#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1onq s GLN 2 N 0.00 1.59 -0.06 6.28 -0.21 -1.26 -4.70 119.66 121.29 1onq s GLN 2 Ca 0.00 -0.48 0.06 0.00 0.02 0.00 0.00 55.36 54.95 1onq s GLN 2 Cb 0.00 -1.37 -0.01 0.00 1.00 0.00 0.00 33.01 32.64 1onq s GLN 2 CO 0.00 0.15 -0.24 1.03 -2.12 0.00 0.00 175.29 174.11 1onq s ARG 3 N 0.27 2.54 0.23 2.91 0.52 -0.57 -4.92 118.95 119.93 1onq s ARG 3 Ca -0.07 -0.87 -0.28 0.00 -0.52 0.00 0.00 55.73 53.99 1onq s ARG 3 Cb -0.12 -2.12 -0.09 0.00 0.52 0.00 0.00 34.95 33.14 1onq s ARG 3 CO 0.02 0.34 0.89 -0.08 0.02 0.00 0.00 175.30 176.49 1onq s THR 4 N -0.08 4.20 0.43 0.02 -1.32 -1.26 -1.63 115.64 116.00 1onq s THR 4 Ca -0.06 1.90 -0.23 0.00 -1.21 0.00 0.00 61.69 62.09 1onq s THR 4 Cb -0.14 -4.20 -0.08 0.00 -1.51 0.00 0.00 72.50 66.57 1onq s THR 4 CO 0.04 0.43 1.11 -2.16 -2.21 0.00 0.00 174.62 171.83 1onq s PRO 5 N -1.36 3.96 -0.11 7.08 0.04 -1.26 -4.44 135.00 138.91 1onq s PRO 5 Ca 0.41 1.65 -0.12 0.00 0.04 0.00 0.00 61.00 62.99 1onq s PRO 5 Cb -0.23 -2.48 -0.05 0.00 0.04 0.00 0.00 34.50 31.78 1onq s PRO 5 CO 0.28 -0.35 0.26 0.21 0.04 0.00 0.00 177.00 177.45 1onq s LYS 6 N -2.59 3.93 -0.14 4.56 2.20 -0.02 -4.93 119.74 122.75 1onq s LYS 6 Ca 0.61 0.08 -0.00 0.00 -0.36 0.00 0.00 55.97 56.29 1onq s LYS 6 Cb -0.26 -3.31 0.03 0.00 -1.51 0.00 0.00 37.83 32.79 1onq s LYS 6 CO 0.31 0.51 -0.10 0.42 -0.36 0.00 0.00 175.35 176.14 1onq s ILE 7 N -0.36 1.31 -0.11 5.43 1.01 -1.26 -1.86 121.20 125.36 1onq s ILE 7 Ca 0.17 -0.53 0.00 0.00 0.00 0.00 0.00 60.65 60.30 1onq s ILE 7 Cb -0.13 -1.30 0.02 0.00 0.01 0.00 0.00 42.46 41.05 1onq s ILE 7 CO 0.06 0.36 -0.11 -1.10 0.00 0.00 0.00 174.94 174.15 1onq s GLN 8 N 1.59 1.84 -0.13 2.79 -0.21 -0.74 -5.00 119.66 119.80 1onq s GLN 8 Ca 0.04 -0.40 -0.03 0.00 0.02 0.00 0.00 55.36 55.00 1onq s GLN 8 Cb -0.13 -1.73 -0.03 0.00 1.00 0.00 0.00 33.01 32.12 1onq s GLN 8 CO -0.09 -0.18 -0.04 0.08 -2.12 0.00 0.00 175.29 172.93 1onq s VAL 9 N 1.38 3.87 -0.02 1.09 1.01 -1.26 -1.12 120.40 125.35 1onq s VAL 9 Ca 0.00 -0.38 -0.24 0.00 0.00 0.00 0.00 61.98 61.36 1onq s VAL 9 Cb -0.13 -2.67 0.05 0.00 0.00 0.00 0.00 36.38 33.63 1onq s VAL 9 CO -0.06 0.52 0.53 -0.72 0.00 0.00 0.00 175.10 175.37 1onq s TYR 10 N 0.07 -0.46 0.32 5.22 1.13 -0.92 -4.89 117.35 117.81 1onq s TYR 10 Ca -0.00 0.72 -0.04 0.00 -1.41 0.00 0.00 57.07 56.34 1onq s TYR 10 Cb -0.13 0.30 -0.05 0.00 -1.10 0.00 0.00 41.96 40.98 1onq s TYR 10 CO 0.03 -0.55 0.57 -1.54 -2.51 0.00 0.00 175.55 171.55 1onq s SER 11 N -1.41 6.39 0.13 -0.18 1.04 -1.26 -0.55 113.70 117.86 1onq s SER 11 Ca -0.11 0.67 -0.05 0.00 0.48 0.00 0.00 55.95 56.95 1onq s SER 11 Cb -0.02 -2.13 -0.10 0.00 0.10 0.00 0.00 66.02 63.87 1onq s SER 11 CO 0.06 -0.25 1.30 -0.09 0.98 0.00 0.00 173.24 175.23 1onq h ARG 12 N 1.35 0.42 -5.55 4.02 9.65 -1.63 -3.46 114.38 119.17 1onq h ARG 12 Ca -0.48 -0.45 -0.46 0.00 -1.10 0.00 0.00 59.98 57.49 1onq h ARG 12 Cb 1.20 0.13 -0.14 0.00 -1.39 0.00 0.00 29.97 29.76 1onq h ARG 12 CO 0.65 1.12 -0.72 -1.01 2.80 0.00 0.00 179.97 182.80 1onq s HIS 13 N -3.25 1.76 0.32 2.20 3.76 -1.26 -5.03 115.29 113.78 1onq s HIS 13 Ca -0.06 -0.60 -0.28 0.00 -0.15 0.00 0.00 55.06 53.97 1onq s HIS 13 Cb 0.09 -0.86 -0.13 0.00 1.11 0.00 0.00 32.58 32.79 1onq s HIS 13 CO 0.87 0.34 1.23 -0.35 -0.85 0.00 0.00 174.74 175.98 1onq n PRO 14 N -0.42 1.92 -1.85 8.40 -0.04 -1.26 -4.92 135.00 136.83 1onq n PRO 14 Ca -0.07 0.67 -0.40 0.00 -0.04 0.00 0.00 63.50 63.66 1onq n PRO 14 Cb 0.61 -2.21 0.01 0.00 -0.04 0.00 0.00 33.50 31.87 1onq n PRO 14 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1onq s ALA 15 N -1.01 3.35 -0.29 0.55 0.00 -1.26 -5.00 121.76 118.10 1onq s ALA 15 Ca 0.57 1.46 -0.00 0.00 0.00 0.00 0.00 51.96 53.99 1onq s ALA 15 Cb -0.61 -3.58 0.18 0.00 0.00 0.00 0.00 23.12 19.12 1onq s ALA 15 CO 0.61 -1.08 0.57 -2.00 0.00 0.00 0.00 175.76 173.85 1onq s GLU 16 N -2.29 0.54 0.24 0.00 2.12 -1.26 -5.13 118.70 112.91 1onq s GLU 16 Ca 0.58 0.88 -0.31 0.00 0.36 0.00 0.00 54.97 56.47 1onq s GLU 16 Cb -0.44 0.38 -0.13 0.00 0.26 0.00 0.00 34.13 34.21 1onq s GLU 16 CO 0.57 -0.68 1.54 0.09 -0.54 0.00 0.00 175.26 176.24 1onq n ASN 17 N 5.42 3.37 0.00 -1.70 3.02 -1.26 -1.99 115.26 122.12 1onq n ASN 17 Ca -0.01 1.12 0.00 0.00 -0.03 0.00 0.00 54.58 55.67 1onq n ASN 17 Cb 0.51 -1.51 0.00 0.00 -0.61 0.00 0.00 39.78 38.17 1onq n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1onq n GLY 18 N 2.59 0.52 3.34 7.41 0.00 -1.00 -5.03 105.19 113.03 1onq n GLY 18 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 1onq n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1onq s LYS 19 N -0.10 1.89 0.36 1.61 2.20 -0.84 -5.05 119.74 119.80 1onq s LYS 19 Ca 0.00 -1.06 -0.27 0.00 -0.36 0.00 0.00 55.97 54.28 1onq s LYS 19 Cb 0.00 -2.00 -0.09 0.00 -1.51 0.00 0.00 37.83 34.23 1onq s LYS 19 CO 0.00 0.53 1.16 0.45 -0.36 0.00 0.00 175.35 177.13 1onq s SER 20 N -1.07 6.75 0.20 1.43 0.15 -1.26 -4.18 113.70 115.72 1onq s SER 20 Ca 0.11 2.36 -0.04 0.00 0.70 0.00 0.00 55.95 59.08 1onq s SER 20 Cb -0.10 -2.62 0.02 0.00 -1.71 0.00 0.00 66.02 61.61 1onq s SER 20 CO 0.01 -0.51 0.33 -3.20 1.20 0.00 0.00 173.24 171.06 1onq n ASN 21 N 0.44 -0.93 -3.95 5.45 2.85 -0.61 -5.02 115.26 113.49 1onq n ASN 21 Ca 0.02 -1.94 -0.22 0.00 -0.11 0.00 0.00 54.58 52.33 1onq n ASN 21 Cb 0.46 1.64 -0.16 0.00 1.24 0.00 0.00 39.78 42.95 1onq n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1onq s PHE 22 N -4.53 1.09 -0.02 1.20 0.08 -1.26 -2.17 117.98 112.37 1onq s PHE 22 Ca 0.13 -0.38 -0.13 0.00 0.12 0.00 0.00 56.93 56.67 1onq s PHE 22 Cb -0.01 -0.87 -0.05 0.00 -0.57 0.00 0.00 43.02 41.51 1onq s PHE 22 CO 0.09 -0.25 0.35 -1.17 -0.10 0.00 0.00 175.22 174.14 1onq s LEU 23 N 0.86 4.45 0.09 -0.37 2.96 -0.44 -1.42 118.68 124.81 1onq s LEU 23 Ca -0.12 0.84 0.07 0.00 -0.22 0.00 0.00 54.13 54.70 1onq s LEU 23 Cb -0.15 -2.50 -0.03 0.00 0.50 0.00 0.00 46.19 44.01 1onq s LEU 23 CO 0.01 0.33 -0.17 0.20 -1.32 0.00 0.00 176.35 175.40 1onq s ASN 24 N -1.12 2.13 -0.19 3.68 0.01 0.29 -2.39 114.94 117.35 1onq s ASN 24 Ca 0.22 -0.67 -0.04 0.00 -0.71 0.00 0.00 52.86 51.66 1onq s ASN 24 Cb -0.15 -0.10 0.08 0.00 0.41 0.00 0.00 41.25 41.49 1onq s ASN 24 CO 0.12 -0.02 0.14 0.00 -1.51 0.00 0.00 177.10 175.83 1onq s TYR 26 N 2.20 3.22 -0.20 0.00 5.04 -0.28 -1.05 117.35 126.28 1onq s TYR 26 Ca 0.04 -0.09 -0.02 0.00 -2.44 0.00 0.00 57.07 54.57 1onq s TYR 26 Cb -0.16 -2.52 0.00 0.00 0.35 0.00 0.00 41.96 39.63 1onq s TYR 26 CO -0.13 -0.35 -0.10 0.08 -1.34 0.00 0.00 175.55 173.71 1onq s VAL 27 N 1.83 2.91 0.17 3.14 1.01 -0.44 -1.78 120.40 127.23 1onq s VAL 27 Ca 0.08 -0.65 -0.05 0.00 0.00 0.00 0.00 61.98 61.35 1onq s VAL 27 Cb -0.17 -2.29 -0.02 0.00 0.00 0.00 0.00 36.38 33.90 1onq s VAL 27 CO 0.11 0.47 0.21 -0.94 0.00 0.00 0.00 175.10 174.95 1onq s SER 28 N 1.34 0.12 -1.32 3.32 1.04 -0.77 -0.70 113.70 116.73 1onq s SER 28 Ca 0.04 -1.09 0.00 0.00 0.48 0.00 0.00 55.95 55.38 1onq s SER 28 Cb -0.14 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.38 1onq s SER 28 CO -0.06 -0.87 0.00 0.61 0.98 0.00 0.00 173.24 173.90 1onq n GLY 29 N -0.22 1.05 3.91 7.32 0.00 -0.31 -0.84 105.19 116.11 1onq n GLY 29 Ca -0.04 -0.41 -0.25 0.00 0.00 0.00 0.00 46.02 45.32 1onq n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1onq s PHE 30 N -2.51 3.39 -0.27 1.61 -0.71 -1.14 -4.30 117.98 114.04 1onq s PHE 30 Ca 0.00 0.06 -0.16 0.00 -1.04 0.00 0.00 56.93 55.79 1onq s PHE 30 Cb 0.00 -1.61 0.08 0.00 -1.21 0.00 0.00 43.02 40.28 1onq s PHE 30 CO 0.00 0.51 0.66 -1.58 -1.34 0.00 0.00 175.22 173.47 1onq s HIS 31 N -1.79 -1.00 0.68 3.49 2.46 -0.65 -1.37 115.29 117.11 1onq s HIS 31 Ca 0.34 2.04 -0.12 0.00 0.47 0.00 0.00 55.06 57.79 1onq s HIS 31 Cb -0.10 0.58 0.16 0.00 -0.13 0.00 0.00 32.58 33.08 1onq s HIS 31 CO 0.27 -0.50 0.91 -0.35 -2.47 0.00 0.00 174.74 172.60 1onq n PRO 32 N 4.19 -0.94 0.12 2.88 -0.04 -1.26 -1.51 135.00 138.44 1onq n PRO 32 Ca -0.20 -1.40 -0.03 0.00 -0.04 0.00 0.00 63.50 61.83 1onq n PRO 32 Cb 0.58 -0.95 0.13 0.00 -0.04 0.00 0.00 33.50 33.23 1onq n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1onq h SER 33 N -1.23 0.05 -2.02 3.54 4.64 -1.99 -3.44 113.55 113.09 1onq h SER 33 Ca -0.30 -0.03 -0.62 0.00 -0.47 0.00 0.00 61.79 60.37 1onq h SER 33 Cb 0.81 -0.02 0.02 0.00 -0.31 0.00 0.00 62.40 62.91 1onq h SER 33 CO 0.21 0.70 1.10 -0.67 -0.87 0.00 0.00 176.83 177.30 1onq n ASP 34 N -3.77 3.44 -3.63 4.97 2.03 -1.26 -4.94 116.55 113.40 1onq n ASP 34 Ca -0.01 0.97 -0.13 0.00 0.52 0.00 0.00 54.79 56.14 1onq n ASP 34 Cb 0.65 -1.37 -0.07 0.00 -0.72 0.00 0.00 41.12 39.62 1onq n ASP 34 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1onq s ILE 35 N 4.12 -0.00 -0.29 5.18 2.07 -1.26 -4.68 121.20 126.34 1onq s ILE 35 Ca 0.93 0.00 -0.07 0.00 -1.41 0.00 0.00 60.65 60.10 1onq s ILE 35 Cb -0.70 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 40.89 1onq s ILE 35 CO 0.52 0.00 0.09 -0.70 -1.91 0.00 0.00 174.94 172.94 1onq s GLU 36 N 0.64 3.22 -0.12 3.50 2.12 -0.78 -5.00 118.70 122.28 1onq s GLU 36 Ca -0.02 -0.77 0.03 0.00 0.36 0.00 0.00 54.97 54.56 1onq s GLU 36 Cb -0.05 -3.38 0.01 0.00 0.26 0.00 0.00 34.13 30.97 1onq s GLU 36 CO -0.03 -0.39 -0.20 0.08 -0.54 0.00 0.00 175.26 174.17 1onq s VAL 37 N 1.53 1.85 0.05 3.70 1.01 -1.26 -1.14 120.40 126.14 1onq s VAL 37 Ca 0.04 -0.86 0.07 0.00 0.00 0.00 0.00 61.98 61.22 1onq s VAL 37 Cb -0.17 -1.64 -0.03 0.00 0.00 0.00 0.00 36.38 34.55 1onq s VAL 37 CO 0.03 0.51 -0.19 -1.81 0.00 0.00 0.00 175.10 173.64 1onq s ASP 38 N 0.75 2.29 -0.21 3.32 1.01 -0.38 -5.01 116.67 118.45 1onq s ASP 38 Ca -0.10 -0.53 -0.09 0.00 0.71 0.00 0.00 52.55 52.54 1onq s ASP 38 Cb -0.16 -0.17 -0.05 0.00 1.01 0.00 0.00 42.92 43.55 1onq s ASP 38 CO 0.01 0.12 0.12 -0.76 0.21 0.00 0.00 175.17 174.87 1onq s LEU 39 N -1.25 4.08 0.08 1.23 1.43 -1.26 -0.58 118.68 122.41 1onq s LEU 39 Ca 0.06 0.16 0.03 0.00 -1.03 0.00 0.00 54.13 53.35 1onq s LEU 39 Cb -0.09 -2.06 -0.04 0.00 0.03 0.00 0.00 46.19 44.03 1onq s LEU 39 CO 0.02 0.15 0.07 -0.76 0.23 0.00 0.00 176.35 176.05 1onq s LEU 40 N 0.56 3.75 -0.27 1.79 1.43 -0.74 0.24 118.68 125.44 1onq s LEU 40 Ca 0.07 -0.03 -0.01 0.00 -1.03 0.00 0.00 54.13 53.13 1onq s LEU 40 Cb -0.12 -2.43 0.08 0.00 0.03 0.00 0.00 46.19 43.75 1onq s LEU 40 CO 0.00 0.18 0.06 -0.75 0.23 0.00 0.00 176.35 176.06 1onq s LYS 41 N -2.35 0.89 -1.35 1.70 2.20 0.12 -2.11 119.74 118.83 1onq s LYS 41 Ca 0.28 -0.95 -0.06 0.00 -0.36 0.00 0.00 55.97 54.88 1onq s LYS 41 Cb -0.12 -2.18 0.02 0.00 -1.51 0.00 0.00 37.83 34.04 1onq s LYS 41 CO 0.21 -0.84 1.01 0.09 -0.36 0.00 0.00 175.35 175.46 1onq n ASN 42 N 4.83 -4.10 -0.05 1.43 3.02 0.71 -2.47 115.26 118.62 1onq n ASN 42 Ca -0.05 -0.66 -0.01 0.00 -0.03 0.00 0.00 54.58 53.83 1onq n ASN 42 Cb 0.44 -4.62 -0.00 0.00 -0.61 0.00 0.00 39.78 34.99 1onq n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1onq n GLY 43 N -1.66 0.38 3.28 7.41 0.00 -1.26 -5.01 105.19 108.33 1onq n GLY 43 Ca -0.11 -0.06 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 1onq n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1onq s GLU 44 N -0.91 3.23 0.48 1.61 0.41 -1.03 -5.05 118.70 117.44 1onq s GLU 44 Ca 0.00 -0.75 -0.24 0.00 -0.41 0.00 0.00 54.97 53.57 1onq s GLU 44 Cb 0.00 -2.58 -0.08 0.00 -1.78 0.00 0.00 34.13 29.69 1onq s GLU 44 CO 0.00 0.09 1.31 2.89 -0.49 0.00 0.00 175.26 179.06 1onq n ARG 45 N 3.85 1.85 -3.06 1.61 1.85 -1.26 -0.71 116.66 120.79 1onq n ARG 45 Ca -0.19 0.67 -0.40 0.00 -1.00 0.00 0.00 57.85 56.93 1onq n ARG 45 Cb 0.52 -2.48 -0.05 0.00 -1.05 0.00 0.00 32.46 29.40 1onq n ARG 45 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 1onq s ILE 46 N -1.25 4.86 0.04 8.89 1.01 0.14 -4.81 121.20 130.08 1onq s ILE 46 Ca 0.65 1.47 -0.16 0.00 0.00 0.00 0.00 60.65 62.61 1onq s ILE 46 Cb -0.46 -4.04 -0.30 0.00 0.01 0.00 0.00 42.46 37.67 1onq s ILE 46 CO 0.54 0.35 1.07 -0.33 0.00 0.00 0.00 174.94 176.58 1onq h GLU 47 N 5.93 0.58 -3.65 2.79 4.39 -1.93 -3.40 114.58 119.29 1onq h GLU 47 Ca -0.44 -0.80 -0.75 0.00 0.34 0.00 0.00 59.36 57.71 1onq h GLU 47 Cb 1.20 0.27 -0.30 0.00 -0.10 0.00 0.00 28.75 29.82 1onq h GLU 47 CO 0.72 1.36 -0.03 0.15 -1.16 0.00 0.00 179.01 180.04 1onq s LYS 48 N -2.90 3.30 -0.10 2.33 -0.14 -1.26 -5.00 119.74 115.96 1onq s LYS 48 Ca -0.10 -2.68 0.03 0.00 -1.36 0.00 0.00 55.97 51.86 1onq s LYS 48 Cb 0.05 -4.16 0.00 0.00 -1.68 0.00 0.00 37.83 32.04 1onq s LYS 48 CO 0.92 -1.24 -0.21 0.08 -0.76 0.00 0.00 175.35 174.13 1onq s VAL 49 N -0.28 1.89 0.39 3.17 1.01 -1.26 -4.83 120.40 120.50 1onq s VAL 49 Ca 0.20 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 61.28 1onq s VAL 49 Cb -0.13 -1.66 -0.02 0.00 0.00 0.00 0.00 36.38 34.57 1onq s VAL 49 CO -0.07 0.52 0.60 -0.70 0.00 0.00 0.00 175.10 175.45 1onq s GLU 50 N 0.53 3.28 0.12 2.72 2.56 -0.39 -4.93 118.70 122.59 1onq s GLU 50 Ca -0.15 -0.43 -0.18 0.00 0.00 0.00 0.00 54.97 54.21 1onq s GLU 50 Cb -0.17 -2.62 0.04 0.00 2.00 0.00 0.00 34.13 33.38 1onq s GLU 50 CO 0.05 -0.04 0.45 -3.38 -0.56 0.00 0.00 175.26 171.78 1onq s HIS 51 N -2.42 -0.29 0.66 5.30 -3.43 -1.26 -1.36 115.29 112.49 1onq s HIS 51 Ca 0.44 0.05 -0.11 0.00 -0.80 0.00 0.00 55.06 54.64 1onq s HIS 51 Cb -0.10 0.32 -0.01 0.00 -1.43 0.00 0.00 32.58 31.36 1onq s HIS 51 CO 0.37 -0.71 1.05 -1.54 -2.00 0.00 0.00 174.74 171.90 1onq s SER 52 N -2.65 5.76 0.37 7.38 1.04 -0.36 -4.99 113.70 120.24 1onq s SER 52 Ca 0.01 1.48 -0.28 0.00 0.48 0.00 0.00 55.95 57.64 1onq s SER 52 Cb 0.01 -2.43 -0.10 0.00 0.10 0.00 0.00 66.02 63.59 1onq s SER 52 CO -0.10 -1.18 1.43 -1.81 0.98 0.00 0.00 173.24 172.55 1onq s ASP 53 N -4.02 6.41 0.25 7.02 1.11 -1.26 -4.76 116.67 121.43 1onq s ASP 53 Ca 0.57 2.94 -0.31 0.00 0.18 0.00 0.00 52.55 55.92 1onq s ASP 53 Cb -0.12 -2.66 -0.12 0.00 1.07 0.00 0.00 42.92 41.09 1onq s ASP 53 CO 0.54 -0.81 1.66 -0.11 1.18 0.00 0.00 175.17 177.63 1onq n LEU 54 N 0.48 4.22 -4.27 1.23 7.94 -1.26 -4.92 117.00 120.41 1onq n LEU 54 Ca 0.01 1.11 -0.17 0.00 -1.11 0.00 0.00 56.01 55.84 1onq n LEU 54 Cb 0.40 -1.59 -0.09 0.00 0.53 0.00 0.00 43.42 42.68 1onq n LEU 54 CO 0.62 0.18 -0.16 -0.55 -1.11 0.00 0.00 177.39 176.37 1onq s SER 55 N 0.82 1.28 0.05 1.96 0.15 -1.19 -5.04 113.70 111.73 1onq s SER 55 Ca 0.69 -1.64 -0.06 0.00 0.70 0.00 0.00 55.95 55.65 1onq s SER 55 Cb -0.50 0.49 -0.01 0.00 -1.71 0.00 0.00 66.02 64.29 1onq s SER 55 CO 0.41 -0.98 0.11 0.72 1.20 0.00 0.00 173.24 174.69 1onq s PHE 56 N -3.65 0.24 0.54 3.44 -0.71 -1.26 -1.42 117.98 115.16 1onq s PHE 56 Ca 0.39 -0.62 -0.06 0.00 -1.04 0.00 0.00 56.93 55.60 1onq s PHE 56 Cb 0.04 -0.16 0.12 0.00 -1.21 0.00 0.00 43.02 41.81 1onq s PHE 56 CO 0.22 -0.42 0.74 0.43 -1.34 0.00 0.00 175.22 174.85 1onq n SER 57 N 0.40 0.41 -0.36 1.98 7.64 0.24 -4.93 113.62 118.99 1onq n SER 57 Ca -0.17 -1.48 -0.00 0.00 1.01 0.00 0.00 58.87 58.23 1onq n SER 57 Cb 0.60 -0.53 0.13 0.00 -1.01 0.00 0.00 64.21 63.40 1onq n SER 57 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1onq h LYS 58 N 0.00 1.20 -0.44 1.43 3.64 -2.03 -2.49 116.57 117.88 1onq h LYS 58 Ca -0.24 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.07 1onq h LYS 58 Cb 0.75 -0.27 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1onq h LYS 58 CO 0.20 0.79 0.00 -0.40 -2.27 0.00 0.00 179.45 177.78 1onq n ASP 59 N -4.46 0.71 0.00 4.20 5.75 -1.26 -4.88 116.55 116.60 1onq n ASP 59 Ca 0.13 -2.03 0.00 0.00 -0.01 0.00 0.00 54.79 52.88 1onq n ASP 59 Cb 0.09 -0.24 0.00 0.00 -1.03 0.00 0.00 41.12 39.94 1onq n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1onq n TRP 60 N -0.19 0.00 -2.29 2.11 7.02 -0.94 -5.01 117.44 118.15 1onq n TRP 60 Ca 0.02 0.00 -0.40 0.00 -1.02 0.00 0.00 57.50 56.10 1onq n TRP 60 Cb 0.16 -0.43 -0.03 0.00 -2.42 0.00 0.00 31.31 28.59 1onq n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1onq s SER 61 N -2.94 6.92 0.51 -0.99 1.04 -1.26 -4.66 113.70 112.33 1onq s SER 61 Ca 0.00 2.46 -0.06 0.00 0.48 0.00 0.00 55.95 58.83 1onq s SER 61 Cb 0.00 -2.63 -0.03 0.00 0.10 0.00 0.00 66.02 63.45 1onq s SER 61 CO 0.00 -0.41 0.83 -0.36 0.98 0.00 0.00 173.24 174.29 1onq s PHE 62 N -1.20 3.54 -0.03 5.02 0.08 -0.47 -0.59 117.98 124.34 1onq s PHE 62 Ca 0.49 0.87 -0.23 0.00 0.12 0.00 0.00 56.93 58.17 1onq s PHE 62 Cb -0.35 -2.41 0.05 0.00 -0.57 0.00 0.00 43.02 39.74 1onq s PHE 62 CO 0.46 -0.39 0.50 1.52 -0.10 0.00 0.00 175.22 177.20 1onq s TYR 63 N -2.83 -0.42 -0.07 0.36 -0.85 -0.51 -1.16 117.35 111.87 1onq s TYR 63 Ca 0.49 0.68 -0.11 0.00 -0.52 0.00 0.00 57.07 57.62 1onq s TYR 63 Cb -0.10 0.26 0.02 0.00 0.38 0.00 0.00 41.96 42.52 1onq s TYR 63 CO 0.46 -0.51 0.27 -0.51 -1.52 0.00 0.00 175.55 173.75 1onq s LEU 64 N -1.31 0.97 -0.18 -3.49 1.43 0.12 -3.19 118.68 113.02 1onq s LEU 64 Ca -0.12 0.38 -0.05 0.00 -1.03 0.00 0.00 54.13 53.31 1onq s LEU 64 Cb -0.02 1.01 -0.03 0.00 0.03 0.00 0.00 46.19 47.18 1onq s LEU 64 CO 0.07 -0.21 -0.00 -0.22 0.23 0.00 0.00 176.35 176.22 1onq s LEU 65 N -0.35 3.35 -0.12 1.79 2.96 -1.26 -1.33 118.68 123.72 1onq s LEU 65 Ca -0.05 -0.13 0.03 0.00 -0.22 0.00 0.00 54.13 53.76 1onq s LEU 65 Cb -0.03 -1.83 -0.00 0.00 0.50 0.00 0.00 46.19 44.82 1onq s LEU 65 CO 0.01 0.12 -0.20 -0.31 -1.32 0.00 0.00 176.35 174.65 1onq s TYR 66 N 0.67 2.65 0.24 5.38 1.51 -0.22 -1.23 117.35 126.36 1onq s TYR 66 Ca -0.00 -0.98 -0.05 0.00 -1.01 0.00 0.00 57.07 55.03 1onq s TYR 66 Cb -0.14 -1.77 -0.02 0.00 -0.11 0.00 0.00 41.96 39.92 1onq s TYR 66 CO 0.02 -0.39 0.29 1.52 -1.11 0.00 0.00 175.55 175.88 1onq s TYR 67 N 0.43 0.89 -0.18 2.71 1.13 -0.47 -0.30 117.35 121.56 1onq s TYR 67 Ca -0.15 -1.15 -0.31 0.00 -1.41 0.00 0.00 57.07 54.05 1onq s TYR 67 Cb -0.17 -0.25 0.14 0.00 -1.10 0.00 0.00 41.96 40.58 1onq s TYR 67 CO 0.06 -0.82 1.14 -0.08 -2.51 0.00 0.00 175.55 173.34 1onq s THR 68 N -3.98 0.00 0.35 -3.49 -1.32 -1.00 -1.26 115.64 104.93 1onq s THR 68 Ca 0.32 0.00 -0.27 0.00 -1.21 0.00 0.00 61.69 60.53 1onq s THR 68 Cb 0.03 -1.00 -0.09 0.00 -1.51 0.00 0.00 72.50 69.93 1onq s THR 68 CO 0.12 0.00 1.21 -1.61 -2.21 0.00 0.00 174.62 172.13 1onq s GLU 69 N -1.74 4.28 0.07 7.08 2.02 -1.26 -1.33 118.70 127.82 1onq s GLU 69 Ca 0.05 1.97 -0.19 0.00 0.02 0.00 0.00 54.97 56.83 1onq s GLU 69 Cb -0.01 -2.92 0.04 0.00 0.10 0.00 0.00 34.13 31.34 1onq s GLU 69 CO -0.04 -0.17 0.44 -0.59 0.02 0.00 0.00 175.26 174.93 1onq s PHE 70 N -1.26 -0.30 -0.28 1.61 -0.71 -0.92 -4.87 117.98 111.24 1onq s PHE 70 Ca 0.52 0.20 0.02 0.00 -1.04 0.00 0.00 56.93 56.63 1onq s PHE 70 Cb -0.34 0.27 0.08 0.00 -1.21 0.00 0.00 43.02 41.82 1onq s PHE 70 CO 0.44 -0.64 -0.02 0.99 -1.34 0.00 0.00 175.22 174.66 1onq s THR 71 N -2.88 1.87 0.73 -4.49 2.01 -1.26 -1.57 115.64 110.06 1onq s THR 71 Ca -0.03 -1.70 -0.16 0.00 0.31 0.00 0.00 61.69 60.12 1onq s THR 71 Cb -0.00 -2.19 0.04 0.00 0.01 0.00 0.00 72.50 70.36 1onq s THR 71 CO -0.05 -0.29 1.25 -2.84 -0.69 0.00 0.00 174.62 172.00 1onq s PRO 72 N 1.18 2.06 0.07 4.92 0.02 -1.26 -4.82 135.00 137.17 1onq s PRO 72 Ca 0.00 1.91 -0.10 0.00 0.02 0.00 0.00 61.00 62.84 1onq s PRO 72 Cb -0.19 -1.81 0.00 0.00 0.02 0.00 0.00 34.50 32.53 1onq s PRO 72 CO -0.08 -1.93 0.21 0.99 -0.33 0.00 0.00 177.00 175.85 1onq s THR 73 N -1.78 0.12 0.21 0.99 2.01 -1.26 -2.37 115.64 113.57 1onq s THR 73 Ca 0.78 -1.03 -0.09 0.00 0.31 0.00 0.00 61.69 61.66 1onq s THR 73 Cb -0.33 -1.18 0.15 0.00 0.01 0.00 0.00 72.50 71.14 1onq s THR 73 CO 0.45 -0.57 1.75 -0.33 -0.69 0.00 0.00 174.62 175.24 1onq h GLU 74 N 2.96 0.43 0.02 4.92 5.08 -1.99 -3.15 114.58 122.85 1onq h GLU 74 Ca -0.33 -0.03 -0.27 0.00 -1.00 0.00 0.00 59.36 57.73 1onq h GLU 74 Cb 1.20 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 30.32 1onq h GLU 74 CO 0.53 0.28 -1.47 1.57 -1.00 0.00 0.00 179.01 178.92 1onq h LYS 75 N 0.44 0.05 -6.32 2.33 2.10 -2.02 -3.47 116.57 109.69 1onq h LYS 75 Ca 0.31 -0.08 -0.55 0.00 -2.00 0.00 0.00 60.65 58.33 1onq h LYS 75 Cb 0.37 0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 31.72 1onq h LYS 75 CO -0.29 0.78 0.91 -0.51 -2.00 0.00 0.00 179.45 178.33 1onq s ASP 76 N -6.46 6.81 -0.24 7.07 1.01 -1.19 -5.00 116.67 118.67 1onq s ASP 76 Ca -0.04 2.09 -0.08 0.00 0.71 0.00 0.00 52.55 55.22 1onq s ASP 76 Cb 0.08 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.42 1onq s ASP 76 CO 0.83 -0.78 0.10 -1.61 0.21 0.00 0.00 175.17 173.92 1onq s GLU 77 N 2.94 3.84 0.12 8.23 2.02 -1.26 -4.60 118.70 130.00 1onq s GLU 77 Ca 0.65 -0.39 0.09 0.00 0.02 0.00 0.00 54.97 55.34 1onq s GLU 77 Cb -0.31 -3.39 -0.04 0.00 0.10 0.00 0.00 34.13 30.50 1onq s GLU 77 CO 0.26 -0.04 -0.15 0.71 0.02 0.00 0.00 175.26 176.05 1onq s TYR 78 N 1.26 2.59 0.22 1.61 1.51 -1.26 -0.21 117.35 123.07 1onq s TYR 78 Ca 0.06 -0.23 -0.05 0.00 -1.01 0.00 0.00 57.07 55.83 1onq s TYR 78 Cb -0.14 -1.36 0.02 0.00 -0.11 0.00 0.00 41.96 40.37 1onq s TYR 78 CO 0.05 0.41 0.38 0.00 -1.11 0.00 0.00 175.55 175.28 1onq n ALA 79 N 0.68 -0.68 -3.68 3.71 0.00 -0.90 -1.33 120.51 118.31 1onq n ALA 79 Ca -0.14 -0.82 -0.21 0.00 0.00 0.00 0.00 53.44 52.26 1onq n ALA 79 Cb 0.53 0.66 -0.18 0.00 0.00 0.00 0.00 19.45 20.46 1onq n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1onq s ARG 81 N 2.13 3.95 -0.08 0.00 3.52 0.26 -1.76 118.95 126.97 1onq s ARG 81 Ca 0.04 -0.21 0.01 0.00 -0.13 0.00 0.00 55.73 55.44 1onq s ARG 81 Cb -0.13 -3.33 0.02 0.00 -1.56 0.00 0.00 34.95 29.95 1onq s ARG 81 CO -0.04 0.43 -0.10 0.08 -0.81 0.00 0.00 175.30 174.86 1onq s VAL 82 N -0.02 1.07 -0.06 7.11 1.01 -0.50 -1.25 120.40 127.75 1onq s VAL 82 Ca 0.09 -0.39 0.03 0.00 0.00 0.00 0.00 61.98 61.72 1onq s VAL 82 Cb -0.11 -1.02 -0.02 0.00 0.00 0.00 0.00 36.38 35.22 1onq s VAL 82 CO -0.00 0.35 -0.15 0.21 0.00 0.00 0.00 175.10 175.51 1onq s ASN 83 N 1.10 3.97 0.05 3.32 2.47 -0.29 -1.77 114.94 123.79 1onq s ASN 83 Ca -0.06 -0.23 -0.18 0.00 0.42 0.00 0.00 52.86 52.81 1onq s ASN 83 Cb -0.14 -0.92 0.04 0.00 -1.45 0.00 0.00 41.25 38.77 1onq s ASN 83 CO -0.01 0.32 0.41 -2.28 -3.72 0.00 0.00 177.10 171.82 1onq s HIS 84 N -0.58 -0.27 0.43 0.43 5.65 -1.26 -1.87 115.29 117.82 1onq s HIS 84 Ca 0.08 0.22 0.13 0.00 0.25 0.00 0.00 55.06 55.74 1onq s HIS 84 Cb -0.11 0.22 1.00 0.00 -1.18 0.00 0.00 32.58 32.51 1onq s HIS 84 CO 0.01 -0.58 1.99 -0.24 -0.65 0.00 0.00 174.74 175.28 1onq h VAL 85 N 2.99 0.93 0.00 0.89 3.04 -1.95 -1.64 116.25 120.51 1onq h VAL 85 Ca -0.31 -0.15 0.00 0.00 -1.01 0.00 0.00 66.70 65.23 1onq h VAL 85 Cb 1.21 0.46 0.00 0.00 -2.01 0.00 0.00 31.29 30.94 1onq h VAL 85 CO 0.43 0.08 0.00 0.35 -1.01 0.00 0.00 177.57 177.42 1onq n THR 86 N -4.47 0.86 -3.75 3.17 -2.24 -1.26 -4.75 114.28 101.84 1onq n THR 86 Ca 0.09 0.27 -0.36 0.00 -2.27 0.00 0.00 64.05 61.78 1onq n THR 86 Cb 0.32 -1.20 -0.07 0.00 -2.10 0.00 0.00 70.33 67.27 1onq n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1onq s LEU 87 N -4.42 4.28 0.13 3.22 1.43 -0.62 -5.00 118.68 117.70 1onq s LEU 87 Ca 0.04 0.37 -0.15 0.00 -1.03 0.00 0.00 54.13 53.35 1onq s LEU 87 Cb 0.09 -2.13 -0.01 0.00 0.03 0.00 0.00 46.19 44.16 1onq s LEU 87 CO 0.37 0.25 1.62 0.28 0.23 0.00 0.00 176.35 179.10 1onq h SER 88 N 6.02 0.62 -4.69 2.29 0.02 -1.85 -3.45 113.55 112.51 1onq h SER 88 Ca -0.46 -0.25 -0.26 0.00 -0.84 0.00 0.00 61.79 59.99 1onq h SER 88 Cb 1.18 -0.16 -0.15 0.00 0.14 0.00 0.00 62.40 63.41 1onq h SER 88 CO 0.69 0.71 -0.67 0.00 -1.14 0.00 0.00 176.83 176.42 1onq s GLN 89 N -5.25 1.03 0.38 3.45 -2.07 -1.26 -5.13 119.66 110.81 1onq s GLN 89 Ca -0.13 -1.48 -0.26 0.00 -1.82 0.00 0.00 55.36 51.67 1onq s GLN 89 Cb 0.10 -0.16 -0.11 0.00 -1.09 0.00 0.00 33.01 31.75 1onq s GLN 89 CO 0.77 -0.14 1.18 -2.30 -1.32 0.00 0.00 175.29 173.49 1onq n PRO 90 N -0.18 1.78 -4.04 9.60 -0.02 -1.26 -4.93 135.00 135.95 1onq n PRO 90 Ca -0.07 0.63 -0.35 0.00 -2.02 0.00 0.00 63.50 61.69 1onq n PRO 90 Cb 0.63 -2.22 -0.10 0.00 -0.02 0.00 0.00 33.50 31.78 1onq n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1onq s LYS 91 N -1.99 3.90 -0.21 -0.52 2.20 -0.73 -4.96 119.74 117.45 1onq s LYS 91 Ca 0.59 -0.38 -0.02 0.00 -0.36 0.00 0.00 55.97 55.81 1onq s LYS 91 Cb -0.56 -3.18 0.01 0.00 -1.51 0.00 0.00 37.83 32.58 1onq s LYS 91 CO 0.59 0.23 -0.10 0.42 -0.36 0.00 0.00 175.35 176.13 1onq s ILE 92 N 0.48 2.86 -0.23 5.43 1.01 -1.26 -1.41 121.20 128.08 1onq s ILE 92 Ca 0.02 -0.73 -0.04 0.00 0.00 0.00 0.00 60.65 59.90 1onq s ILE 92 Cb -0.13 -2.30 -0.01 0.00 0.01 0.00 0.00 42.46 40.03 1onq s ILE 92 CO 0.01 0.42 -0.02 -0.69 0.00 0.00 0.00 174.94 174.66 1onq s VAL 93 N 1.39 3.54 0.25 2.92 1.01 -0.72 -4.96 120.40 123.83 1onq s VAL 93 Ca 0.05 -0.43 -0.20 0.00 0.00 0.00 0.00 61.98 61.39 1onq s VAL 93 Cb -0.14 -2.62 -0.09 0.00 0.00 0.00 0.00 36.38 33.53 1onq s VAL 93 CO -0.07 0.41 0.75 -0.54 0.00 0.00 0.00 175.10 175.65 1onq s LYS 94 N 1.50 4.25 -0.04 2.72 1.02 -1.26 -1.20 119.74 126.73 1onq s LYS 94 Ca 0.06 0.89 -0.30 0.00 0.02 0.00 0.00 55.97 56.64 1onq s LYS 94 Cb -0.14 -2.80 -0.02 0.00 -0.52 0.00 0.00 37.83 34.34 1onq s LYS 94 CO -0.02 0.35 0.99 -0.46 -0.92 0.00 0.00 175.35 175.28 1onq s TRP 95 N -1.60 3.60 -0.09 3.18 -0.00 -0.44 -4.88 118.94 118.71 1onq s TRP 95 Ca 0.45 1.66 -0.03 0.00 -0.00 0.00 0.00 56.10 58.18 1onq s TRP 95 Cb -0.16 -3.14 0.04 0.00 -0.00 0.00 0.00 33.47 30.21 1onq s TRP 95 CO 0.21 -0.09 0.06 0.34 -0.00 0.00 0.00 176.95 177.46 1onq s ASP 96 N 1.04 1.61 0.50 5.86 -1.08 -1.26 -4.61 116.67 118.73 1onq s ASP 96 Ca 0.51 -0.17 0.23 0.00 -0.52 0.00 0.00 52.55 52.60 1onq s ASP 96 Cb -0.20 -0.23 1.32 0.00 -1.46 0.00 0.00 42.92 42.35 1onq s ASP 96 CO 0.24 -0.27 2.05 0.08 0.52 0.00 0.00 175.17 177.79 1onq h ARG 97 N 8.41 0.00 -0.69 4.34 0.11 -2.00 -2.74 114.38 121.81 1onq h ARG 97 Ca -0.14 0.00 -0.38 0.00 0.10 0.00 0.00 59.98 59.56 1onq h ARG 97 Cb 1.13 0.00 -0.22 0.00 1.11 0.00 0.00 29.97 31.99 1onq h ARG 97 CO 0.21 0.14 0.28 -0.25 0.10 0.00 0.00 179.97 180.45 1onq n ASP 98 N -3.87 3.44 0.00 0.08 9.92 -1.26 -5.02 116.55 119.84 1onq n ASP 98 Ca -0.02 -3.72 0.00 0.00 -0.53 0.00 0.00 54.79 50.52 1onq n ASP 98 Cb 0.23 -0.74 0.00 0.00 -0.64 0.00 0.00 41.12 39.97 1onq n ASP 98 CO 0.00 0.00 0.00 0.23 0.13 0.00 0.00 177.20 177.56