#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j6v n GLU 8 N 0.00 0.15 -3.12 5.55 1.02 -1.25 -0.92 120.64 122.07 1j6v n GLU 8 Ca 0.00 0.11 0.02 0.00 -0.02 0.00 0.00 57.16 57.28 1j6v n GLU 8 Cb 0.00 -1.67 -0.00 0.00 -0.02 0.00 0.00 31.44 29.75 1j6v n GLU 8 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1j6v s SER 9 N -3.84 -1.27 0.32 1.62 0.15 -1.26 -4.16 113.70 105.26 1j6v s SER 9 Ca 0.12 -0.35 -0.29 0.00 0.70 0.00 0.00 55.95 56.13 1j6v s SER 9 Cb 0.15 1.68 -0.12 0.00 -1.71 0.00 0.00 66.02 66.02 1j6v s SER 9 CO 0.58 -0.17 1.37 0.49 1.20 0.00 0.00 173.24 176.70 1j6v n PHE 10 N 4.63 2.39 -2.18 3.44 0.99 -0.17 -4.87 117.46 121.69 1j6v n PHE 10 Ca 0.08 0.49 -0.43 0.00 -0.00 0.00 0.00 57.45 57.59 1j6v n PHE 10 Cb 0.57 -2.46 0.00 0.00 -1.00 0.00 0.00 39.48 36.60 1j6v n PHE 10 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 1j6v n ASP 11 N 1.18 4.44 -4.76 4.37 2.03 -1.26 -4.98 116.55 117.58 1j6v n ASP 11 Ca 0.06 -2.89 -0.41 0.00 0.52 0.00 0.00 54.79 52.07 1j6v n ASP 11 Cb 0.35 -1.69 -0.02 0.00 -0.72 0.00 0.00 41.12 39.04 1j6v n ASP 11 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1j6v s LEU 12 N 2.97 4.40 -0.57 -2.67 2.96 -1.26 -1.33 118.68 123.17 1j6v s LEU 12 Ca 0.50 2.69 -0.21 0.00 -0.22 0.00 0.00 54.13 56.89 1j6v s LEU 12 Cb 0.09 -3.63 0.07 0.00 0.50 0.00 0.00 46.19 43.21 1j6v s LEU 12 CO -0.01 -0.65 0.77 -0.62 -1.32 0.00 0.00 176.35 174.52 1j6v s ASP 13 N 0.05 6.22 0.27 3.68 -1.08 0.51 -4.70 116.67 121.61 1j6v s ASP 13 Ca 0.55 -0.99 0.21 0.00 -0.52 0.00 0.00 52.55 51.81 1j6v s ASP 13 Cb -0.41 -2.34 1.01 0.00 -1.46 0.00 0.00 42.92 39.72 1j6v s ASP 13 CO 0.48 -1.12 1.65 1.41 0.52 0.00 0.00 175.17 178.11 1j6v n HIS 14 N 6.73 0.72 0.75 -5.34 8.25 -1.26 -2.34 115.22 122.73 1j6v n HIS 14 Ca -0.06 0.32 0.13 0.00 -0.26 0.00 0.00 57.72 57.86 1j6v n HIS 14 Cb 0.45 -1.02 0.34 0.00 1.12 0.00 0.00 29.99 30.88 1j6v n HIS 14 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1j6v n THR 15 N -2.19 0.29 1.00 1.59 -2.24 -1.26 -4.08 114.28 107.39 1j6v n THR 15 Ca 0.00 -0.17 0.11 0.00 -2.27 0.00 0.00 64.05 61.72 1j6v n THR 15 Cb 0.13 -0.26 -0.04 0.00 -2.10 0.00 0.00 70.33 68.05 1j6v n THR 15 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1j6v n LYS 16 N -1.92 0.72 -2.07 -0.78 5.02 -0.99 -4.99 118.16 113.15 1j6v n LYS 16 Ca 0.05 -0.60 -0.29 0.00 -2.02 0.00 0.00 58.31 55.45 1j6v n LYS 16 Cb 0.40 -1.49 0.03 0.00 -0.02 0.00 0.00 35.03 33.95 1j6v n LYS 16 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1j6v s VAL 17 N -2.69 3.84 -0.38 -0.18 -7.23 -1.26 -5.03 120.40 107.47 1j6v s VAL 17 Ca 0.14 0.41 0.02 0.00 -1.81 0.00 0.00 61.98 60.74 1j6v s VAL 17 Cb 0.17 -3.57 0.11 0.00 0.56 0.00 0.00 36.38 33.66 1j6v s VAL 17 CO 0.69 -0.69 0.15 -0.54 -0.31 0.00 0.00 175.10 174.39 1j6v s LYS 18 N -5.19 1.25 0.54 4.82 -0.14 -1.26 -4.96 119.74 114.80 1j6v s LYS 18 Ca 0.56 -1.76 -0.18 0.00 -1.36 0.00 0.00 55.97 53.23 1j6v s LYS 18 Cb -0.11 -2.60 -0.06 0.00 -1.68 0.00 0.00 37.83 33.38 1j6v s LYS 18 CO 0.50 -1.04 1.03 0.00 -0.76 0.00 0.00 175.35 175.08 1j6v s ALA 19 N 0.81 2.85 0.45 5.17 0.00 -1.26 -4.40 121.76 125.38 1j6v s ALA 19 Ca 0.13 0.43 -0.12 0.00 0.00 0.00 0.00 51.96 52.40 1j6v s ALA 19 Cb -0.21 -3.22 -0.07 0.00 0.00 0.00 0.00 23.12 19.63 1j6v s ALA 19 CO -0.10 -0.51 0.84 -1.25 0.00 0.00 0.00 175.76 174.74 1j6v s PRO 20 N -3.76 3.80 0.23 0.00 0.04 -1.26 -4.83 135.00 129.22 1j6v s PRO 20 Ca 0.64 0.59 -0.22 0.00 0.04 0.00 0.00 61.00 62.05 1j6v s PRO 20 Cb -0.15 -2.31 0.05 0.00 0.04 0.00 0.00 34.50 32.14 1j6v s PRO 20 CO 0.29 -0.13 0.89 1.52 0.04 0.00 0.00 177.00 179.61 1j6v s TYR 21 N -2.49 -0.07 -0.05 0.56 -0.85 -0.73 -3.79 117.35 109.92 1j6v s TYR 21 Ca 0.53 -0.34 0.06 0.00 -0.52 0.00 0.00 57.07 56.80 1j6v s TYR 21 Cb -0.10 0.70 -0.01 0.00 0.38 0.00 0.00 41.96 42.92 1j6v s TYR 21 CO 0.33 -1.06 -0.24 0.08 -1.52 0.00 0.00 175.55 173.13 1j6v s VAL 22 N -3.12 2.13 -0.09 -3.49 1.01 -0.88 -1.20 120.40 114.76 1j6v s VAL 22 Ca 0.14 -1.05 -0.06 0.00 0.00 0.00 0.00 61.98 61.01 1j6v s VAL 22 Cb -0.03 -1.77 0.04 0.00 0.00 0.00 0.00 36.38 34.61 1j6v s VAL 22 CO 0.05 0.57 0.23 -0.60 0.00 0.00 0.00 175.10 175.36 1j6v s ARG 23 N -0.27 0.22 -0.13 2.72 3.52 -0.47 -1.36 118.95 123.18 1j6v s ARG 23 Ca -0.00 0.44 -0.29 0.00 -0.13 0.00 0.00 55.73 55.74 1j6v s ARG 23 Cb -0.13 -0.03 -0.03 0.00 -1.56 0.00 0.00 34.95 33.20 1j6v s ARG 23 CO 0.03 -0.11 1.46 -1.17 -0.81 0.00 0.00 175.30 174.69 1j6v s LEU 24 N 0.81 4.20 0.01 -0.88 2.96 -1.26 -0.24 118.68 124.27 1j6v s LEU 24 Ca -0.06 1.89 0.22 0.00 -0.22 0.00 0.00 54.13 55.97 1j6v s LEU 24 Cb -0.07 -3.54 -0.12 0.00 0.50 0.00 0.00 46.19 42.97 1j6v s LEU 24 CO -0.05 -0.89 0.90 0.00 -1.32 0.00 0.00 176.35 175.00 1j6v n ALA 25 N 7.04 4.01 0.00 5.97 0.00 0.11 -4.89 120.51 132.75 1j6v n ALA 25 Ca 0.16 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1j6v n ALA 25 Cb 0.44 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 19.05 1j6v n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j6v n GLY 26 N 1.43 1.45 2.75 0.00 0.00 -1.21 -1.00 105.19 108.60 1j6v n GLY 26 Ca 0.02 -0.91 -0.16 0.00 0.00 0.00 0.00 46.02 44.97 1j6v n GLY 26 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j6v s VAL 27 N -2.00 -0.07 -0.13 1.61 1.01 -0.09 -1.50 120.40 119.22 1j6v s VAL 27 Ca 0.00 0.27 -0.00 0.00 0.00 0.00 0.00 61.98 62.25 1j6v s VAL 27 Cb 0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 36.38 36.27 1j6v s VAL 27 CO 0.00 0.11 -0.13 -0.75 0.00 0.00 0.00 175.10 174.33 1j6v s LYS 28 N 1.35 3.36 -0.10 2.72 2.20 -0.25 -3.91 119.74 125.11 1j6v s LYS 28 Ca -0.06 -0.70 -0.12 0.00 -0.36 0.00 0.00 55.97 54.73 1j6v s LYS 28 Cb -0.13 -2.62 -0.05 0.00 -1.51 0.00 0.00 37.83 33.52 1j6v s LYS 28 CO -0.03 0.19 0.29 0.95 -0.36 0.00 0.00 175.35 176.40 1j6v s THR 29 N 0.40 5.26 0.74 3.43 -4.23 -1.26 -0.14 115.64 119.85 1j6v s THR 29 Ca -0.11 0.56 -0.09 0.00 -1.18 0.00 0.00 61.69 60.88 1j6v s THR 29 Cb -0.16 -3.60 0.06 0.00 1.34 0.00 0.00 72.50 70.14 1j6v s THR 29 CO 0.05 0.51 1.09 0.42 -0.54 0.00 0.00 174.62 176.15 1j6v s THR 30 N -0.40 2.29 0.40 3.99 -4.23 0.28 -4.93 115.64 113.03 1j6v s THR 30 Ca 0.19 -0.10 0.09 0.00 -1.18 0.00 0.00 61.69 60.69 1j6v s THR 30 Cb -0.14 -3.05 0.30 0.00 1.34 0.00 0.00 72.50 70.95 1j6v s THR 30 CO 0.07 -0.06 1.99 -0.65 -0.54 0.00 0.00 174.62 175.44 1j6v h PRO 31 N -0.78 0.55 -0.19 3.99 0.11 -1.98 -1.28 132.00 132.42 1j6v h PRO 31 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1j6v h PRO 31 Cb 1.32 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1j6v h PRO 31 CO 0.63 0.37 0.00 1.63 -0.21 0.00 0.00 178.00 180.42 1j6v n LYS 32 N -4.48 1.67 -0.31 1.05 5.02 -1.26 -4.92 118.16 114.94 1j6v n LYS 32 Ca 0.08 -1.01 0.00 0.00 -2.02 0.00 0.00 58.31 55.36 1j6v n LYS 32 Cb 0.24 -1.34 0.00 0.00 -0.02 0.00 0.00 35.03 33.91 1j6v n LYS 32 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1j6v n GLY 33 N 1.06 0.85 3.91 0.72 0.00 -0.48 -5.08 105.19 106.16 1j6v n GLY 33 Ca 0.14 -0.01 -0.28 0.00 0.00 0.00 0.00 46.02 45.88 1j6v n GLY 33 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1j6v s ASP 34 N -2.01 5.72 -0.04 1.61 1.01 -1.26 -4.80 116.67 116.90 1j6v s ASP 34 Ca 0.00 0.86 0.06 0.00 0.71 0.00 0.00 52.55 54.18 1j6v s ASP 34 Cb 0.00 -1.88 -0.02 0.00 1.01 0.00 0.00 42.92 42.03 1j6v s ASP 34 CO 0.00 -1.01 -0.23 -1.10 0.21 0.00 0.00 175.17 173.04 1j6v s GLN 35 N -5.02 2.38 -0.30 8.23 -0.21 -1.26 -0.56 119.66 122.92 1j6v s GLN 35 Ca 0.54 -0.87 -0.05 0.00 0.02 0.00 0.00 55.36 55.00 1j6v s GLN 35 Cb -0.11 -2.17 0.03 0.00 1.00 0.00 0.00 33.01 31.77 1j6v s GLN 35 CO 0.47 0.50 0.04 0.42 -2.12 0.00 0.00 175.29 174.60 1j6v s ILE 36 N -0.45 3.47 -0.04 1.08 1.01 0.80 0.21 121.20 127.28 1j6v s ILE 36 Ca 0.05 -1.08 -0.14 0.00 0.00 0.00 0.00 60.65 59.48 1j6v s ILE 36 Cb -0.12 -2.90 -0.05 0.00 0.01 0.00 0.00 42.46 39.41 1j6v s ILE 36 CO 0.01 -0.04 0.38 -0.44 0.00 0.00 0.00 174.94 174.85 1j6v s SER 37 N 1.37 6.72 -0.11 3.58 0.01 0.81 -1.09 113.70 125.00 1j6v s SER 37 Ca -0.01 0.85 0.00 0.00 1.31 0.00 0.00 55.95 58.10 1j6v s SER 37 Cb -0.19 -2.23 -0.02 0.00 0.21 0.00 0.00 66.02 63.79 1j6v s SER 37 CO 0.01 0.27 -0.10 -0.54 0.41 0.00 0.00 173.24 173.28 1j6v s LYS 38 N -0.68 3.13 0.05 12.44 1.02 -0.57 0.22 119.74 135.34 1j6v s LYS 38 Ca 0.22 -0.63 0.07 0.00 0.02 0.00 0.00 55.97 55.66 1j6v s LYS 38 Cb -0.16 -2.62 -0.03 0.00 -0.52 0.00 0.00 37.83 34.50 1j6v s LYS 38 CO 0.11 0.40 -0.21 0.71 -0.92 0.00 0.00 175.35 175.44 1j6v s TYR 39 N -0.11 1.85 -0.38 3.18 2.02 -1.26 0.07 117.35 122.71 1j6v s TYR 39 Ca -0.00 -0.38 -0.11 0.00 -0.37 0.00 0.00 57.07 56.21 1j6v s TYR 39 Cb -0.13 -1.10 0.04 0.00 -0.40 0.00 0.00 41.96 40.36 1j6v s TYR 39 CO 0.03 0.10 0.21 0.34 -1.57 0.00 0.00 175.55 174.66 1j6v s ASP 40 N -1.20 5.71 -0.82 2.29 2.15 0.66 -4.45 116.67 121.01 1j6v s ASP 40 Ca 0.08 -1.10 -0.13 0.00 0.43 0.00 0.00 52.55 51.83 1j6v s ASP 40 Cb -0.09 -2.01 0.22 0.00 -0.30 0.00 0.00 42.92 40.73 1j6v s ASP 40 CO 0.02 -0.41 0.75 -0.76 -0.17 0.00 0.00 175.17 174.59 1j6v s LEU 41 N 1.53 6.61 -0.34 -1.34 1.43 -1.26 -1.37 118.68 123.93 1j6v s LEU 41 Ca 0.02 -2.75 -0.23 0.00 -1.03 0.00 0.00 54.13 50.15 1j6v s LEU 41 Cb -0.20 -2.18 0.00 0.00 0.03 0.00 0.00 46.19 43.85 1j6v s LEU 41 CO 0.06 -0.54 0.76 -0.60 0.23 0.00 0.00 176.35 176.25 1j6v s ARG 42 N 0.08 3.83 -0.15 1.70 6.06 -0.34 -4.43 118.95 125.69 1j6v s ARG 42 Ca 0.18 0.37 -0.20 0.00 -2.50 0.00 0.00 55.73 53.59 1j6v s ARG 42 Cb -0.11 -3.78 -0.18 0.00 0.06 0.00 0.00 34.95 30.95 1j6v s ARG 42 CO -0.08 -0.76 0.41 0.74 -2.50 0.00 0.00 175.30 173.10 1j6v h PHE 43 N 8.33 0.00 -2.36 5.12 0.05 -1.05 -1.94 116.94 125.09 1j6v h PHE 43 Ca -0.25 0.00 -0.53 0.00 3.82 0.00 0.00 57.97 61.01 1j6v h PHE 43 Cb 1.10 0.00 -0.06 0.00 2.00 0.00 0.00 35.95 38.99 1j6v h PHE 43 CO 0.78 0.86 -0.55 -0.51 -0.18 0.00 0.00 178.31 178.71 1j6v s LEU 44 N -8.19 3.75 0.06 1.54 1.43 0.14 -4.18 118.68 113.23 1j6v s LEU 44 Ca -0.18 -0.25 -0.31 0.00 -1.03 0.00 0.00 54.13 52.37 1j6v s LEU 44 Cb 0.00 -2.31 -0.07 0.00 0.03 0.00 0.00 46.19 43.85 1j6v s LEU 44 CO 0.50 -0.00 1.38 -1.58 0.23 0.00 0.00 176.35 176.88 1j6v s GLN 45 N -3.59 4.32 0.02 1.70 2.00 -1.26 -4.79 119.66 118.05 1j6v s GLN 45 Ca 0.32 1.99 -0.38 0.00 -2.00 0.00 0.00 55.36 55.29 1j6v s GLN 45 Cb -0.08 -3.41 -0.17 0.00 0.80 0.00 0.00 33.01 30.14 1j6v s GLN 45 CO 0.24 -0.48 1.33 -2.30 -0.50 0.00 0.00 175.29 173.57 1j6v n PRO 46 N 4.62 0.88 -1.41 1.67 -0.02 -1.26 -1.80 135.00 137.67 1j6v n PRO 46 Ca 0.12 0.32 -0.14 0.00 -2.02 0.00 0.00 63.50 61.77 1j6v n PRO 46 Cb 0.43 -1.93 -0.06 0.00 -0.02 0.00 0.00 33.50 31.92 1j6v n PRO 46 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1j6v n ASN 47 N 2.60 -4.88 -0.51 2.55 3.02 -1.26 -4.84 115.26 111.94 1j6v n ASN 47 Ca 0.20 0.35 0.05 0.00 -0.03 0.00 0.00 54.58 55.15 1j6v n ASN 47 Cb 0.16 -3.64 0.13 0.00 -0.61 0.00 0.00 39.78 35.82 1j6v n ASN 47 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1j6v n GLN 48 N -2.37 2.84 0.00 3.52 1.13 -0.74 -5.06 117.38 116.69 1j6v n GLN 48 Ca -0.14 -2.06 0.00 0.00 -1.94 0.00 0.00 57.00 52.86 1j6v n GLN 48 Cb 0.50 -1.30 0.00 0.00 0.11 0.00 0.00 30.24 29.55 1j6v n GLN 48 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1j6v n GLY 49 N 0.07 3.22 3.14 1.08 0.00 -1.26 -4.96 105.19 106.47 1j6v n GLY 49 Ca 0.10 -1.76 -0.09 0.00 0.00 0.00 0.00 46.02 44.27 1j6v n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j6v s ALA 50 N -2.01 0.80 0.15 4.61 0.00 -1.26 -4.79 121.76 119.27 1j6v s ALA 50 Ca 0.00 -1.38 -0.23 0.00 0.00 0.00 0.00 51.96 50.35 1j6v s ALA 50 Cb 0.00 0.57 -0.08 0.00 0.00 0.00 0.00 23.12 23.62 1j6v s ALA 50 CO 0.00 -0.41 0.72 0.42 0.00 0.00 0.00 175.76 176.49 1j6v s ILE 51 N -3.93 4.49 0.55 0.00 1.01 0.07 -5.03 121.20 118.36 1j6v s ILE 51 Ca 0.17 1.53 -0.21 0.00 0.00 0.00 0.00 60.65 62.14 1j6v s ILE 51 Cb 0.07 -4.04 -0.05 0.00 0.01 0.00 0.00 42.46 38.46 1j6v s ILE 51 CO -0.03 0.49 1.31 -1.81 0.00 0.00 0.00 174.94 174.91 1j6v s ASP 52 N -1.20 5.31 0.24 3.58 1.11 -1.26 -4.78 116.67 119.66 1j6v s ASP 52 Ca 0.35 2.65 -0.05 0.00 0.18 0.00 0.00 52.55 55.68 1j6v s ASP 52 Cb -0.21 -2.63 0.40 0.00 1.07 0.00 0.00 42.92 41.55 1j6v s ASP 52 CO 0.24 -1.53 1.77 -0.65 1.18 0.00 0.00 175.17 176.17 1j6v h PRO 53 N 1.39 0.56 -0.23 8.23 0.11 -1.98 -1.06 132.00 139.01 1j6v h PRO 53 Ca -0.51 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.57 1j6v h PRO 53 Cb 1.30 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 1j6v h PRO 53 CO 0.57 0.37 0.14 0.00 -0.21 0.00 0.00 178.00 178.87 1j6v h ALA 54 N 1.48 0.30 -0.69 -0.75 0.00 -1.92 -1.61 119.26 116.07 1j6v h ALA 54 Ca 0.38 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.21 1j6v h ALA 54 Cb 0.47 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1j6v h ALA 54 CO -0.31 -0.20 0.27 0.00 0.00 0.00 0.00 179.25 179.01 1j6v h ALA 55 N 1.04 0.90 -0.06 0.00 0.00 -1.66 -1.69 119.26 117.78 1j6v h ALA 55 Ca 0.08 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.70 1j6v h ALA 55 Cb 0.02 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1j6v h ALA 55 CO -0.02 0.53 -0.47 0.97 0.00 0.00 0.00 179.25 180.26 1j6v h ILE 56 N 0.99 1.34 -0.32 0.00 2.10 -1.06 -0.70 117.51 119.85 1j6v h ILE 56 Ca 0.23 -1.65 -0.01 0.00 1.08 0.00 0.00 64.86 64.50 1j6v h ILE 56 Cb 0.22 1.81 -0.01 0.00 -1.09 0.00 0.00 36.82 37.75 1j6v h ILE 56 CO -0.02 0.49 0.15 -0.74 -1.08 0.00 0.00 178.15 176.95 1j6v h HIS 57 N 0.13 0.47 -0.56 2.19 2.76 -0.93 -0.32 115.15 118.88 1j6v h HIS 57 Ca 0.01 -0.03 -0.07 0.00 -2.20 0.00 0.00 60.37 58.08 1j6v h HIS 57 Cb 0.88 -0.14 -0.02 0.00 1.55 0.00 0.00 27.41 29.68 1j6v h HIS 57 CO 0.01 0.42 0.07 1.15 -1.30 0.00 0.00 177.93 178.28 1j6v h THR 58 N 0.38 1.26 -0.63 6.26 2.02 -1.04 -2.04 112.91 119.12 1j6v h THR 58 Ca 0.11 -1.00 0.02 0.00 0.77 0.00 0.00 66.41 66.31 1j6v h THR 58 Cb 0.13 0.82 -0.03 0.00 -1.74 0.00 0.00 68.15 67.32 1j6v h THR 58 CO -0.01 0.36 0.42 -0.07 0.37 0.00 0.00 175.52 176.59 1j6v h LEU 59 N 0.83 0.69 -0.30 2.58 3.38 -0.87 -0.54 115.31 121.07 1j6v h LEU 59 Ca 0.17 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 1j6v h LEU 59 Cb 0.44 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1j6v h LEU 59 CO 0.01 0.48 0.13 -0.08 0.09 0.00 0.00 178.44 179.08 1j6v h GLU 60 N 0.80 0.44 -0.80 1.13 4.81 -0.55 -0.18 114.58 120.24 1j6v h GLU 60 Ca 0.24 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.37 1j6v h GLU 60 Cb -0.01 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.25 1j6v h GLU 60 CO -0.06 0.45 0.41 0.45 -0.73 0.00 0.00 179.01 179.53 1j6v h HIS 61 N 0.34 1.12 -0.00 0.92 3.86 -0.58 -2.27 115.15 118.53 1j6v h HIS 61 Ca 0.10 -0.04 -0.13 0.00 -1.16 0.00 0.00 60.37 59.14 1j6v h HIS 61 Cb 0.16 -0.35 0.01 0.00 1.06 0.00 0.00 27.41 28.29 1j6v h HIS 61 CO -0.01 0.79 -0.52 -0.07 0.86 0.00 0.00 177.93 178.98 1j6v h LEU 62 N 1.11 0.46 -0.91 2.43 3.38 -0.96 -3.33 115.31 117.49 1j6v h LEU 62 Ca 0.28 -0.77 -0.11 0.00 0.09 0.00 0.00 57.88 57.37 1j6v h LEU 62 Cb 0.07 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1j6v h LEU 62 CO -0.04 1.17 -0.53 -0.07 0.09 0.00 0.00 178.44 179.05 1j6v h LEU 63 N -0.20 0.00 -0.85 1.67 3.38 -1.09 -1.09 115.31 117.14 1j6v h LEU 63 Ca -0.07 0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.07 1j6v h LEU 63 Cb 1.24 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.89 1j6v h LEU 63 CO 0.10 0.53 0.41 0.00 0.09 0.00 0.00 178.44 179.58 1j6v h ALA 64 N 1.47 1.29 0.07 1.53 0.00 -1.52 -2.94 119.26 119.17 1j6v h ALA 64 Ca -0.01 0.11 -0.25 0.00 0.00 0.00 0.00 54.91 54.76 1j6v h ALA 64 Cb 0.96 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1j6v h ALA 64 CO 0.07 -0.16 -1.31 0.78 0.00 0.00 0.00 179.25 178.63 1j6v h GLY 65 N 0.55 0.18 -2.65 0.00 0.00 -1.66 -3.32 103.07 96.17 1j6v h GLY 65 Ca 0.48 -0.46 0.00 0.00 0.00 0.00 0.00 47.33 47.35 1j6v h GLY 65 CO -0.41 0.40 0.00 -1.72 0.00 0.00 0.00 176.54 174.82 1j6v n TYR 66 N -4.08 0.00 0.00 5.60 0.53 -0.43 -2.01 117.16 116.78 1j6v n TYR 66 Ca -0.26 -0.18 0.00 0.00 -1.02 0.00 0.00 57.90 56.44 1j6v n TYR 66 Cb 0.82 -0.21 0.00 0.00 -1.03 0.00 0.00 39.34 38.92 1j6v n TYR 66 CO 0.00 0.00 0.00 0.54 -1.02 0.00 0.00 176.86 176.38 1j6v n ARG 68 N 1.24 0.00 0.23 -0.72 1.74 -1.25 -3.09 116.66 114.81 1j6v n ARG 68 Ca 0.00 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.20 1j6v n ARG 68 Cb 0.13 0.00 0.44 0.00 -1.02 0.00 0.00 32.46 32.01 1j6v n ARG 68 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 1j6v h ASP 69 N 0.00 0.00 -0.00 0.55 3.32 -1.74 -3.31 116.42 115.24 1j6v h ASP 69 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1j6v h ASP 69 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1j6v h ASP 69 CO 0.00 0.13 -0.12 1.41 -1.72 0.00 0.00 179.24 178.94 1j6v n HIS 70 N -3.22 0.00 -3.76 4.55 8.25 -1.18 -5.02 115.22 114.85 1j6v n HIS 70 Ca 0.01 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.34 1j6v n HIS 70 Cb 0.44 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.41 1j6v n HIS 70 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1j6v s LEU 71 N -1.55 0.79 0.42 2.41 2.96 -1.25 -4.75 118.68 117.72 1j6v s LEU 71 Ca 0.03 0.32 -0.08 0.00 -0.22 0.00 0.00 54.13 54.18 1j6v s LEU 71 Cb 0.03 0.42 -0.05 0.00 0.50 0.00 0.00 46.19 47.09 1j6v s LEU 71 CO 0.12 -0.14 0.76 -1.61 -1.32 0.00 0.00 176.35 174.16 1j6v s GLU 72 N 1.03 3.67 -0.21 1.98 2.02 -1.26 -4.31 118.70 121.62 1j6v s GLU 72 Ca -0.08 0.31 0.00 0.00 0.02 0.00 0.00 54.97 55.23 1j6v s GLU 72 Cb -0.10 -2.41 0.00 0.00 0.10 0.00 0.00 34.13 31.72 1j6v s GLU 72 CO -0.05 -0.08 0.00 0.41 0.02 0.00 0.00 175.26 175.55 1j6v n GLY 73 N -1.66 0.51 3.70 -1.39 0.00 -1.26 -4.76 105.19 100.33 1j6v n GLY 73 Ca 0.01 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 1j6v n GLY 73 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j6v s VAL 74 N -1.85 2.98 -0.15 1.61 1.01 -1.26 0.01 120.40 122.75 1j6v s VAL 74 Ca 0.00 0.59 -0.20 0.00 0.00 0.00 0.00 61.98 62.37 1j6v s VAL 74 Cb 0.00 -3.38 -0.17 0.00 0.00 0.00 0.00 36.38 32.83 1j6v s VAL 74 CO 0.00 0.02 0.40 0.58 0.00 0.00 0.00 175.10 176.10 1j6v h VAL 75 N 4.45 1.07 -1.76 2.92 2.07 -0.87 -3.47 116.25 120.66 1j6v h VAL 75 Ca -0.42 -1.93 0.15 0.00 0.82 0.00 0.00 66.70 65.32 1j6v h VAL 75 Cb 1.20 2.15 -0.20 0.00 -1.52 0.00 0.00 31.29 32.92 1j6v h VAL 75 CO 0.91 0.36 0.62 1.51 0.02 0.00 0.00 177.57 181.00 1j6v s ASP 76 N -6.21 -0.29 -0.19 0.57 1.47 -1.22 -5.01 116.67 105.80 1j6v s ASP 76 Ca -0.18 0.13 0.01 0.00 1.18 0.00 0.00 52.55 53.70 1j6v s ASP 76 Cb 0.00 0.27 0.02 0.00 -0.34 0.00 0.00 42.92 42.88 1j6v s ASP 76 CO 0.49 -0.39 -0.18 -0.69 0.68 0.00 0.00 175.17 175.08 1j6v s VAL 77 N -2.14 2.01 0.09 2.11 1.01 -1.26 -2.68 120.40 119.54 1j6v s VAL 77 Ca 0.04 -0.98 0.07 0.00 0.00 0.00 0.00 61.98 61.11 1j6v s VAL 77 Cb -0.01 -1.86 -0.03 0.00 0.00 0.00 0.00 36.38 34.48 1j6v s VAL 77 CO -0.04 0.46 -0.19 -0.44 0.00 0.00 0.00 175.10 174.89 1j6v s SER 78 N 1.29 2.27 0.00 3.32 0.01 0.12 -4.85 113.70 115.87 1j6v s SER 78 Ca 0.03 -0.66 0.00 0.00 1.31 0.00 0.00 55.95 56.64 1j6v s SER 78 Cb -0.14 -0.11 0.00 0.00 0.21 0.00 0.00 66.02 65.98 1j6v s SER 78 CO -0.12 0.02 0.00 -0.81 0.41 0.00 0.00 173.24 172.74 1j6v n PRO 79 N 1.17 3.56 -0.07 12.44 -0.04 -1.26 0.13 135.00 150.93 1j6v n PRO 79 Ca -0.20 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.21 1j6v n PRO 79 Cb 0.54 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.86 1j6v n PRO 79 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1j6v n GLY 81 N 3.80 -0.84 0.00 0.55 0.00 -1.26 -4.71 105.19 102.73 1j6v n GLY 81 Ca 0.00 -0.32 0.12 0.00 0.00 0.00 0.00 46.02 45.82 1j6v n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j6v n ARG 83 N -1.49 -1.78 0.00 0.00 1.74 -1.26 -4.81 116.66 109.06 1j6v n ARG 83 Ca 0.06 0.92 0.08 0.00 -0.77 0.00 0.00 57.85 58.14 1j6v n ARG 83 Cb 0.28 -5.52 0.03 0.00 -1.02 0.00 0.00 32.46 26.23 1j6v n ARG 83 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1j6v n THR 84 N -3.57 0.00 0.00 0.55 -2.24 -1.26 -0.75 114.28 107.01 1j6v n THR 84 Ca -0.21 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.15 1j6v n THR 84 Cb 0.65 1.26 0.00 0.00 -2.10 0.00 0.00 70.33 70.14 1j6v n THR 84 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1j6v n GLY 85 N 1.02 0.77 3.72 3.38 0.00 -1.26 -0.44 105.19 112.38 1j6v n GLY 85 Ca 0.08 0.30 -0.10 0.00 0.00 0.00 0.00 46.02 46.30 1j6v n GLY 85 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1j6v s TYR 87 N 1.86 0.35 -0.17 1.61 6.14 0.35 -4.68 117.35 122.81 1j6v s TYR 87 Ca 0.00 -0.89 -0.13 0.00 0.64 0.00 0.00 57.07 56.68 1j6v s TYR 87 Cb 0.00 0.58 0.05 0.00 0.42 0.00 0.00 41.96 43.00 1j6v s TYR 87 CO 0.00 -1.43 0.43 0.00 0.64 0.00 0.00 175.55 175.20 1j6v s ALA 89 N -2.65 -1.08 -0.03 3.97 0.00 -1.09 0.15 121.76 121.03 1j6v s ALA 89 Ca 0.19 1.34 0.03 0.00 0.00 0.00 0.00 51.96 53.52 1j6v s ALA 89 Cb -0.04 -0.79 0.00 0.00 0.00 0.00 0.00 23.12 22.29 1j6v s ALA 89 CO 0.13 -0.23 -0.11 0.08 0.00 0.00 0.00 175.76 175.64 1j6v s VAL 90 N 0.60 0.92 -0.36 0.00 1.01 0.13 -0.10 120.40 122.60 1j6v s VAL 90 Ca -0.03 -0.43 -0.29 0.00 0.00 0.00 0.00 61.98 61.23 1j6v s VAL 90 Cb -0.05 -0.81 0.02 0.00 0.00 0.00 0.00 36.38 35.54 1j6v s VAL 90 CO -0.04 0.28 1.10 -0.63 0.00 0.00 0.00 175.10 175.82 1j6v s ILE 91 N 0.19 4.41 0.00 2.22 1.01 0.10 -0.13 121.20 129.00 1j6v s ILE 91 Ca -0.04 1.58 0.00 0.00 0.00 0.00 0.00 60.65 62.19 1j6v s ILE 91 Cb -0.09 -4.46 0.00 0.00 0.01 0.00 0.00 42.46 37.92 1j6v s ILE 91 CO 0.01 -0.62 0.00 0.61 0.00 0.00 0.00 174.94 174.93 1j6v n GLY 92 N 4.15 3.48 3.75 6.18 0.00 0.13 -4.67 105.19 118.21 1j6v n GLY 92 Ca 0.12 -1.24 -0.32 0.00 0.00 0.00 0.00 46.02 44.59 1j6v n GLY 92 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1j6v s GLU 93 N -2.36 2.16 0.27 1.61 1.03 -1.26 -3.55 118.70 116.60 1j6v s GLU 93 Ca 0.00 1.32 -0.30 0.00 0.03 0.00 0.00 54.97 56.03 1j6v s GLU 93 Cb 0.00 -1.88 -0.13 0.00 -0.80 0.00 0.00 34.13 31.32 1j6v s GLU 93 CO 0.00 -1.74 1.26 -2.30 -1.33 0.00 0.00 175.26 171.15 1j6v n PRO 94 N -3.35 1.82 -2.84 -4.83 -0.02 -1.26 -4.92 135.00 119.61 1j6v n PRO 94 Ca 0.10 0.64 -0.11 0.00 -2.02 0.00 0.00 63.50 62.12 1j6v n PRO 94 Cb 0.52 -2.20 0.02 0.00 -0.02 0.00 0.00 33.50 31.83 1j6v n PRO 94 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1j6v n ASP 95 N 1.51 -2.41 -0.30 2.55 2.03 -1.26 -5.02 116.55 113.64 1j6v n ASP 95 Ca 0.09 -3.15 0.03 0.00 0.52 0.00 0.00 54.79 52.28 1j6v n ASP 95 Cb 0.32 1.37 0.22 0.00 -0.72 0.00 0.00 41.12 42.32 1j6v n ASP 95 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1j6v h GLU 96 N 4.15 1.05 -0.14 -0.67 5.08 -1.99 -1.16 114.58 120.90 1j6v h GLU 96 Ca -0.08 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.21 1j6v h GLU 96 Cb 1.01 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 1j6v h GLU 96 CO 0.32 0.69 0.06 0.37 -1.00 0.00 0.00 179.01 179.45 1j6v h GLN 97 N 1.08 0.21 -0.48 2.33 5.75 -1.98 -2.96 115.11 119.06 1j6v h GLN 97 Ca 0.37 -0.04 -0.07 0.00 -0.15 0.00 0.00 58.65 58.76 1j6v h GLN 97 Cb 0.10 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.60 1j6v h GLN 97 CO -0.13 0.30 -0.00 0.78 -2.65 0.00 0.00 178.83 177.13 1j6v h GLY 98 N 0.08 0.86 -2.11 2.39 0.00 -1.90 -1.91 103.07 100.48 1j6v h GLY 98 Ca 0.05 -0.58 0.00 0.00 0.00 0.00 0.00 47.33 46.80 1j6v h GLY 98 CO -0.00 0.53 0.00 -0.62 0.00 0.00 0.00 176.54 176.45 1j6v n VAL 99 N -4.21 0.48 0.00 4.60 0.31 -0.47 -1.73 118.33 117.30 1j6v n VAL 99 Ca 0.03 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 1j6v n VAL 99 Cb 0.30 -0.76 0.00 0.00 -0.91 0.00 0.00 33.84 32.47 1j6v n VAL 99 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1j6v n LYS 101 N 0.84 0.00 -0.02 5.55 4.76 -0.72 -0.60 118.16 127.97 1j6v n LYS 101 Ca 0.00 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.32 1j6v n LYS 101 Cb 0.22 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.35 1j6v n LYS 101 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1j6v h ALA 102 N 0.00 0.13 -0.55 7.82 0.00 -1.61 -1.79 119.26 123.27 1j6v h ALA 102 Ca 0.00 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.82 1j6v h ALA 102 Cb 0.00 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 1j6v h ALA 102 CO 0.00 -0.24 0.30 0.35 0.00 0.00 0.00 179.25 179.66 1j6v h PHE 103 N -0.05 0.55 -0.65 0.00 3.57 -1.12 0.17 116.94 119.40 1j6v h PHE 103 Ca 0.03 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.56 1j6v h PHE 103 Cb 0.26 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.80 1j6v h PHE 103 CO 0.01 0.28 0.43 1.49 -2.23 0.00 0.00 178.31 178.28 1j6v h GLU 104 N 0.57 0.84 -0.54 1.11 4.81 -1.76 -0.04 114.58 119.57 1j6v h GLU 104 Ca 0.24 -0.05 -0.12 0.00 -0.13 0.00 0.00 59.36 59.30 1j6v h GLU 104 Cb 0.12 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 1j6v h GLU 104 CO -0.15 0.56 -0.11 0.00 -0.73 0.00 0.00 179.01 178.57 1j6v h ALA 105 N 1.25 0.76 -0.35 2.92 0.00 -0.69 -2.42 119.26 120.73 1j6v h ALA 105 Ca 0.24 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 1j6v h ALA 105 Cb -0.07 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1j6v h ALA 105 CO -0.06 0.68 -0.07 0.00 0.00 0.00 0.00 179.25 179.79 1j6v h ALA 106 N 0.93 1.23 -0.08 0.00 0.00 -0.23 -2.42 119.26 118.69 1j6v h ALA 106 Ca 0.14 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 1j6v h ALA 106 Cb 0.69 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1j6v h ALA 106 CO 0.05 0.50 -0.47 -0.07 0.00 0.00 0.00 179.25 179.26 1j6v h LEU 107 N 0.54 0.22 -0.67 0.00 3.38 -0.77 -0.79 115.31 117.21 1j6v h LEU 107 Ca 0.11 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 1j6v h LEU 107 Cb 0.45 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1j6v h LEU 107 CO 0.02 0.66 -0.20 0.11 0.09 0.00 0.00 178.44 179.12 1j6v h LYS 108 N 0.17 0.82 -0.61 1.13 1.57 -1.10 0.23 116.57 118.78 1j6v h LYS 108 Ca 0.01 -0.32 -0.08 0.00 -1.87 0.00 0.00 60.65 58.39 1j6v h LYS 108 Cb 0.89 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.14 1j6v h LYS 108 CO 0.07 0.95 0.07 -0.44 -0.57 0.00 0.00 179.45 179.53 1j6v h ASP 109 N 0.72 0.99 -0.11 0.86 3.45 -1.03 -1.79 116.42 119.52 1j6v h ASP 109 Ca 0.10 -0.28 -0.03 0.00 0.43 0.00 0.00 57.03 57.26 1j6v h ASP 109 Cb 0.72 -0.26 -0.00 0.00 -0.56 0.00 0.00 39.33 39.22 1j6v h ASP 109 CO 0.06 1.02 -0.04 0.74 -1.57 0.00 0.00 179.24 179.44 1j6v h THR 110 N 0.93 1.31 -0.91 0.35 2.02 -0.79 -2.19 112.91 113.62 1j6v h THR 110 Ca 0.18 -1.04 0.05 0.00 0.77 0.00 0.00 66.41 66.38 1j6v h THR 110 Cb 0.47 1.77 -0.06 0.00 -1.74 0.00 0.00 68.15 68.59 1j6v h THR 110 CO 0.02 0.30 0.60 0.00 0.37 0.00 0.00 175.52 176.80 1j6v h ALA 111 N 0.66 1.47 -0.35 6.16 0.00 -0.50 -1.51 119.26 125.19 1j6v h ALA 111 Ca 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1j6v h ALA 111 Cb 0.49 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1j6v h ALA 111 CO 0.01 0.41 0.00 0.41 0.00 0.00 0.00 179.25 180.08 1j6v n GLY 112 N -1.39 2.06 3.49 0.00 0.00 -0.68 -4.85 105.19 103.82 1j6v n GLY 112 Ca 0.13 -0.52 -0.42 0.00 0.00 0.00 0.00 46.02 45.21 1j6v n GLY 112 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1j6v s HIS 113 N -1.89 2.60 -0.20 1.61 2.46 -0.57 -4.82 115.29 114.48 1j6v s HIS 113 Ca 0.31 -0.53 0.16 0.00 0.47 0.00 0.00 55.06 55.46 1j6v s HIS 113 Cb 0.22 -4.43 0.55 0.00 -0.13 0.00 0.00 32.58 28.79 1j6v s HIS 113 CO 0.11 -1.78 1.45 -0.40 -2.47 0.00 0.00 174.74 171.65 1j6v n ASP 114 N 8.17 3.84 -4.91 9.88 5.68 -1.26 -4.98 116.55 132.97 1j6v n ASP 114 Ca 0.05 -3.10 -0.21 0.00 -0.50 0.00 0.00 54.79 51.02 1j6v n ASP 114 Cb 0.47 -0.57 -0.01 0.00 -1.14 0.00 0.00 41.12 39.87 1j6v n ASP 114 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 1j6v s GLN 115 N -2.88 2.50 0.74 0.11 -0.21 -1.26 -5.08 119.66 113.58 1j6v s GLN 115 Ca 0.43 -1.59 -0.16 0.00 0.02 0.00 0.00 55.36 54.07 1j6v s GLN 115 Cb 0.36 -2.40 0.01 0.00 1.00 0.00 0.00 33.01 31.98 1j6v s GLN 115 CO 0.08 -0.33 0.93 -2.30 -2.12 0.00 0.00 175.29 171.56 1j6v n PRO 116 N -1.67 0.43 -2.20 2.91 -0.02 -1.26 -4.89 135.00 128.29 1j6v n PRO 116 Ca 0.04 0.20 -0.42 0.00 -2.02 0.00 0.00 63.50 61.31 1j6v n PRO 116 Cb 0.62 -2.19 -0.03 0.00 -0.02 0.00 0.00 33.50 31.88 1j6v n PRO 116 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1j6v s ILE 117 N -1.88 3.34 0.46 4.25 1.01 -1.26 -4.96 121.20 122.17 1j6v s ILE 117 Ca 0.72 0.99 -0.23 0.00 0.00 0.00 0.00 60.65 62.13 1j6v s ILE 117 Cb -0.34 -3.64 -0.07 0.00 0.01 0.00 0.00 42.46 38.43 1j6v s ILE 117 CO 0.52 0.09 1.21 -2.16 0.00 0.00 0.00 174.94 174.60 1j6v s PRO 118 N 0.80 3.71 -1.46 2.79 0.04 -1.26 -3.72 135.00 135.91 1j6v s PRO 118 Ca 0.62 1.89 -0.00 0.00 0.04 0.00 0.00 61.00 63.55 1j6v s PRO 118 Cb -0.36 -2.45 0.00 0.00 0.04 0.00 0.00 34.50 31.73 1j6v s PRO 118 CO 0.32 -0.62 0.06 0.41 0.04 0.00 0.00 177.00 177.21 1j6v n GLY 119 N 0.53 -0.34 3.31 0.56 0.00 -1.26 -4.92 105.19 103.08 1j6v n GLY 119 Ca 0.07 -0.14 -0.46 0.00 0.00 0.00 0.00 46.02 45.49 1j6v n GLY 119 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j6v s VAL 120 N -2.89 5.22 0.02 1.61 1.01 -1.24 -3.86 120.40 120.26 1j6v s VAL 120 Ca 0.03 -1.52 -0.29 0.00 0.00 0.00 0.00 61.98 60.20 1j6v s VAL 120 Cb -0.01 -4.35 0.10 0.00 0.00 0.00 0.00 36.38 32.12 1j6v s VAL 120 CO 0.04 -0.88 1.10 -0.94 0.00 0.00 0.00 175.10 174.42 1j6v s SER 121 N 3.56 -0.16 0.59 3.32 1.04 -1.26 -4.99 113.70 115.80 1j6v s SER 121 Ca 0.04 -0.18 0.37 0.00 0.48 0.00 0.00 55.95 56.66 1j6v s SER 121 Cb -0.29 0.31 1.79 0.00 0.10 0.00 0.00 66.02 67.92 1j6v s SER 121 CO 0.03 -0.55 2.14 1.05 0.98 0.00 0.00 173.24 176.89 1j6v h GLU 122 N 2.00 0.00 0.21 4.02 4.11 -1.94 -0.14 114.58 122.83 1j6v h GLU 122 Ca -0.24 0.00 -0.31 0.00 0.07 0.00 0.00 59.36 58.88 1j6v h GLU 122 Cb 1.21 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.49 1j6v h GLU 122 CO 0.27 0.01 -1.44 -0.07 0.07 0.00 0.00 179.01 177.85 1j6v h LEU 123 N 0.00 0.68 -0.27 3.06 3.38 -1.95 -3.40 115.31 116.82 1j6v h LEU 123 Ca -0.00 -0.92 0.00 0.00 0.09 0.00 0.00 57.88 57.05 1j6v h LEU 123 Cb 0.30 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1j6v h LEU 123 CO 0.00 1.68 -0.71 -0.62 0.09 0.00 0.00 178.44 178.88 1j6v n GLU 124 N -3.77 1.23 -4.36 1.13 1.02 -1.13 -4.99 120.64 109.77 1j6v n GLU 124 Ca -0.19 -0.25 -0.19 0.00 -0.02 0.00 0.00 57.16 56.50 1j6v n GLU 124 Cb 1.03 -1.34 -0.15 0.00 -0.02 0.00 0.00 31.44 30.96 1j6v n GLU 124 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1j6v n GLY 126 N 3.06 -1.20 2.67 0.00 0.00 -1.26 -4.01 105.19 104.45 1j6v n GLY 126 Ca -0.16 -0.10 -0.10 0.00 0.00 0.00 0.00 46.02 45.67 1j6v n GLY 126 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1j6v n ASN 127 N -1.40 -1.94 0.26 1.61 5.15 -1.26 -5.01 115.26 112.67 1j6v n ASN 127 Ca 0.08 -3.48 0.17 0.00 -0.60 0.00 0.00 54.58 50.75 1j6v n ASN 127 Cb 0.24 1.55 0.83 0.00 -0.53 0.00 0.00 39.78 41.87 1j6v n ASN 127 CO 0.00 0.00 0.00 0.10 1.40 0.00 0.00 177.26 178.76 1j6v h TYR 128 N 2.88 0.00 0.00 1.20 -0.00 -1.83 -0.30 116.97 118.92 1j6v h TYR 128 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.63 1j6v h TYR 128 Cb 1.11 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.84 1j6v h TYR 128 CO 0.32 0.00 -0.14 0.54 -0.00 0.00 0.00 178.16 178.88 1j6v n ARG 129 N -3.20 0.01 -3.34 0.10 1.74 -1.26 -4.50 116.66 106.21 1j6v n ARG 129 Ca 0.01 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.69 1j6v n ARG 129 Cb 0.41 -1.51 -0.02 0.00 -1.02 0.00 0.00 32.46 30.32 1j6v n ARG 129 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1j6v n ASP 130 N -1.52 5.21 -4.11 0.55 2.03 -0.13 -5.01 116.55 113.58 1j6v n ASP 130 Ca 0.07 -3.23 -0.11 0.00 0.52 0.00 0.00 54.79 52.04 1j6v n ASP 130 Cb 0.34 -1.17 -0.11 0.00 -0.72 0.00 0.00 41.12 39.46 1j6v n ASP 130 CO 0.00 0.00 0.00 -1.00 -1.92 0.00 0.00 177.20 174.28 1j6v s HIS 131 N -1.91 0.75 -0.42 -0.67 3.76 -1.26 -4.52 115.29 111.02 1j6v s HIS 131 Ca 0.31 -0.71 0.06 0.00 -0.15 0.00 0.00 55.06 54.56 1j6v s HIS 131 Cb -0.02 -0.44 0.17 0.00 1.11 0.00 0.00 32.58 33.40 1j6v s HIS 131 CO -0.03 -0.13 0.53 0.34 -0.85 0.00 0.00 174.74 174.59 1j6v s ASP 132 N -2.29 -0.23 0.07 1.40 -1.08 -1.22 -4.84 116.67 108.48 1j6v s ASP 132 Ca 0.00 -1.47 -0.24 0.00 -0.52 0.00 0.00 52.55 50.32 1j6v s ASP 132 Cb -0.02 1.21 -0.16 0.00 -1.46 0.00 0.00 42.92 42.48 1j6v s ASP 132 CO -0.02 -0.18 1.65 0.25 0.52 0.00 0.00 175.17 177.38 1j6v h LEU 133 N 6.52 -0.09 -0.40 -1.34 5.85 -1.94 -1.13 115.31 122.79 1j6v h LEU 133 Ca 0.07 -0.07 0.08 0.00 0.84 0.00 0.00 57.88 58.80 1j6v h LEU 133 Cb 1.10 0.02 -0.07 0.00 0.37 0.00 0.00 40.66 42.07 1j6v h LEU 133 CO 0.14 0.02 -0.09 0.00 -0.34 0.00 0.00 178.44 178.17 1j6v h ALA 134 N 0.74 0.27 -0.28 1.25 0.00 -1.95 0.17 119.26 119.46 1j6v h ALA 134 Ca -0.01 0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 1j6v h ALA 134 Cb 0.15 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1j6v h ALA 134 CO 0.02 -0.45 -0.22 0.00 0.00 0.00 0.00 179.25 178.60 1j6v h ALA 135 N 1.40 1.10 -0.09 0.00 0.00 -1.96 -1.71 119.26 118.00 1j6v h ALA 135 Ca 0.19 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1j6v h ALA 135 Cb 0.29 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1j6v h ALA 135 CO -0.40 0.56 0.04 0.00 0.00 0.00 0.00 179.25 179.44 1j6v h ALA 136 N 1.30 0.12 -0.80 0.00 0.00 -0.11 -2.03 119.26 117.75 1j6v h ALA 136 Ca 0.07 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1j6v h ALA 136 Cb 0.64 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 1j6v h ALA 136 CO 0.05 -0.29 0.41 0.00 0.00 0.00 0.00 179.25 179.41 1j6v h ARG 137 N -0.01 1.12 -0.04 0.00 3.08 -0.54 -2.45 114.38 115.54 1j6v h ARG 137 Ca 0.03 -0.14 -0.09 0.00 0.07 0.00 0.00 59.98 59.85 1j6v h ARG 137 Cb 0.17 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 1j6v h ARG 137 CO -0.00 0.84 -0.39 0.37 -1.07 0.00 0.00 179.97 179.72 1j6v h GLN 138 N 1.12 0.08 -0.21 0.04 5.75 -1.16 -1.81 115.11 118.92 1j6v h GLN 138 Ca 0.28 -0.04 -0.15 0.00 -0.15 0.00 0.00 58.65 58.59 1j6v h GLN 138 Cb 0.07 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.61 1j6v h GLN 138 CO -0.04 0.46 -0.48 0.45 -2.65 0.00 0.00 178.83 176.57 1j6v h HIS 139 N 0.07 0.70 -0.23 3.99 3.86 -0.95 -0.65 115.15 121.93 1j6v h HIS 139 Ca 0.01 -0.23 -0.03 0.00 -1.16 0.00 0.00 60.37 58.96 1j6v h HIS 139 Cb 0.73 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 29.05 1j6v h HIS 139 CO 0.00 0.94 0.03 0.00 0.86 0.00 0.00 177.93 179.76 1j6v h ALA 140 N 1.02 0.31 -0.89 2.45 0.00 -1.15 -2.52 119.26 118.49 1j6v h ALA 140 Ca 0.02 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1j6v h ALA 140 Cb 1.01 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 1j6v h ALA 140 CO 0.09 0.00 0.57 0.00 0.00 0.00 0.00 179.25 179.92 1j6v h ARG 141 N 0.19 1.18 -0.75 0.00 3.08 -1.15 -2.30 114.38 114.62 1j6v h ARG 141 Ca 0.07 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 1j6v h ARG 141 Cb 0.35 -0.26 -0.04 0.00 0.08 0.00 0.00 29.97 30.10 1j6v h ARG 141 CO 0.01 0.80 0.43 -0.44 -1.07 0.00 0.00 179.97 179.69 1j6v h ASP 142 N 1.21 0.92 -0.46 7.04 3.32 -0.98 -0.24 116.42 127.22 1j6v h ASP 142 Ca 0.32 -0.08 -0.02 0.00 0.02 0.00 0.00 57.03 57.27 1j6v h ASP 142 Cb -0.11 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.19 1j6v h ASP 142 CO -0.07 0.73 0.20 0.58 -1.72 0.00 0.00 179.24 178.96 1j6v h VAL 143 N 1.03 1.20 -0.32 -1.35 2.07 -1.14 -1.46 116.25 116.28 1j6v h VAL 143 Ca 0.27 -0.60 -0.07 0.00 0.82 0.00 0.00 66.70 67.11 1j6v h VAL 143 Cb -0.00 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 1j6v h VAL 143 CO -0.05 0.23 -0.10 -0.07 0.02 0.00 0.00 177.57 177.60 1j6v h LEU 144 N 0.60 0.51 -0.43 2.57 3.38 -1.07 -0.10 115.31 120.77 1j6v h LEU 144 Ca 0.16 -0.13 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 1j6v h LEU 144 Cb 0.17 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1j6v h LEU 144 CO -0.01 0.65 -0.07 0.44 0.09 0.00 0.00 178.44 179.54 1j6v h ASP 145 N 0.49 0.80 0.09 -0.43 3.32 -0.71 -3.06 116.42 116.93 1j6v h ASP 145 Ca 0.09 -0.35 -0.16 0.00 0.02 0.00 0.00 57.03 56.64 1j6v h ASP 145 Cb 0.47 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 1j6v h ASP 145 CO 0.03 0.96 -0.58 1.56 -1.72 0.00 0.00 179.24 179.48 1j6v h GLN 146 N 0.63 0.50 -0.15 3.56 4.20 -1.08 -3.50 115.11 119.27 1j6v h GLN 146 Ca 0.11 -0.33 0.00 0.00 0.06 0.00 0.00 58.65 58.49 1j6v h GLN 146 Cb 0.59 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.41 1j6v h GLN 146 CO 0.04 0.94 0.00 0.41 -0.67 0.00 0.00 178.83 179.55 1j6v n GLY 147 N 0.30 -0.18 3.89 3.46 0.00 -0.07 -4.98 105.19 107.61 1j6v n GLY 147 Ca -0.03 -1.16 -0.29 0.00 0.00 0.00 0.00 46.02 44.53 1j6v n GLY 147 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1j6v s LEU 148 N -0.19 3.21 0.13 0.99 1.43 -1.26 -4.52 118.68 118.46 1j6v s LEU 148 Ca 0.00 1.14 -0.24 0.00 -1.03 0.00 0.00 54.13 54.00 1j6v s LEU 148 Cb 0.00 -4.07 0.07 0.00 0.03 0.00 0.00 46.19 42.23 1j6v s LEU 148 CO 0.00 -0.98 0.66 -1.59 0.23 0.00 0.00 176.35 174.67 1j6v s LYS 149 N -5.13 1.21 -0.17 1.70 0.00 -1.25 -5.02 119.74 111.09 1j6v s LYS 149 Ca 0.54 -0.46 -0.25 0.00 0.00 0.00 0.00 55.97 55.81 1j6v s LYS 149 Cb -0.11 0.55 -0.02 0.00 0.00 0.00 0.00 37.83 38.26 1j6v s LYS 149 CO 0.50 -0.53 0.80 0.08 0.00 0.00 0.00 175.35 176.20 1j6v s VAL 150 N -3.64 4.90 -0.22 1.79 1.01 -1.26 -2.08 120.40 120.91 1j6v s VAL 150 Ca 0.02 1.56 -0.14 0.00 0.00 0.00 0.00 61.98 63.43 1j6v s VAL 150 Cb -0.01 -4.11 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 1j6v s VAL 150 CO -0.11 0.05 0.30 -1.58 0.00 0.00 0.00 175.10 173.76 1j6v s GLN 151 N 2.07 4.13 0.48 2.72 2.00 -0.46 -4.94 119.66 125.66 1j6v s GLN 151 Ca 0.37 0.02 -0.19 0.00 -2.00 0.00 0.00 55.36 53.55 1j6v s GLN 151 Cb -0.16 -3.54 -0.09 0.00 0.80 0.00 0.00 33.01 30.02 1j6v s GLN 151 CO 0.12 -0.00 1.00 -1.83 -0.50 0.00 0.00 175.29 174.08 1j6v s GLU 152 N 1.21 3.95 -0.32 1.67 -1.05 -1.26 -4.60 118.70 118.30 1j6v s GLU 152 Ca 0.14 1.17 -0.25 0.00 -0.15 0.00 0.00 54.97 55.88 1j6v s GLU 152 Cb -0.14 -2.13 0.01 0.00 -0.44 0.00 0.00 34.13 31.43 1j6v s GLU 152 CO 0.07 -0.28 0.88 0.99 0.95 0.00 0.00 175.26 177.86 1j6v s THR 153 N -2.24 4.69 -0.36 1.83 2.01 -1.26 -4.96 115.64 115.35 1j6v s THR 153 Ca 0.63 1.30 -0.15 0.00 0.31 0.00 0.00 61.69 63.78 1j6v s THR 153 Cb -0.12 -4.24 -0.01 0.00 0.01 0.00 0.00 72.50 68.14 1j6v s THR 153 CO 0.21 -0.35 0.37 -0.63 -0.69 0.00 0.00 174.62 173.53 1j6v s ILE 154 N 3.20 5.16 0.54 1.82 -1.09 -1.26 -5.03 121.20 124.54 1j6v s ILE 154 Ca 0.36 -0.06 -0.17 0.00 -2.23 0.00 0.00 60.65 58.55 1j6v s ILE 154 Cb -0.13 -3.86 -0.06 0.00 -1.58 0.00 0.00 42.46 36.82 1j6v s ILE 154 CO 0.14 -0.16 1.02 -0.76 -1.23 0.00 0.00 174.94 173.96 1j6v s LEU 155 N 2.01 3.62 0.86 2.97 2.01 -1.26 -0.36 118.68 128.53 1j6v s LEU 155 Ca 0.11 1.73 -0.12 0.00 0.01 0.00 0.00 54.13 55.86 1j6v s LEU 155 Cb -0.17 -4.53 0.11 0.00 0.01 0.00 0.00 46.19 41.61 1j6v s LEU 155 CO 0.12 -0.85 1.17 -0.76 1.01 0.00 0.00 176.35 177.03 1j6v s LEU 156 N -4.12 2.29 0.00 1.79 1.43 -0.44 -4.65 118.68 114.98 1j6v s LEU 156 Ca 0.62 0.83 0.29 0.00 -1.03 0.00 0.00 54.13 54.84 1j6v s LEU 156 Cb -0.13 -3.23 1.26 0.00 0.03 0.00 0.00 46.19 44.11 1j6v s LEU 156 CO 0.31 -2.22 1.86 1.21 0.23 0.00 0.00 176.35 177.74