#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 1.32 0.71 0.03 1.02 -1.26 -5.10 119.74 116.47 1vj6 s LYS 9 Ca 0.00 -1.63 -0.11 0.00 0.02 0.00 0.00 55.97 54.24 1vj6 s LYS 9 Cb 0.00 -0.84 0.02 0.00 -0.52 0.00 0.00 37.83 36.49 1vj6 s LYS 9 CO 0.00 0.03 1.07 -1.25 -0.92 0.00 0.00 175.35 174.28 1vj6 s PRO 10 N -3.76 2.74 0.00 -1.68 0.04 -1.26 -3.88 135.00 127.20 1vj6 s PRO 10 Ca 0.25 1.06 0.00 0.00 0.04 0.00 0.00 61.00 62.35 1vj6 s PRO 10 Cb 0.03 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.61 1vj6 s PRO 10 CO 0.07 -1.26 0.00 0.41 0.04 0.00 0.00 177.00 176.27 1vj6 n GLY 11 N -1.60 0.85 3.30 0.56 0.00 -1.26 -5.01 105.19 102.03 1vj6 n GLY 11 Ca 0.08 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.65 1vj6 n GLY 11 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1vj6 s ASP 12 N -2.98 6.18 0.32 1.61 -1.08 -1.25 -5.04 116.67 114.42 1vj6 s ASP 12 Ca 0.00 -1.92 -0.05 0.00 -0.52 0.00 0.00 52.55 50.07 1vj6 s ASP 12 Cb 0.00 -2.18 -0.05 0.00 -1.46 0.00 0.00 42.92 39.23 1vj6 s ASP 12 CO 0.00 -0.80 0.59 0.42 0.52 0.00 0.00 175.17 175.90 1vj6 s THR 13 N 1.40 5.00 -0.05 1.71 -4.23 -1.26 -2.70 115.64 115.51 1vj6 s THR 13 Ca 0.05 0.07 -0.01 0.00 -1.18 0.00 0.00 61.69 60.62 1vj6 s THR 13 Cb -0.27 -3.76 0.03 0.00 1.34 0.00 0.00 72.50 69.84 1vj6 s THR 13 CO 0.01 -0.40 0.04 0.72 -0.54 0.00 0.00 174.62 174.44 1vj6 s PHE 14 N -2.18 0.26 -1.12 3.99 -0.71 0.04 -4.99 117.98 113.26 1vj6 s PHE 14 Ca 0.44 0.11 -0.08 0.00 -1.04 0.00 0.00 56.93 56.36 1vj6 s PHE 14 Cb -0.10 -0.55 0.27 0.00 -1.21 0.00 0.00 43.02 41.43 1vj6 s PHE 14 CO 0.32 -0.22 1.24 0.39 -1.34 0.00 0.00 175.22 175.60 1vj6 n GLU 15 N 5.08 3.72 -2.95 1.99 1.02 -1.26 -0.84 120.64 127.40 1vj6 n GLU 15 Ca -0.08 -4.41 -0.40 0.00 -0.02 0.00 0.00 57.16 52.25 1vj6 n GLU 15 Cb 0.50 -2.59 -0.05 0.00 -0.02 0.00 0.00 31.44 29.28 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 -1.31 4.85 -0.19 2.62 1.01 -0.16 -4.84 120.40 122.38 1vj6 s VAL 16 Ca 0.32 1.65 -0.04 0.00 0.00 0.00 0.00 61.98 63.92 1vj6 s VAL 16 Cb -0.06 -4.13 -0.02 0.00 0.00 0.00 0.00 36.38 32.17 1vj6 s VAL 16 CO -0.03 0.29 -0.04 -1.83 0.00 0.00 0.00 175.10 173.49 1vj6 s GLU 17 N 0.42 3.51 0.10 2.72 1.03 -1.26 0.61 118.70 125.83 1vj6 s GLU 17 Ca 0.41 -0.58 0.07 0.00 0.03 0.00 0.00 54.97 54.90 1vj6 s GLU 17 Cb -0.20 -2.97 -0.03 0.00 -0.80 0.00 0.00 34.13 30.13 1vj6 s GLU 17 CO 0.22 0.01 -0.19 -0.51 -1.33 0.00 0.00 175.26 173.47 1vj6 s LEU 18 N 0.96 2.32 -0.36 1.83 1.43 0.15 -4.96 118.68 120.04 1vj6 s LEU 18 Ca 0.00 -0.70 -0.03 0.00 -1.03 0.00 0.00 54.13 52.37 1vj6 s LEU 18 Cb -0.15 -0.78 0.08 0.00 0.03 0.00 0.00 46.19 45.37 1vj6 s LEU 18 CO 0.01 0.01 0.12 0.00 0.23 0.00 0.00 176.35 176.71 1vj6 s ALA 19 N -1.35 3.02 0.31 4.21 0.00 -1.26 -0.22 121.76 126.48 1vj6 s ALA 19 Ca 0.06 -2.15 -0.29 0.00 0.00 0.00 0.00 51.96 49.58 1vj6 s ALA 19 Cb -0.09 -2.23 -0.10 0.00 0.00 0.00 0.00 23.12 20.70 1vj6 s ALA 19 CO 0.04 -1.55 1.17 -1.59 0.00 0.00 0.00 175.76 173.83 1vj6 s LYS 20 N 1.22 4.49 -0.69 0.00 0.00 -1.18 -4.89 119.74 118.69 1vj6 s LYS 20 Ca 0.02 1.93 -0.15 0.00 0.00 0.00 0.00 55.97 57.76 1vj6 s LYS 20 Cb -0.21 -3.09 0.17 0.00 0.00 0.00 0.00 37.83 34.70 1vj6 s LYS 20 CO -0.02 0.03 0.65 -0.08 0.00 0.00 0.00 175.35 175.94 1vj6 s THR 21 N -1.19 5.36 -1.11 3.79 -1.32 -0.39 -4.37 115.64 116.41 1vj6 s THR 21 Ca 0.47 -1.91 -0.09 0.00 -1.21 0.00 0.00 61.69 58.95 1vj6 s THR 21 Cb -0.34 -4.42 -0.04 0.00 -1.51 0.00 0.00 72.50 66.19 1vj6 s THR 21 CO 0.44 -0.98 0.87 -0.67 -2.21 0.00 0.00 174.62 172.08 1vj6 n ASP 22 N 4.77 -5.36 -3.05 8.08 2.03 -1.26 -3.61 116.55 118.15 1vj6 n ASP 22 Ca 0.00 -0.79 -0.14 0.00 0.52 0.00 0.00 54.79 54.37 1vj6 n ASP 22 Cb 0.44 -4.61 0.07 0.00 -0.72 0.00 0.00 41.12 36.30 1vj6 n ASP 22 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1vj6 n GLY 23 N -1.37 -0.38 3.12 0.27 0.00 -1.26 -5.01 105.19 100.56 1vj6 n GLY 23 Ca -0.12 0.11 0.04 0.00 0.00 0.00 0.00 46.02 46.06 1vj6 n GLY 23 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1vj6 s SER 24 N -3.98 -0.99 0.06 1.61 0.15 -1.24 -4.97 113.70 104.34 1vj6 s SER 24 Ca 0.09 0.00 -0.16 0.00 0.70 0.00 0.00 55.95 56.58 1vj6 s SER 24 Cb -0.01 1.56 -0.17 0.00 -1.71 0.00 0.00 66.02 65.68 1vj6 s SER 24 CO 0.62 -0.17 1.25 -0.07 1.20 0.00 0.00 173.24 176.08 1vj6 h LEU 25 N 7.35 0.74 0.00 3.45 3.38 -1.91 -1.02 115.31 127.30 1vj6 h LEU 25 Ca -0.04 -0.64 0.00 0.00 0.09 0.00 0.00 57.88 57.29 1vj6 h LEU 25 Cb 1.19 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.72 1vj6 h LEU 25 CO 0.02 1.27 0.00 0.61 0.09 0.00 0.00 178.44 180.43 1vj6 n GLY 26 N 0.72 0.92 3.16 0.83 0.00 -1.26 -0.27 105.19 109.29 1vj6 n GLY 26 Ca -0.08 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.42 1.49 -0.28 -0.61 -4.36 -1.26 -2.76 121.20 112.00 1vj6 s ILE 27 Ca 0.00 -0.76 -0.27 0.00 -0.26 0.00 0.00 60.65 59.35 1vj6 s ILE 27 Cb 0.00 -1.27 0.01 0.00 1.25 0.00 0.00 42.46 42.45 1vj6 s ILE 27 CO 0.00 0.43 0.96 -0.44 0.24 0.00 0.00 174.94 176.13 1vj6 s SER 28 N -0.09 6.90 -0.25 4.36 0.01 -0.50 -5.00 113.70 119.14 1vj6 s SER 28 Ca -0.01 1.05 -0.20 0.00 1.31 0.00 0.00 55.95 58.09 1vj6 s SER 28 Cb -0.11 -2.50 -0.02 0.00 0.21 0.00 0.00 66.02 63.61 1vj6 s SER 28 CO 0.02 -0.71 0.63 0.68 0.41 0.00 0.00 173.24 174.27 1vj6 s VAL 29 N 3.25 4.99 0.32 3.43 -7.23 -1.26 -0.42 120.40 123.47 1vj6 s VAL 29 Ca 0.40 1.15 0.10 0.00 -1.81 0.00 0.00 61.98 61.83 1vj6 s VAL 29 Cb -0.14 -3.94 -0.06 0.00 0.56 0.00 0.00 36.38 32.80 1vj6 s VAL 29 CO 0.11 0.04 -0.11 0.28 -0.31 0.00 0.00 175.10 175.11 1vj6 s THR 30 N 2.43 2.41 0.00 5.32 -1.32 -0.50 -4.91 115.64 119.08 1vj6 s THR 30 Ca 0.27 -2.23 0.00 0.00 -1.21 0.00 0.00 61.69 58.52 1vj6 s THR 30 Cb -0.16 -2.57 0.00 0.00 -1.51 0.00 0.00 72.50 68.27 1vj6 s THR 30 CO 0.09 -0.27 0.00 0.61 -2.21 0.00 0.00 174.62 172.84 1vj6 n GLY 31 N -0.77 -0.03 0.00 6.08 0.00 -1.26 -0.69 105.19 108.53 1vj6 n GLY 31 Ca -0.05 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.57 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 2.66 0.28 -0.02 0.00 -0.96 -3.90 105.19 103.26 1vj6 n GLY 32 Ca 0.00 -1.90 0.19 0.00 0.00 0.00 0.00 46.02 44.30 1vj6 n GLY 32 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1vj6 h VAL 33 N 0.00 0.00 0.00 1.61 -1.51 -1.32 -2.55 116.25 112.48 1vj6 h VAL 33 Ca 0.00 -0.07 -0.08 0.00 -1.23 0.00 0.00 66.70 65.32 1vj6 h VAL 33 Cb 0.00 0.92 -0.01 0.00 -2.13 0.00 0.00 31.29 30.07 1vj6 h VAL 33 CO 0.00 0.00 -0.37 -1.13 -1.23 0.00 0.00 177.57 174.84 1vj6 h ASN 34 N 0.00 0.00 -0.49 4.19 -1.24 -1.87 -1.78 115.58 114.39 1vj6 h ASN 34 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1vj6 h ASN 34 Cb 0.07 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.12 1vj6 h ASN 34 CO 0.00 0.37 0.00 0.41 -1.29 0.00 0.00 177.43 176.92 1vj6 n THR 35 N -3.65 1.37 -3.29 -3.57 -1.04 -0.97 -5.03 114.28 98.10 1vj6 n THR 35 Ca -0.01 -1.17 -0.28 0.00 -2.04 0.00 0.00 64.05 60.56 1vj6 n THR 35 Cb 0.48 0.31 0.03 0.00 -1.82 0.00 0.00 70.33 69.33 1vj6 n THR 35 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1vj6 n SER 36 N 0.77 -6.33 -4.32 8.00 3.41 -0.67 -5.00 113.62 109.48 1vj6 n SER 36 Ca 0.19 0.05 -0.36 0.00 -0.26 0.00 0.00 58.87 58.49 1vj6 n SER 36 Cb 0.64 -2.94 -0.13 0.00 -0.26 0.00 0.00 64.21 61.52 1vj6 n SER 36 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1vj6 s VAL 37 N -1.91 3.66 0.00 -3.33 -7.23 -1.25 -4.95 120.40 105.39 1vj6 s VAL 37 Ca 0.33 -0.67 0.00 0.00 -1.81 0.00 0.00 61.98 59.82 1vj6 s VAL 37 Cb -0.05 -2.82 0.00 0.00 0.56 0.00 0.00 36.38 34.07 1vj6 s VAL 37 CO 0.84 0.20 0.00 0.54 -0.31 0.00 0.00 175.10 176.37 1vj6 n ARG 38 N 4.82 0.00 -2.35 4.82 1.74 -1.26 -0.92 116.66 123.51 1vj6 n ARG 38 Ca -0.16 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 56.85 1vj6 n ARG 38 Cb 0.49 0.00 0.05 0.00 -1.02 0.00 0.00 32.46 31.97 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 1.61 0.00 -1.55 8.25 -1.26 -5.07 115.22 117.20 1vj6 n HIS 39 Ca 0.00 -2.01 0.00 0.00 -0.26 0.00 0.00 57.72 55.45 1vj6 n HIS 39 Cb 0.00 -0.26 0.00 0.00 1.12 0.00 0.00 29.99 30.85 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 -0.58 0.81 3.99 -1.41 0.00 -0.10 -4.77 105.19 103.14 1vj6 n GLY 40 Ca 0.20 -0.96 0.02 0.00 0.00 0.00 0.00 46.02 45.29 1vj6 n GLY 40 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1vj6 s GLY 41 N 0.00 -0.09 0.31 -0.02 0.00 -1.26 -3.54 107.32 102.71 1vj6 s GLY 41 Ca 0.00 -0.03 0.10 0.00 0.00 0.00 0.00 44.72 44.80 1vj6 s GLY 41 CO 0.00 5.47 -0.10 -1.50 0.00 0.00 0.00 173.10 176.97 1vj6 s ILE 42 N -2.03 2.56 0.14 0.90 1.10 -0.95 -2.25 121.20 120.67 1vj6 s ILE 42 Ca 0.29 -2.20 -0.03 0.00 -0.51 0.00 0.00 60.65 58.20 1vj6 s ILE 42 Cb -0.01 -2.57 -0.03 0.00 0.15 0.00 0.00 42.46 40.00 1vj6 s ILE 42 CO 0.00 -0.30 0.11 -0.31 -2.11 0.00 0.00 174.94 172.33 1vj6 s TYR 43 N -2.52 0.74 0.01 3.50 1.51 0.14 0.35 117.35 121.08 1vj6 s TYR 43 Ca 0.32 -1.11 -0.20 0.00 -1.01 0.00 0.00 57.07 55.06 1vj6 s TYR 43 Cb -0.02 -0.38 -0.06 0.00 -0.11 0.00 0.00 41.96 41.40 1vj6 s TYR 43 CO 0.17 -0.56 0.59 0.08 -1.11 0.00 0.00 175.55 174.71 1vj6 s VAL 44 N -4.02 4.88 0.00 0.71 1.01 -1.10 -1.41 120.40 120.47 1vj6 s VAL 44 Ca 0.22 1.23 0.00 0.00 0.00 0.00 0.00 61.98 63.43 1vj6 s VAL 44 Cb 0.06 -3.92 0.00 0.00 0.00 0.00 0.00 36.38 32.52 1vj6 s VAL 44 CO 0.01 0.45 0.00 1.17 0.00 0.00 0.00 175.10 176.72 1vj6 n LYS 45 N 2.53 0.00 -4.04 2.72 0.00 0.43 -3.06 118.16 116.75 1vj6 n LYS 45 Ca -0.08 0.16 -0.35 0.00 0.00 0.00 0.00 58.31 58.04 1vj6 n LYS 45 Cb 0.51 -0.57 -0.12 0.00 0.00 0.00 0.00 35.03 34.85 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 -3.47 3.17 -0.12 3.14 0.00 -1.25 -4.61 121.76 118.62 1vj6 s ALA 46 Ca 0.00 -0.92 -0.27 0.00 0.00 0.00 0.00 51.96 50.77 1vj6 s ALA 46 Cb 0.00 -1.85 -0.02 0.00 0.00 0.00 0.00 23.12 21.25 1vj6 s ALA 46 CO 0.00 -0.07 0.89 0.42 0.00 0.00 0.00 175.76 177.00 1vj6 s ILE 47 N 0.85 4.86 0.33 0.00 -1.09 -1.26 -1.40 121.20 123.50 1vj6 s ILE 47 Ca 0.02 1.80 -0.09 0.00 -2.23 0.00 0.00 60.65 60.15 1vj6 s ILE 47 Cb -0.14 -4.21 -0.06 0.00 -1.58 0.00 0.00 42.46 36.47 1vj6 s ILE 47 CO 0.02 0.06 0.66 0.27 -1.23 0.00 0.00 174.94 174.72 1vj6 s ILE 48 N 1.85 4.88 -0.39 2.92 -4.36 -1.11 -4.97 121.20 120.01 1vj6 s ILE 48 Ca 0.43 0.43 -0.28 0.00 -0.26 0.00 0.00 60.65 60.97 1vj6 s ILE 48 Cb -0.18 -3.71 -0.03 0.00 1.25 0.00 0.00 42.46 39.80 1vj6 s ILE 48 CO 0.16 -0.37 1.94 -2.16 0.24 0.00 0.00 174.94 174.76 1vj6 s PRO 49 N -3.54 3.01 -1.07 0.37 0.04 -1.26 -4.03 135.00 128.51 1vj6 s PRO 49 Ca 0.48 1.34 -0.20 0.00 0.04 0.00 0.00 61.00 62.66 1vj6 s PRO 49 Cb -0.11 -4.31 0.01 0.00 0.04 0.00 0.00 34.50 30.14 1vj6 s PRO 49 CO 0.28 -2.25 0.71 0.36 0.04 0.00 0.00 177.00 176.15 1vj6 n LYS 50 N 8.71 -0.96 0.00 4.56 2.85 -1.26 -5.00 118.16 127.06 1vj6 n LYS 50 Ca 0.25 0.46 0.00 0.00 -1.05 0.00 0.00 58.31 57.97 1vj6 n LYS 50 Cb 0.49 -3.32 0.00 0.00 -0.65 0.00 0.00 35.03 31.55 1vj6 n LYS 50 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1vj6 n GLY 51 N -1.82 1.69 0.00 2.58 0.00 -1.26 -4.92 105.19 101.46 1vj6 n GLY 51 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.02 1.72 -0.02 4.61 0.00 0.49 -4.88 120.51 121.41 1vj6 n ALA 52 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 1vj6 n ALA 52 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 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 0.17 -0.78 0.00 0.00 -0.94 -2.98 119.26 114.73 1vj6 h ALA 53 Ca 0.00 -0.52 0.12 0.00 0.00 0.00 0.00 54.91 54.50 1vj6 h ALA 53 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.71 1vj6 h ALA 53 CO 0.00 0.38 0.40 1.49 0.00 0.00 0.00 179.25 181.52 1vj6 h GLU 54 N 0.08 0.61 0.00 0.00 4.81 -1.83 -2.83 114.58 115.42 1vj6 h GLU 54 Ca -0.04 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1vj6 h GLU 54 Cb 1.19 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.44 1vj6 h GLU 54 CO 0.11 0.40 0.00 0.43 -0.73 0.00 0.00 179.01 179.22 1vj6 n SER 55 N -4.86 0.00 0.00 1.04 7.64 -1.13 -2.43 113.62 113.88 1vj6 n SER 55 Ca 0.14 -0.72 0.00 0.00 1.01 0.00 0.00 58.87 59.30 1vj6 n SER 55 Cb 0.34 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.54 1vj6 n SER 55 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1vj6 n ASP 56 N -0.70 0.00 0.00 6.43 2.03 -1.07 -5.04 116.55 118.20 1vj6 n ASP 56 Ca 0.04 0.41 0.00 0.00 0.52 0.00 0.00 54.79 55.77 1vj6 n ASP 56 Cb 0.02 -0.09 0.00 0.00 -0.72 0.00 0.00 41.12 40.33 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 0.49 1.97 0.07 0.27 0.00 -1.02 -5.01 105.19 101.97 1vj6 n GLY 57 Ca 0.00 -0.16 0.11 0.00 0.00 0.00 0.00 46.02 45.97 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 0.00 0.60 -2.33 1.61 1.74 -1.26 -4.91 116.66 112.11 1vj6 n ARG 58 Ca 0.00 -0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.66 1vj6 n ARG 58 Cb 0.00 -1.70 -0.03 0.00 -1.02 0.00 0.00 32.46 29.71 1vj6 n ARG 58 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1vj6 s ILE 59 N -3.41 3.87 0.40 0.55 1.01 -1.26 -5.02 121.20 117.34 1vj6 s ILE 59 Ca -0.03 1.29 0.02 0.00 0.00 0.00 0.00 60.65 61.93 1vj6 s ILE 59 Cb 0.11 -3.83 -0.01 0.00 0.01 0.00 0.00 42.46 38.75 1vj6 s ILE 59 CO 0.83 0.05 0.07 1.41 0.00 0.00 0.00 174.94 177.30 1vj6 n HIS 60 N 4.65 0.54 -2.53 3.97 8.25 -1.26 -4.80 115.22 124.04 1vj6 n HIS 60 Ca 0.11 -2.23 -0.41 0.00 -0.26 0.00 0.00 57.72 54.93 1vj6 n HIS 60 Cb 0.45 -0.14 -0.01 0.00 1.12 0.00 0.00 29.99 31.41 1vj6 n HIS 60 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1vj6 s LYS 61 N -3.47 3.75 0.00 -0.41 1.02 -1.26 -3.65 119.74 115.72 1vj6 s LYS 61 Ca 0.10 -1.66 0.00 0.00 0.02 0.00 0.00 55.97 54.42 1vj6 s LYS 61 Cb 0.00 -5.46 0.00 0.00 -0.52 0.00 0.00 37.83 31.86 1vj6 s LYS 61 CO 0.07 -2.39 0.00 0.41 -0.92 0.00 0.00 175.35 172.52 1vj6 n GLY 62 N 5.87 0.07 3.76 -3.33 0.00 -1.17 -4.96 105.19 105.43 1vj6 n GLY 62 Ca 0.44 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.14 1vj6 n GLY 62 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1vj6 s ASP 63 N 0.00 4.61 -0.08 1.61 1.11 -1.24 -4.54 116.67 118.14 1vj6 s ASP 63 Ca 0.00 2.00 -0.18 0.00 0.18 0.00 0.00 52.55 54.55 1vj6 s ASP 63 Cb 0.00 -2.55 -0.05 0.00 1.07 0.00 0.00 42.92 41.40 1vj6 s ASP 63 CO 0.00 -1.97 0.48 -0.60 1.18 0.00 0.00 175.17 174.26 1vj6 s ARG 64 N -4.40 4.27 -0.31 8.23 6.06 -0.27 -2.72 118.95 129.82 1vj6 s ARG 64 Ca 0.66 0.48 -0.18 0.00 -2.50 0.00 0.00 55.73 54.19 1vj6 s ARG 64 Cb -0.21 -3.38 -0.01 0.00 0.06 0.00 0.00 34.95 31.41 1vj6 s ARG 64 CO 0.48 0.28 0.54 0.08 -2.50 0.00 0.00 175.30 174.19 1vj6 s VAL 65 N 0.20 5.02 -0.20 7.11 1.01 0.15 -0.43 120.40 133.26 1vj6 s VAL 65 Ca 0.26 0.67 0.15 0.00 0.00 0.00 0.00 61.98 63.06 1vj6 s VAL 65 Cb -0.16 -3.92 -0.24 0.00 0.00 0.00 0.00 36.38 32.07 1vj6 s VAL 65 CO 0.12 -0.08 0.06 0.00 0.00 0.00 0.00 175.10 175.19 1vj6 n LEU 66 N 5.70 0.49 -3.69 3.92 -0.00 -0.01 -2.24 117.00 121.18 1vj6 n LEU 66 Ca -0.04 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 55.87 1vj6 n LEU 66 Cb 0.49 0.27 -0.05 0.00 -0.00 0.00 0.00 43.42 44.13 1vj6 n LEU 66 CO 0.43 0.56 0.12 0.00 -0.00 0.00 0.00 177.39 178.51 1vj6 s ALA 67 N -2.50 -0.79 -0.08 1.47 0.00 -1.06 -1.56 121.76 117.25 1vj6 s ALA 67 Ca -0.13 -0.18 -0.02 0.00 0.00 0.00 0.00 51.96 51.63 1vj6 s ALA 67 Cb 0.07 0.68 0.03 0.00 0.00 0.00 0.00 23.12 23.90 1vj6 s ALA 67 CO 0.80 -0.63 0.02 0.08 0.00 0.00 0.00 175.76 176.02 1vj6 s VAL 68 N -3.82 0.26 -1.80 0.00 1.01 0.34 -0.15 120.40 116.25 1vj6 s VAL 68 Ca 0.04 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.13 1vj6 s VAL 68 Cb 0.02 -0.50 0.00 0.00 0.00 0.00 0.00 36.38 35.90 1vj6 s VAL 68 CO -0.11 0.17 0.00 0.59 0.00 0.00 0.00 175.10 175.75 1vj6 n ASN 69 N 5.18 -5.44 0.00 3.32 3.02 0.61 -0.67 115.26 121.28 1vj6 n ASN 69 Ca -0.06 0.17 0.00 0.00 -0.03 0.00 0.00 54.58 54.65 1vj6 n ASN 69 Cb 0.50 -4.63 0.00 0.00 -0.61 0.00 0.00 39.78 35.04 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 -0.78 0.76 3.35 7.41 0.00 -1.26 -5.02 105.19 109.65 1vj6 n GLY 70 Ca -0.22 0.00 -0.45 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 -2.78 5.08 0.05 1.61 1.01 0.16 -5.03 120.40 120.49 1vj6 s VAL 71 Ca 0.00 -1.21 -0.33 0.00 0.00 0.00 0.00 61.98 60.44 1vj6 s VAL 71 Cb 0.00 -4.35 -0.12 0.00 0.00 0.00 0.00 36.38 31.92 1vj6 s VAL 71 CO 0.00 -0.89 1.80 -1.54 0.00 0.00 0.00 175.10 174.47 1vj6 n SER 72 N 5.63 3.61 -0.08 3.32 3.41 -1.26 -0.50 113.62 127.74 1vj6 n SER 72 Ca -0.12 1.00 -0.11 0.00 -0.26 0.00 0.00 58.87 59.38 1vj6 n SER 72 Cb 0.42 -1.45 -0.05 0.00 -0.26 0.00 0.00 64.21 62.87 1vj6 n SER 72 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1vj6 h LEU 73 N 8.33 0.40 -0.09 1.04 3.38 -1.57 -3.46 115.31 123.34 1vj6 h LEU 73 Ca -0.47 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.19 1vj6 h LEU 73 Cb 1.25 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1vj6 h LEU 73 CO 0.93 0.60 0.00 1.21 0.09 0.00 0.00 178.44 181.28 1vj6 n GLU 74 N -4.66 0.00 0.00 1.13 2.13 -1.23 -0.78 120.64 117.23 1vj6 n GLU 74 Ca -0.04 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.78 1vj6 n GLU 74 Cb 0.23 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.94 1vj6 n GLU 74 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1vj6 n GLY 75 N -0.02 1.44 3.76 8.31 0.00 -1.26 -5.08 105.19 112.34 1vj6 n GLY 75 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.95 3.29 0.09 4.61 0.00 0.04 -4.79 121.76 124.05 1vj6 s ALA 76 Ca 0.00 0.69 0.00 0.00 0.00 0.00 0.00 51.96 52.65 1vj6 s ALA 76 Cb 0.00 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.88 1vj6 s ALA 76 CO 0.00 0.04 0.00 0.25 0.00 0.00 0.00 175.76 176.05 1vj6 n THR 77 N 0.98 0.00 -0.05 0.00 -2.24 -1.26 -1.08 114.28 110.62 1vj6 n THR 77 Ca 0.00 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.68 1vj6 n THR 77 Cb 0.47 -1.09 -0.03 0.00 -2.10 0.00 0.00 70.33 67.58 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 -0.01 0.24 -0.15 4.78 2.76 -1.90 -0.77 115.15 120.09 1vj6 h HIS 78 Ca 0.00 0.01 -0.09 0.00 -2.20 0.00 0.00 60.37 58.09 1vj6 h HIS 78 Cb 0.00 -0.08 -0.00 0.00 1.55 0.00 0.00 27.41 28.88 1vj6 h HIS 78 CO 0.00 0.15 -0.26 -0.22 -1.30 0.00 0.00 177.93 176.30 1vj6 h LYS 79 N 0.27 0.44 -0.14 5.26 3.64 -1.94 -1.78 116.57 122.32 1vj6 h LYS 79 Ca 0.08 -0.27 -0.12 0.00 -1.27 0.00 0.00 60.65 59.07 1vj6 h LYS 79 Cb -0.01 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 1vj6 h LYS 79 CO -0.03 0.87 -0.44 0.37 -2.27 0.00 0.00 179.45 177.95 1vj6 h GLN 80 N 0.06 0.32 -0.61 1.90 4.15 -1.93 -2.80 115.11 116.20 1vj6 h GLN 80 Ca 0.01 -0.16 -0.05 0.00 0.77 0.00 0.00 58.65 59.22 1vj6 h GLN 80 Cb 0.84 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.50 1vj6 h GLN 80 CO 0.06 0.70 0.18 0.00 -1.93 0.00 0.00 178.83 177.84 1vj6 h ALA 81 N 1.28 1.16 0.04 3.38 0.00 -1.03 -1.38 119.26 122.72 1vj6 h ALA 81 Ca 0.02 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.75 1vj6 h ALA 81 Cb 0.88 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 1vj6 h ALA 81 CO 0.07 0.58 -0.26 0.28 0.00 0.00 0.00 179.25 179.92 1vj6 h VAL 82 N 0.90 0.41 -0.79 0.00 2.07 -1.21 -2.44 116.25 115.20 1vj6 h VAL 82 Ca 0.20 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.75 1vj6 h VAL 82 Cb 0.28 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 30.42 1vj6 h VAL 82 CO -0.01 0.00 0.52 -0.33 0.02 0.00 0.00 177.57 177.77 1vj6 h GLU 83 N -0.43 0.96 0.00 1.57 5.08 -1.24 0.28 114.58 120.80 1vj6 h GLU 83 Ca 0.05 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1vj6 h GLU 83 Cb 0.49 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 1vj6 h GLU 83 CO -0.20 0.63 -0.08 1.15 -1.00 0.00 0.00 179.01 179.52 1vj6 h THR 84 N 0.99 0.83 0.09 1.13 2.02 -0.92 -0.11 112.91 116.93 1vj6 h THR 84 Ca 0.31 -0.28 -0.35 0.00 0.77 0.00 0.00 66.41 66.86 1vj6 h THR 84 Cb 0.01 1.16 -0.03 0.00 -1.74 0.00 0.00 68.15 67.56 1vj6 h THR 84 CO -0.09 0.07 -1.93 0.18 0.37 0.00 0.00 175.52 174.13 1vj6 n LEU 85 N -4.12 2.52 -0.00 2.58 4.77 -0.83 -4.75 117.00 117.17 1vj6 n LEU 85 Ca -0.03 0.22 -0.11 0.00 -0.03 0.00 0.00 56.01 56.06 1vj6 n LEU 85 Cb 0.16 -1.07 -0.14 0.00 -2.33 0.00 0.00 43.42 40.04 1vj6 n LEU 85 CO 0.32 0.76 -0.49 0.08 -1.33 0.00 0.00 177.39 176.73 1vj6 h ARG 86 N -0.14 0.07 -1.54 3.23 -0.00 0.01 -3.33 114.38 112.68 1vj6 h ARG 86 Ca -0.43 -0.12 -0.29 0.00 -0.00 0.00 0.00 59.98 59.14 1vj6 h ARG 86 Cb 1.89 0.04 -0.13 0.00 -0.00 0.00 0.00 29.97 31.78 1vj6 h ARG 86 CO 0.01 0.72 0.37 0.09 -0.00 0.00 0.00 179.97 181.17 1vj6 n ASN 87 N -3.19 6.23 -4.90 0.08 3.02 -0.10 -4.88 115.26 111.53 1vj6 n ASN 87 Ca -0.18 -2.99 -0.21 0.00 -0.03 0.00 0.00 54.58 51.18 1vj6 n ASN 87 Cb 1.04 -1.05 -0.02 0.00 -0.61 0.00 0.00 39.78 39.14 1vj6 n ASN 87 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1vj6 s THR 88 N -2.05 2.63 0.00 3.41 -4.23 -1.25 -5.00 115.64 109.15 1vj6 s THR 88 Ca 0.28 -1.29 0.00 0.00 -1.18 0.00 0.00 61.69 59.50 1vj6 s THR 88 Cb 0.22 -2.92 0.00 0.00 1.34 0.00 0.00 72.50 71.14 1vj6 s THR 88 CO -0.00 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 1vj6 n GLY 89 N -1.63 -0.65 1.37 3.99 0.00 -1.26 -4.98 105.19 102.03 1vj6 n GLY 89 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 0.00 0.00 -2.53 1.61 7.27 -1.26 -5.02 117.38 117.45 1vj6 n GLN 90 Ca 0.00 0.00 -0.43 0.00 0.07 0.00 0.00 57.00 56.64 1vj6 n GLN 90 Cb 0.00 -0.25 -0.02 0.00 2.41 0.00 0.00 30.24 32.37 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 -1.88 4.46 -0.40 1.69 1.01 -1.26 -3.09 120.40 120.93 1vj6 s VAL 91 Ca 0.00 1.76 -0.06 0.00 0.00 0.00 0.00 61.98 63.68 1vj6 s VAL 91 Cb 0.00 -4.13 0.08 0.00 0.00 0.00 0.00 36.38 32.33 1vj6 s VAL 91 CO 0.00 -0.12 0.21 -0.69 0.00 0.00 0.00 175.10 174.50 1vj6 s VAL 92 N 3.11 3.79 -0.67 2.92 1.01 0.70 -4.93 120.40 126.33 1vj6 s VAL 92 Ca 0.51 -1.60 -0.23 0.00 0.00 0.00 0.00 61.98 60.66 1vj6 s VAL 92 Cb -0.19 -3.38 0.07 0.00 0.00 0.00 0.00 36.38 32.87 1vj6 s VAL 92 CO 0.13 -0.51 1.00 -2.28 0.00 0.00 0.00 175.10 173.44 1vj6 s HIS 93 N 1.32 2.63 -0.15 5.22 2.46 -1.26 -0.68 115.29 124.83 1vj6 s HIS 93 Ca 0.03 -0.50 -0.26 0.00 0.47 0.00 0.00 55.06 54.81 1vj6 s HIS 93 Cb -0.23 -4.33 -0.02 0.00 -0.13 0.00 0.00 32.58 27.87 1vj6 s HIS 93 CO -0.00 -1.70 0.84 -0.51 -2.47 0.00 0.00 174.74 170.90 1vj6 s LEU 94 N 4.25 4.20 -0.62 8.88 1.43 0.20 -0.28 118.68 136.75 1vj6 s LEU 94 Ca 0.24 1.22 -0.21 0.00 -1.03 0.00 0.00 54.13 54.35 1vj6 s LEU 94 Cb -0.16 -3.26 0.08 0.00 0.03 0.00 0.00 46.19 42.88 1vj6 s LEU 94 CO 0.11 -0.37 0.83 -0.22 0.23 0.00 0.00 176.35 176.92 1vj6 s LEU 95 N 1.98 4.86 -0.01 1.79 0.20 0.79 -0.99 118.68 127.31 1vj6 s LEU 95 Ca 0.40 -1.16 -0.03 0.00 0.69 0.00 0.00 54.13 54.03 1vj6 s LEU 95 Cb -0.17 -2.38 -0.04 0.00 -0.43 0.00 0.00 46.19 43.17 1vj6 s LEU 95 CO 0.14 -1.26 0.18 -0.76 -0.29 0.00 0.00 176.35 174.37 1vj6 s LEU 96 N 3.35 4.36 0.03 -0.68 1.43 -0.02 -0.83 118.68 126.32 1vj6 s LEU 96 Ca 0.17 0.34 0.07 0.00 -1.03 0.00 0.00 54.13 53.69 1vj6 s LEU 96 Cb -0.20 -2.63 -0.02 0.00 0.03 0.00 0.00 46.19 43.37 1vj6 s LEU 96 CO 0.09 0.26 -0.21 -0.70 0.23 0.00 0.00 176.35 176.01 1vj6 s GLU 97 N -1.96 1.48 0.09 1.70 2.12 0.43 -0.78 118.70 121.78 1vj6 s GLU 97 Ca 0.28 -0.93 -0.36 0.00 0.36 0.00 0.00 54.97 54.31 1vj6 s GLU 97 Cb -0.13 -1.57 -0.17 0.00 0.26 0.00 0.00 34.13 32.52 1vj6 s GLU 97 CO 0.19 0.41 1.31 0.36 -0.54 0.00 0.00 175.26 176.99 1vj6 n LYS 98 N 1.95 1.10 -1.83 4.30 0.00 -1.10 -1.12 118.16 121.46 1vj6 n LYS 98 Ca -0.17 0.40 -0.42 0.00 -0.00 0.00 0.00 58.31 58.12 1vj6 n LYS 98 Cb 0.53 -2.02 -0.01 0.00 -0.00 0.00 0.00 35.03 33.54 1vj6 n LYS 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1vj6 n GLY 99 N 2.42 3.80 3.46 2.58 0.00 -1.26 -4.60 105.19 111.60 1vj6 n GLY 99 Ca 0.18 -1.51 -0.12 0.00 0.00 0.00 0.00 46.02 44.57 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 3.67 1.10 0.11 1.61 0.74 -1.26 -4.89 119.66 120.74 1vj6 s GLN 100 Ca 0.50 -0.27 0.01 0.00 0.05 0.00 0.00 55.36 55.65 1vj6 s GLN 100 Cb 0.12 0.51 -0.04 0.00 1.10 0.00 0.00 33.01 34.70 1vj6 s GLN 100 CO -0.03 -0.45 0.26 0.54 -0.55 0.00 0.00 175.29 175.05 1vj6 s VAL 101 N -3.03 5.35 -2.00 1.34 0.11 -1.26 -5.01 120.40 115.90 1vj6 s VAL 101 Ca -0.00 -0.51 0.09 0.00 -2.93 0.00 0.00 61.98 58.62 1vj6 s VAL 101 Cb -0.01 -3.69 0.25 0.00 -1.53 0.00 0.00 36.38 31.41 1vj6 s VAL 101 CO -0.07 0.02 0.98 -2.65 -3.33 0.00 0.00 175.10 170.04