 CO -0.00 -0.67 2.00 0.41 0.16 0.00 0.00 175.35 177.25 1vj6 n GLY 99 N 3.85 3.94 3.96 5.54 0.00 -1.26 -4.71 105.19 116.50 1vj6 n GLY 99 Ca 0.15 -1.66 -0.22 0.00 0.00 0.00 0.00 46.02 44.28 1vj6 n GLY 99 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1vj6 s GLN 100 N 2.93 3.43 -0.27 1.61 1.03 -1.26 -4.91 119.66 122.22 1vj6 s GLN 100 Ca 0.47 -0.56 -0.02 0.00 0.04 0.00 0.00 55.36 55.30 1vj6 s GLN 100 Cb 0.10 -2.77 0.03 0.00 0.03 0.00 0.00 33.01 30.40 1vj6 s GLN 100 CO -0.03 0.25 -0.04 0.08 -2.54 0.00 0.00 175.29 173.02 1vj6 s VAL 101 N -2.17 2.96 -2.00 3.63 1.01 -1.26 -5.02 120.40 117.54 1vj6 s VAL 101 Ca 0.38 -1.12 0.14 0.00 0.00 0.00 0.00 61.98 61.37 1vj6 s VAL 101 Cb -0.09 -2.57 0.40 0.00 0.00 0.00 0.00 36.38 34.12 1vj6 s VAL 101 CO 0.33 0.10 1.25 -2.65 0.00 0.00 0.00 175.10 174.13