#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1chq s PRO 2 N 0.00 2.92 0.00 -2.82 0.04 -1.26 -4.95 135.00 128.93 1chq s PRO 2 Ca 0.00 1.60 0.10 0.00 0.04 0.00 0.00 61.00 62.75 1chq s PRO 2 Cb 0.00 -1.95 -0.02 0.00 0.04 0.00 0.00 34.50 32.57 1chq s PRO 2 CO 0.00 -1.19 0.60 1.04 0.04 0.00 0.00 177.00 177.49 1chq n GLN 3 N -1.93 2.40 -4.04 4.56 6.02 -1.26 -4.89 117.38 118.24 1chq n GLN 3 Ca 0.12 -0.49 -0.10 0.00 -0.01 0.00 0.00 57.00 56.52 1chq n GLN 3 Cb 0.51 -1.07 -0.08 0.00 1.02 0.00 0.00 30.24 30.62 1chq n GLN 3 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1chq s ASN 4 N -1.51 0.16 0.54 1.08 2.20 -1.26 -5.04 114.94 111.11 1chq s ASN 4 Ca 0.08 -1.01 0.27 0.00 -0.94 0.00 0.00 52.86 51.25 1chq s ASN 4 Cb 0.08 0.37 1.43 0.00 -2.00 0.00 0.00 41.25 41.14 1chq s ASN 4 CO 0.29 -0.82 1.97 -0.29 -2.94 0.00 0.00 177.10 175.31 1chq h ILE 5 N 2.69 0.66 0.32 0.54 2.10 -1.96 -0.70 117.51 121.15 1chq h ILE 5 Ca -0.33 0.00 -0.02 0.00 1.08 0.00 0.00 64.86 65.59 1chq h ILE 5 Cb 1.21 0.69 0.00 0.00 -1.09 0.00 0.00 36.82 37.64 1chq h ILE 5 CO 0.53 0.00 -0.15 0.74 -1.08 0.00 0.00 178.15 178.19 1chq h THR 6 N 0.00 0.00 -0.54 2.19 2.02 -1.98 0.39 112.91 115.00 1chq h THR 6 Ca 0.27 -0.33 0.11 0.00 0.77 0.00 0.00 66.41 67.23 1chq h THR 6 Cb 1.14 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 67.45 1chq h THR 6 CO -0.00 0.00 -0.05 0.44 0.37 0.00 0.00 175.52 176.28 1chq h ASP 7 N -0.76 -0.34 -0.90 4.18 5.19 -1.93 0.84 116.42 122.70 1chq h ASP 7 Ca -0.04 0.14 0.05 0.00 -0.62 0.00 0.00 57.03 56.56 1chq h ASP 7 Cb 0.33 0.27 -0.05 0.00 0.18 0.00 0.00 39.33 40.05 1chq h ASP 7 CO 0.07 -0.12 0.59 0.25 -3.12 0.00 0.00 179.24 176.90 1chq h LEU 8 N 0.07 0.93 -0.60 1.55 6.46 -1.20 -2.45 115.31 120.06 1chq h LEU 8 Ca 0.27 -0.00 -0.15 0.00 -0.12 0.00 0.00 57.88 57.88 1chq h LEU 8 Cb 0.42 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 40.13 1chq h LEU 8 CO -0.49 0.62 -0.68 0.00 -0.62 0.00 0.00 178.44 177.26 1chq n ALA 10 N -2.44 2.49 -0.08 0.00 0.00 -0.19 -3.13 120.51 117.16 1chq n ALA 10 Ca -0.02 -0.09 0.10 0.00 0.00 0.00 0.00 53.44 53.43 1chq n ALA 10 Cb 0.67 -1.24 0.24 0.00 0.00 0.00 0.00 19.45 19.12 1chq n ALA 10 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1chq n GLU 11 N -0.76 2.58 -4.51 0.00 1.02 -1.16 -4.97 120.64 112.83 1chq n GLU 11 Ca 0.11 -2.35 -0.25 0.00 -0.02 0.00 0.00 57.16 54.65 1chq n GLU 11 Cb 0.05 -1.48 -0.09 0.00 -0.02 0.00 0.00 31.44 29.90 1chq n GLU 11 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 1chq s TYR 12 N -1.15 1.87 -0.08 -0.32 6.14 -1.18 -5.14 117.35 117.49 1chq s TYR 12 Ca 0.39 -1.11 -0.03 0.00 0.64 0.00 0.00 57.07 56.95 1chq s TYR 12 Cb 0.21 -1.26 -0.04 0.00 0.42 0.00 0.00 41.96 41.30 1chq s TYR 12 CO 0.28 -0.11 0.07 -1.01 0.64 0.00 0.00 175.55 175.42 1chq s HIS 13 N -3.21 3.35 -0.88 4.97 3.76 -1.26 -4.48 115.29 117.53 1chq s HIS 13 Ca 0.27 0.31 -0.05 0.00 -0.15 0.00 0.00 55.06 55.45 1chq s HIS 13 Cb 0.05 -1.83 0.01 0.00 1.11 0.00 0.00 32.58 31.92 1chq s HIS 13 CO 0.14 0.58 0.76 0.09 -0.85 0.00 0.00 174.74 175.47 1chq n ASN 14 N 1.82 -4.29 -4.33 1.40 4.13 -1.26 -4.91 115.26 107.82 1chq n ASN 14 Ca -0.17 -0.37 -0.28 0.00 1.68 0.00 0.00 54.58 55.43 1chq n ASN 14 Cb 0.54 -3.54 -0.14 0.00 -1.54 0.00 0.00 39.78 35.10 1chq n ASN 14 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1chq s THR 15 N -3.22 2.03 -0.04 3.41 -4.23 -1.26 -0.31 115.64 112.02 1chq s THR 15 Ca 0.31 -1.43 -0.04 0.00 -1.18 0.00 0.00 61.69 59.35 1chq s THR 15 Cb -0.13 -1.76 0.01 0.00 1.34 0.00 0.00 72.50 71.96 1chq s THR 15 CO 0.49 0.25 0.11 0.00 -0.54 0.00 0.00 174.62 174.93 1chq s GLN 16 N -1.44 0.12 0.16 3.99 -2.07 -0.90 -4.91 119.66 114.61 1chq s GLN 16 Ca 0.11 0.18 -0.24 0.00 -1.82 0.00 0.00 55.36 53.59 1chq s GLN 16 Cb -0.10 0.03 -0.08 0.00 -1.09 0.00 0.00 33.01 31.77 1chq s GLN 16 CO 0.03 -0.04 0.74 0.42 -1.32 0.00 0.00 175.29 175.13 1chq s ILE 17 N 0.22 4.44 -0.13 3.63 -1.09 -1.26 -2.26 121.20 124.75 1chq s ILE 17 Ca -0.01 1.58 0.02 0.00 -2.23 0.00 0.00 60.65 60.01 1chq s ILE 17 Cb -0.02 -4.06 0.01 0.00 -1.58 0.00 0.00 42.46 36.80 1chq s ILE 17 CO -0.01 0.48 -0.19 -1.00 -1.23 0.00 0.00 174.94 172.98 1chq s HIS 18 N -1.21 2.42 -0.20 3.97 3.76 0.22 -4.94 115.29 119.30 1chq s HIS 18 Ca 0.36 -1.20 -0.16 0.00 -0.15 0.00 0.00 55.06 53.92 1chq s HIS 18 Cb -0.22 -1.67 -0.04 0.00 1.11 0.00 0.00 32.58 31.76 1chq s HIS 18 CO 0.24 -0.57 0.39 0.99 -0.85 0.00 0.00 174.74 174.94 1chq s THR 19 N 0.89 5.21 -0.02 1.30 2.01 -1.26 0.06 115.64 123.82 1chq s THR 19 Ca -0.07 0.68 -0.00 0.00 0.31 0.00 0.00 61.69 62.61 1chq s THR 19 Cb -0.15 -3.72 -0.01 0.00 0.01 0.00 0.00 72.50 68.63 1chq s THR 19 CO -0.02 0.26 -0.02 0.18 -0.69 0.00 0.00 174.62 174.33 1chq n LEU 20 N 4.46 2.35 -4.11 4.42 4.77 0.25 -4.98 117.00 124.17 1chq n LEU 20 Ca -0.09 -0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.60 1chq n LEU 20 Cb 0.51 -0.06 -0.05 0.00 -2.33 0.00 0.00 43.42 41.49 1chq n LEU 20 CO 0.40 0.42 -0.33 0.59 -1.33 0.00 0.00 177.39 177.14 1chq n ASN 21 N -2.67 -0.22 -3.74 -1.43 3.02 0.06 -4.94 115.26 105.34 1chq n ASN 21 Ca -0.03 -1.14 -0.09 0.00 -0.03 0.00 0.00 54.58 53.28 1chq n ASN 21 Cb 0.53 -2.35 -0.03 0.00 -0.61 0.00 0.00 39.78 37.33 1chq n ASN 21 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1chq s ASP 22 N -4.29 -0.32 0.37 6.41 2.15 -0.40 -4.88 116.67 115.71 1chq s ASP 22 Ca 0.05 -0.46 -0.12 0.00 0.43 0.00 0.00 52.55 52.46 1chq s ASP 22 Cb -0.03 0.65 -0.07 0.00 -0.30 0.00 0.00 42.92 43.17 1chq s ASP 22 CO 0.94 -1.17 0.75 -1.59 -0.17 0.00 0.00 175.17 173.93 1chq s LYS 23 N -3.88 3.85 0.25 4.34 -2.85 -1.26 0.17 119.74 120.37 1chq s LYS 23 Ca 0.09 0.53 -0.30 0.00 -1.00 0.00 0.00 55.97 55.28 1chq s LYS 23 Cb -0.03 -2.41 -0.11 0.00 -2.06 0.00 0.00 37.83 33.22 1chq s LYS 23 CO -0.00 0.04 1.52 0.42 0.10 0.00 0.00 175.35 177.43 1chq s ILE 24 N -2.23 2.41 -0.03 3.79 1.01 -1.26 -4.62 121.20 120.27 1chq s ILE 24 Ca 0.52 0.34 -0.13 0.00 0.00 0.00 0.00 60.65 61.37 1chq s ILE 24 Cb -0.10 -3.22 -0.32 0.00 0.01 0.00 0.00 42.46 38.83 1chq s ILE 24 CO 0.26 0.05 0.76 0.15 0.00 0.00 0.00 174.94 176.17 1chq h PHE 25 N 5.27 0.77 -3.78 3.97 3.57 -0.13 -3.48 116.94 123.14 1chq h PHE 25 Ca -0.46 -0.56 -0.13 0.00 3.53 0.00 0.00 57.97 60.35 1chq h PHE 25 Cb 1.22 -0.03 -0.18 0.00 2.79 0.00 0.00 35.95 39.75 1chq h PHE 25 CO 0.60 1.62 -0.52 -1.54 -2.23 0.00 0.00 178.31 176.25 1chq s SER 26 N -7.35 0.16 -0.05 0.41 1.04 -1.17 -4.98 113.70 101.77 1chq s SER 26 Ca -0.14 -0.50 0.02 0.00 0.48 0.00 0.00 55.95 55.81 1chq s SER 26 Cb 0.05 0.22 0.01 0.00 0.10 0.00 0.00 66.02 66.40 1chq s SER 26 CO 0.87 -0.50 -0.10 -0.47 0.98 0.00 0.00 173.24 174.03 1chq s TYR 27 N -2.49 1.22 -0.08 5.02 5.04 -1.26 -2.20 117.35 122.60 1chq s TYR 27 Ca -0.06 -0.41 0.03 0.00 -2.44 0.00 0.00 57.07 54.19 1chq s TYR 27 Cb -0.02 -0.92 0.01 0.00 0.35 0.00 0.00 41.96 41.39 1chq s TYR 27 CO -0.04 -0.22 -0.16 0.99 -1.34 0.00 0.00 175.55 174.78 1chq s THR 28 N 0.60 1.45 -0.04 4.34 2.01 -0.40 -5.01 115.64 118.59 1chq s THR 28 Ca -0.11 -0.65 0.05 0.00 0.31 0.00 0.00 61.69 61.29 1chq s THR 28 Cb -0.14 -1.30 -0.01 0.00 0.01 0.00 0.00 72.50 71.06 1chq s THR 28 CO 0.02 0.43 -0.21 -0.70 -0.69 0.00 0.00 174.62 173.47 1chq s GLU 29 N 0.66 2.03 -0.07 4.92 2.12 -1.26 -1.68 118.70 125.42 1chq s GLU 29 Ca -0.14 -0.75 -0.00 0.00 0.36 0.00 0.00 54.97 54.45 1chq s GLU 29 Cb -0.16 -1.79 0.02 0.00 0.26 0.00 0.00 34.13 32.46 1chq s GLU 29 CO 0.04 0.34 -0.03 0.45 -0.54 0.00 0.00 175.26 175.51 1chq s SER 30 N -0.15 1.41 0.00 -1.70 0.15 -0.44 -5.00 113.70 107.97 1chq s SER 30 Ca -0.01 -0.14 0.21 0.00 0.70 0.00 0.00 55.95 56.71 1chq s SER 30 Cb -0.12 -0.52 0.21 0.00 -1.71 0.00 0.00 66.02 63.89 1chq s SER 30 CO 0.02 -0.11 1.20 0.00 1.20 0.00 0.00 173.24 175.55 1chq n LEU 31 N 4.59 2.87 -4.57 3.45 -0.00 -1.26 -2.39 117.00 119.69 1chq n LEU 31 Ca -0.16 -1.11 -0.40 0.00 -0.00 0.00 0.00 56.01 54.34 1chq n LEU 31 Cb 0.50 -0.05 -0.03 0.00 -0.00 0.00 0.00 43.42 43.85 1chq n LEU 31 CO 0.17 0.52 1.80 0.00 -0.00 0.00 0.00 177.39 179.89 1chq s ALA 32 N -1.67 2.27 0.00 1.47 0.00 -1.26 -4.73 121.76 117.83 1chq s ALA 32 Ca 0.27 0.15 -0.04 0.00 0.00 0.00 0.00 51.96 52.34 1chq s ALA 32 Cb 0.18 -4.20 -0.02 0.00 0.00 0.00 0.00 23.12 19.08 1chq s ALA 32 CO 0.27 -3.55 0.11 0.41 0.00 0.00 0.00 175.76 172.99 1chq n GLY 33 N 5.77 -0.07 3.60 0.00 0.00 -1.26 -1.43 105.19 111.81 1chq n GLY 33 Ca 0.29 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.39 1chq n GLY 33 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1chq n LYS 34 N 0.15 0.00 -1.53 1.61 2.85 -1.26 -4.64 118.16 115.34 1chq n LYS 34 Ca 0.02 0.00 0.02 0.00 -1.05 0.00 0.00 58.31 57.30 1chq n LYS 34 Cb 0.01 -3.41 0.07 0.00 -0.65 0.00 0.00 35.03 31.05 1chq n LYS 34 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1chq n ASP 35 N 0.00 1.60 -4.57 -5.58 5.75 -0.52 -4.96 116.55 108.28 1chq n ASP 35 Ca 0.00 -2.64 -0.32 0.00 -0.01 0.00 0.00 54.79 51.82 1chq n ASP 35 Cb 0.00 -0.39 -0.04 0.00 -1.03 0.00 0.00 41.12 39.65 1chq n ASP 35 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1chq s GLU 36 N -1.75 2.89 0.21 0.11 8.01 -1.23 -4.32 118.70 122.62 1chq s GLU 36 Ca 0.35 -1.12 0.10 0.00 0.01 0.00 0.00 54.97 54.31 1chq s GLU 36 Cb 0.38 -5.27 -0.05 0.00 -4.31 0.00 0.00 34.13 24.88 1chq s GLU 36 CO -0.11 -3.35 -0.19 0.00 0.01 0.00 0.00 175.26 171.62 1chq s MET 37 N 6.03 1.42 -0.16 1.61 0.23 -1.00 -4.52 119.30 122.91 1chq s MET 37 Ca 0.64 -1.55 0.01 0.00 -1.03 0.00 0.00 55.69 53.75 1chq s MET 37 Cb -0.01 -1.46 0.02 0.00 -1.53 0.00 0.00 34.83 31.84 1chq s MET 37 CO 0.07 0.28 -0.17 0.00 -2.03 0.00 0.00 175.02 173.17 1chq s ALA 38 N -2.32 2.06 -0.10 3.16 0.00 -1.26 -1.33 121.76 121.97 1chq s ALA 38 Ca 0.21 -1.03 0.03 0.00 0.00 0.00 0.00 51.96 51.17 1chq s ALA 38 Cb -0.05 -1.08 0.01 0.00 0.00 0.00 0.00 23.12 22.00 1chq s ALA 38 CO 0.09 -0.32 -0.17 0.42 0.00 0.00 0.00 175.76 175.78 1chq s ILE 39 N 1.33 1.59 0.28 0.00 1.01 -0.68 -1.59 121.20 123.13 1chq s ILE 39 Ca 0.03 -0.72 0.11 0.00 0.00 0.00 0.00 60.65 60.07 1chq s ILE 39 Cb -0.13 -1.42 -0.05 0.00 0.01 0.00 0.00 42.46 40.87 1chq s ILE 39 CO -0.10 0.46 -0.13 0.27 0.00 0.00 0.00 174.94 175.44 1chq s ILE 40 N 0.72 2.82 0.05 2.92 -4.36 -0.33 -1.27 121.20 121.75 1chq s ILE 40 Ca -0.12 -2.23 0.02 0.00 -0.26 0.00 0.00 60.65 58.06 1chq s ILE 40 Cb -0.16 -2.50 -0.03 0.00 1.25 0.00 0.00 42.46 41.02 1chq s ILE 40 CO 0.03 -0.39 -0.07 -0.89 0.24 0.00 0.00 174.94 173.86 1chq s THR 41 N -2.45 0.54 0.41 8.37 2.01 -0.93 -1.36 115.64 122.23 1chq s THR 41 Ca 0.31 -1.27 0.07 0.00 0.31 0.00 0.00 61.69 61.11 1chq s THR 41 Cb -0.05 -0.84 -0.05 0.00 0.01 0.00 0.00 72.50 71.56 1chq s THR 41 CO 0.17 -0.51 0.16 -0.36 -0.69 0.00 0.00 174.62 173.39 1chq s PHE 42 N -1.93 2.60 0.39 4.92 0.40 -0.34 0.60 117.98 124.61 1chq s PHE 42 Ca -0.05 -0.58 0.09 0.00 -0.60 0.00 0.00 56.93 55.79 1chq s PHE 42 Cb -0.06 -1.91 0.86 0.00 0.51 0.00 0.00 43.02 42.41 1chq s PHE 42 CO -0.01 0.23 1.95 -0.22 0.70 0.00 0.00 175.22 177.87 1chq h LYS 43 N 1.48 0.60 0.00 0.44 3.64 -1.89 -2.23 116.57 118.60 1chq h LYS 43 Ca -0.43 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 1chq h LYS 43 Cb 1.25 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 1chq h LYS 43 CO 0.71 0.40 0.00 0.27 -2.27 0.00 0.00 179.45 178.55 1chq n ASN 44 N -4.49 0.00 0.00 4.20 2.04 -1.26 -4.89 115.26 110.86 1chq n ASN 44 Ca 0.11 0.29 0.00 0.00 -0.44 0.00 0.00 54.58 54.54 1chq n ASN 44 Cb 0.32 -0.41 0.00 0.00 -2.53 0.00 0.00 39.78 37.16 1chq n ASN 44 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1chq n GLY 45 N 0.47 2.63 3.66 4.83 0.00 -0.84 -5.07 105.19 110.88 1chq n GLY 45 Ca 0.07 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.59 1chq n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1chq n ALA 46 N -0.80 0.56 -2.47 4.61 0.00 -1.26 -4.67 120.51 116.49 1chq n ALA 46 Ca 0.00 0.41 -0.32 0.00 0.00 0.00 0.00 53.44 53.53 1chq n ALA 46 Cb 0.00 -2.32 -0.13 0.00 0.00 0.00 0.00 19.45 17.00 1chq n ALA 46 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1chq s THR 47 N 1.96 2.98 0.17 0.00 2.01 -1.26 -1.20 115.64 120.30 1chq s THR 47 Ca 0.86 -0.85 -0.00 0.00 0.31 0.00 0.00 61.69 62.00 1chq s THR 47 Cb -0.79 -2.19 -0.04 0.00 0.01 0.00 0.00 72.50 69.49 1chq s THR 47 CO 0.47 0.52 0.08 -0.36 -0.69 0.00 0.00 174.62 174.64 1chq s PHE 48 N -0.79 1.07 0.21 4.92 0.40 -0.46 -4.24 117.98 119.10 1chq s PHE 48 Ca 0.12 -1.26 -0.08 0.00 -0.60 0.00 0.00 56.93 55.12 1chq s PHE 48 Cb -0.11 -0.57 -0.02 0.00 0.51 0.00 0.00 43.02 42.83 1chq s PHE 48 CO 0.02 -0.51 0.30 1.14 0.70 0.00 0.00 175.22 176.87 1chq s GLN 49 N -4.07 1.33 -0.18 0.44 -2.07 -0.90 -1.19 119.66 113.01 1chq s GLN 49 Ca 0.31 -1.37 -0.03 0.00 -1.82 0.00 0.00 55.36 52.45 1chq s GLN 49 Cb 0.07 0.37 -0.01 0.00 -1.09 0.00 0.00 33.01 32.35 1chq s GLN 49 CO 0.07 -0.50 -0.06 0.08 -1.32 0.00 0.00 175.29 173.56 1chq s VAL 50 N -4.06 3.43 0.07 3.63 1.01 -0.62 -1.18 120.40 122.68 1chq s VAL 50 Ca 0.27 -0.50 -0.31 0.00 0.00 0.00 0.00 61.98 61.44 1chq s VAL 50 Cb 0.03 -2.52 -0.10 0.00 0.00 0.00 0.00 36.38 33.79 1chq s VAL 50 CO 0.08 0.47 1.90 -0.62 0.00 0.00 0.00 175.10 176.92 1chq n GLU 51 N 4.16 2.79 -1.68 2.72 1.02 -1.26 -4.25 120.64 124.14 1chq n GLU 51 Ca -0.18 1.02 -0.37 0.00 -0.02 0.00 0.00 57.16 57.61 1chq n GLU 51 Cb 0.52 -2.94 0.07 0.00 -0.02 0.00 0.00 31.44 29.07 1chq n GLU 51 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1chq n VAL 52 N 5.08 4.50 0.00 2.62 0.31 -1.26 -5.00 118.33 124.58 1chq n VAL 52 Ca 0.19 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 64.02 1chq n VAL 52 Cb 0.38 -1.36 0.00 0.00 -0.91 0.00 0.00 33.84 31.96 1chq n VAL 52 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1chq n PRO 53 N -1.61 -0.57 0.00 5.55 -0.02 -1.26 -5.04 135.00 132.04 1chq n PRO 53 Ca 0.15 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 1chq n PRO 53 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.96 1chq n PRO 53 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1chq n GLY 54 N 0.00 1.67 0.00 -1.23 0.00 -1.26 -4.94 105.19 99.44 1chq n GLY 54 Ca 0.00 -1.48 0.10 0.00 0.00 0.00 0.00 46.02 44.65 1chq n GLY 54 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1chq n SER 55 N 0.00 0.00 -0.07 1.61 7.64 -1.26 -2.76 113.62 118.78 1chq n SER 55 Ca 0.00 -0.09 -0.14 0.00 1.01 0.00 0.00 58.87 59.65 1chq n SER 55 Cb 0.00 -0.25 -0.03 0.00 -1.01 0.00 0.00 64.21 62.92 1chq n SER 55 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 1chq h GLN 56 N 0.00 0.85 -5.58 1.43 4.15 -1.99 -3.42 115.11 110.55 1chq h GLN 56 Ca 0.00 -0.54 -0.60 0.00 0.77 0.00 0.00 58.65 58.28 1chq h GLN 56 Cb 0.17 0.06 -0.10 0.00 0.21 0.00 0.00 27.48 27.82 1chq h GLN 56 CO 0.00 1.17 0.14 -1.01 -1.93 0.00 0.00 178.83 177.20 1chq s HIS 57 N -4.13 3.33 1.12 3.99 0.09 -1.11 -5.05 115.29 113.52 1chq s HIS 57 Ca -0.10 0.87 -0.12 0.00 -0.00 0.00 0.00 55.06 55.70 1chq s HIS 57 Cb 0.10 -2.82 0.26 0.00 -0.00 0.00 0.00 32.58 30.12 1chq s HIS 57 CO 0.89 -0.25 1.05 0.96 -0.00 0.00 0.00 174.74 177.38 1chq s ILE 58 N 2.21 2.04 0.43 0.60 -4.36 -1.26 -4.66 121.20 116.20 1chq s ILE 58 Ca 0.27 0.01 0.12 0.00 -0.26 0.00 0.00 60.65 60.79 1chq s ILE 58 Cb -0.16 -2.07 0.31 0.00 1.25 0.00 0.00 42.46 41.80 1chq s ILE 58 CO 0.09 -0.02 2.01 0.44 0.24 0.00 0.00 174.94 177.71 1chq h ASP 59 N -2.49 0.38 0.47 4.36 3.32 -1.96 0.22 116.42 120.72 1chq h ASP 59 Ca -0.58 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.39 1chq h ASP 59 Cb 1.32 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.78 1chq h ASP 59 CO 0.49 0.25 -0.38 0.77 -1.72 0.00 0.00 179.24 178.65 1chq h SER 60 N 0.43 0.00 0.66 6.45 4.64 -2.00 -1.98 113.55 121.76 1chq h SER 60 Ca 0.23 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.39 1chq h SER 60 Cb 0.35 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.43 1chq h SER 60 CO -0.06 0.38 -0.73 1.56 -0.87 0.00 0.00 176.83 177.10 1chq h GLN 61 N 0.00 0.06 -0.44 4.77 4.20 -0.91 -2.32 115.11 120.46 1chq h GLN 61 Ca -0.00 -0.05 -0.06 0.00 0.06 0.00 0.00 58.65 58.59 1chq h GLN 61 Cb 0.71 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.48 1chq h GLN 61 CO 0.05 0.76 0.01 0.87 -0.67 0.00 0.00 178.83 179.85 1chq h LYS 62 N 0.04 0.71 -0.22 1.46 1.57 -0.54 -1.84 116.57 117.75 1chq h LYS 62 Ca -0.01 -0.18 -0.14 0.00 -1.87 0.00 0.00 60.65 58.45 1chq h LYS 62 Cb 1.29 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.51 1chq h LYS 62 CO 0.10 0.72 -0.42 0.87 -0.57 0.00 0.00 179.45 180.15 1chq h LYS 63 N 0.67 0.67 -0.01 3.15 6.56 -1.21 -0.52 116.57 125.89 1chq h LYS 63 Ca 0.14 -0.43 -0.05 0.00 -1.06 0.00 0.00 60.65 59.25 1chq h LYS 63 Cb 0.40 0.05 -0.01 0.00 -0.57 0.00 0.00 32.23 32.11 1chq h LYS 63 CO 0.01 1.05 -0.23 0.00 -2.06 0.00 0.00 179.45 178.22 1chq h ALA 64 N 0.62 1.60 -0.30 3.86 0.00 -1.32 0.12 119.26 123.84 1chq h ALA 64 Ca 0.01 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.60 1chq h ALA 64 Cb 1.02 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1chq h ALA 64 CO 0.09 0.30 -0.22 0.82 0.00 0.00 0.00 179.25 180.25 1chq h ILE 65 N 0.01 1.30 -0.45 0.00 2.04 -1.05 0.38 117.51 119.75 1chq h ILE 65 Ca 0.00 -1.36 -0.07 0.00 1.00 0.00 0.00 64.86 64.43 1chq h ILE 65 Cb 0.42 1.52 -0.02 0.00 -0.74 0.00 0.00 36.82 38.00 1chq h ILE 65 CO 0.03 0.44 -0.00 -0.33 0.00 0.00 0.00 178.15 178.28 1chq h GLU 66 N 0.43 0.80 -0.64 2.37 4.39 -0.69 -2.30 114.58 118.93 1chq h GLU 66 Ca 0.06 -0.26 0.00 0.00 0.34 0.00 0.00 59.36 59.50 1chq h GLU 66 Cb 0.77 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.32 1chq h GLU 66 CO 0.06 0.86 0.40 -0.09 -1.16 0.00 0.00 179.01 179.08 1chq h ARG 67 N 0.64 0.86 -0.42 2.33 2.43 -0.81 -1.39 114.38 118.03 1chq h ARG 67 Ca 0.13 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.22 1chq h ARG 67 Cb 0.50 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 1chq h ARG 67 CO 0.02 0.60 0.23 1.98 -1.51 0.00 0.00 179.97 181.30 1chq h MET 68 N 0.87 0.57 -0.37 0.20 4.05 -0.72 -1.56 114.93 117.96 1chq h MET 68 Ca 0.23 -0.05 -0.15 0.00 -0.28 0.00 0.00 59.70 59.45 1chq h MET 68 Cb -0.06 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 30.62 1chq h MET 68 CO -0.05 0.41 -0.37 0.87 0.23 0.00 0.00 176.91 178.00 1chq h LYS 69 N 0.58 0.88 -0.30 0.39 1.57 -0.69 -2.01 116.57 116.99 1chq h LYS 69 Ca 0.15 -0.45 -0.02 0.00 -1.87 0.00 0.00 60.65 58.45 1chq h LYS 69 Cb 0.01 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1chq h LYS 69 CO -0.03 1.10 0.11 -0.44 -0.57 0.00 0.00 179.45 179.62 1chq h ASP 70 N 0.72 0.43 -0.62 0.86 3.32 -1.00 -1.24 116.42 118.90 1chq h ASP 70 Ca 0.06 -0.19 0.06 0.00 0.02 0.00 0.00 57.03 56.98 1chq h ASP 70 Cb 0.95 -0.11 -0.05 0.00 0.22 0.00 0.00 39.33 40.34 1chq h ASP 70 CO 0.09 0.51 0.33 0.74 -1.72 0.00 0.00 179.24 179.18 1chq h THR 71 N 0.34 0.95 -0.65 0.35 2.02 -1.22 -0.03 112.91 114.67 1chq h THR 71 Ca 0.10 -0.21 -0.08 0.00 0.77 0.00 0.00 66.41 66.99 1chq h THR 71 Cb 0.22 0.29 -0.03 0.00 -1.74 0.00 0.00 68.15 66.89 1chq h THR 71 CO -0.01 0.11 0.10 -0.07 0.37 0.00 0.00 175.52 176.03 1chq h LEU 72 N 0.61 1.03 0.43 2.58 3.38 -1.20 -1.39 115.31 120.75 1chq h LEU 72 Ca 0.28 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1chq h LEU 72 Cb 0.19 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1chq h LEU 72 CO -0.19 1.02 -0.21 -0.09 0.09 0.00 0.00 178.44 179.07 1chq h ARG 73 N 1.01 -0.55 -0.41 1.13 2.43 -0.17 -2.46 114.38 115.35 1chq h ARG 73 Ca 0.20 0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.37 1chq h ARG 73 Cb 0.43 0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.09 1chq h ARG 73 CO 0.01 -0.26 0.10 -0.84 -1.51 0.00 0.00 179.97 177.48 1chq h ILE 74 N -0.84 1.19 -0.83 1.20 -0.00 -1.03 -1.72 117.51 115.46 1chq h ILE 74 Ca -0.06 -0.65 0.02 0.00 -0.00 0.00 0.00 64.86 64.17 1chq h ILE 74 Cb 0.56 0.76 -0.04 0.00 -0.00 0.00 0.00 36.82 38.09 1chq h ILE 74 CO 0.10 0.24 0.55 0.00 -0.00 0.00 0.00 178.15 179.04 1chq h ALA 75 N 1.52 1.44 -0.06 0.16 0.00 -1.28 0.18 119.26 121.22 1chq h ALA 75 Ca 0.14 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1chq h ALA 75 Cb 0.22 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1chq h ALA 75 CO -0.00 0.50 -0.17 -0.92 0.00 0.00 0.00 179.25 178.66 1chq h TYR 76 N 1.09 0.29 -0.23 0.00 3.20 -0.97 0.23 116.97 120.57 1chq h TYR 76 Ca 0.32 -0.11 -0.02 0.00 3.14 0.00 0.00 58.73 62.05 1chq h TYR 76 Cb -0.06 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.15 1chq h TYR 76 CO -0.00 0.78 0.04 -0.07 -1.64 0.00 0.00 178.16 177.27 1chq h LEU 77 N -0.29 0.30 -0.97 2.82 4.07 -1.05 -2.63 115.31 117.57 1chq h LEU 77 Ca -0.00 -0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.92 1chq h LEU 77 Cb 0.78 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.44 1chq h LEU 77 CO 0.04 0.33 -0.36 0.35 -1.08 0.00 0.00 178.44 177.72 1chq n THR 78 N -4.39 0.00 -3.56 0.22 -2.24 0.61 -4.98 114.28 99.94 1chq n THR 78 Ca 0.00 -0.25 -0.23 0.00 -2.27 0.00 0.00 64.05 61.30 1chq n THR 78 Cb 0.17 1.04 0.08 0.00 -2.10 0.00 0.00 70.33 69.51 1chq n THR 78 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1chq n GLU 79 N -0.03 -7.73 -2.48 -0.78 1.02 -0.05 -4.96 120.64 105.64 1chq n GLU 79 Ca 0.11 0.81 -0.35 0.00 -0.02 0.00 0.00 57.16 57.71 1chq n GLU 79 Cb 0.45 -5.80 -0.03 0.00 -0.02 0.00 0.00 31.44 26.04 1chq n GLU 79 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1chq s ALA 80 N -3.31 2.88 -0.16 0.62 0.00 -0.52 -4.84 121.76 116.42 1chq s ALA 80 Ca 0.54 0.68 -0.28 0.00 0.00 0.00 0.00 51.96 52.91 1chq s ALA 80 Cb -0.24 -3.28 -0.01 0.00 0.00 0.00 0.00 23.12 19.59 1chq s ALA 80 CO 0.71 -0.40 0.94 0.15 0.00 0.00 0.00 175.76 177.16 1chq s LYS 81 N -3.09 4.33 -0.13 0.00 3.01 -1.26 -4.27 119.74 118.33 1chq s LYS 81 Ca 0.67 1.22 -0.15 0.00 -1.01 0.00 0.00 55.97 56.69 1chq s LYS 81 Cb -0.19 -3.58 -0.05 0.00 -1.01 0.00 0.00 37.83 33.01 1chq s LYS 81 CO 0.23 -0.39 0.37 0.14 0.51 0.00 0.00 175.35 176.22 1chq s VAL 82 N 2.32 5.24 0.00 3.17 -7.23 0.13 -3.49 120.40 120.54 1chq s VAL 82 Ca 0.43 0.72 0.00 0.00 -1.81 0.00 0.00 61.98 61.32 1chq s VAL 82 Cb -0.17 -3.71 0.00 0.00 0.56 0.00 0.00 36.38 33.07 1chq s VAL 82 CO 0.13 0.39 0.00 1.21 -0.31 0.00 0.00 175.10 176.52 1chq n GLU 83 N 3.42 0.00 -4.29 4.82 2.13 0.14 -0.76 120.64 126.11 1chq n GLU 83 Ca -0.10 0.30 -0.21 0.00 0.66 0.00 0.00 57.16 57.81 1chq n GLU 83 Cb 0.52 -0.78 -0.11 0.00 0.27 0.00 0.00 31.44 31.34 1chq n GLU 83 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1chq s LYS 84 N -0.74 1.14 -0.04 5.31 1.02 -1.23 0.85 119.74 126.05 1chq s LYS 84 Ca 0.00 -1.28 0.04 0.00 0.02 0.00 0.00 55.97 54.76 1chq s LYS 84 Cb 0.00 -1.18 -0.00 0.00 -0.52 0.00 0.00 37.83 36.13 1chq s LYS 84 CO 0.00 0.25 -0.18 -0.51 -0.92 0.00 0.00 175.35 173.99 1chq s LEU 85 N -2.39 1.93 -0.28 3.17 1.43 0.11 -1.45 118.68 121.20 1chq s LEU 85 Ca 0.11 -0.36 -0.07 0.00 -1.03 0.00 0.00 54.13 52.78 1chq s LEU 85 Cb -0.07 -0.99 -0.00 0.00 0.03 0.00 0.00 46.19 45.16 1chq s LEU 85 CO 0.05 0.16 0.08 0.00 0.23 0.00 0.00 176.35 176.87 1chq s VAL 87 N 1.53 1.61 -0.40 0.00 -7.23 -0.96 0.76 120.40 115.71 1chq s VAL 87 Ca 0.04 -1.85 -0.26 0.00 -1.81 0.00 0.00 61.98 58.09 1chq s VAL 87 Cb -0.17 -1.73 0.02 0.00 0.56 0.00 0.00 36.38 35.06 1chq s VAL 87 CO 0.03 -0.38 0.94 0.26 -0.31 0.00 0.00 175.10 175.64 1chq s TRP 88 N -2.15 3.01 -1.36 2.82 0.51 0.12 -2.13 118.94 119.77 1chq s TRP 88 Ca 0.13 0.65 0.30 0.00 -2.12 0.00 0.00 56.10 55.06 1chq s TRP 88 Cb -0.05 -3.80 1.46 0.00 -0.81 0.00 0.00 33.47 30.27 1chq s TRP 88 CO 0.05 -0.94 2.02 0.27 -0.51 0.00 0.00 176.95 177.84 1chq n ASN 89 N 6.96 0.00 0.00 2.95 0.23 0.58 -2.73 115.26 123.25 1chq n ASN 89 Ca 0.07 -0.03 0.12 0.00 -0.53 0.00 0.00 54.58 54.21 1chq n ASN 89 Cb 0.48 -0.32 0.66 0.00 -2.08 0.00 0.00 39.78 38.52 1chq n ASN 89 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1chq n ASN 90 N -1.32 0.00 -4.60 0.53 6.94 -1.26 -4.81 115.26 110.74 1chq n ASN 90 Ca 0.13 -0.36 -0.27 0.00 -0.02 0.00 0.00 54.58 54.06 1chq n ASN 90 Cb 0.25 -0.17 -0.11 0.00 -2.36 0.00 0.00 39.78 37.40 1chq n ASN 90 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1chq s LYS 91 N -2.33 1.92 -0.11 -3.83 3.01 -1.25 -5.12 119.74 112.02 1chq s LYS 91 Ca 0.29 -2.07 -0.04 0.00 -1.01 0.00 0.00 55.97 53.15 1chq s LYS 91 Cb 0.17 -1.63 0.05 0.00 -1.01 0.00 0.00 37.83 35.41 1chq s LYS 91 CO 0.33 -0.01 0.12 0.99 0.51 0.00 0.00 175.35 177.29 1chq s THR 92 N -2.71 -0.18 0.68 2.17 2.01 -1.26 -3.48 115.64 112.87 1chq s THR 92 Ca 0.34 0.16 -0.14 0.00 0.31 0.00 0.00 61.69 62.36 1chq s THR 92 Cb 0.08 -0.39 0.01 0.00 0.01 0.00 0.00 72.50 72.21 1chq s THR 92 CO 0.18 -0.02 1.11 -2.16 -0.69 0.00 0.00 174.62 173.04 1chq s PRO 93 N 2.22 2.69 0.23 4.92 0.04 -1.26 -5.08 135.00 138.75 1chq s PRO 93 Ca 0.04 1.36 -0.31 0.00 0.04 0.00 0.00 61.00 62.13 1chq s PRO 93 Cb -0.14 -1.94 -0.14 0.00 0.04 0.00 0.00 34.50 32.32 1chq s PRO 93 CO -0.07 -1.33 1.29 0.72 0.04 0.00 0.00 177.00 177.65 1chq n HIS 94 N -2.61 1.82 -3.15 0.56 8.25 -1.23 -4.52 115.22 114.34 1chq n HIS 94 Ca 0.10 0.54 -0.39 0.00 -0.26 0.00 0.00 57.72 57.71 1chq n HIS 94 Cb 0.52 -2.38 -0.05 0.00 1.12 0.00 0.00 29.99 29.20 1chq n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1chq s ALA 95 N -0.24 3.42 0.17 -1.41 0.00 -1.11 -2.12 121.76 120.48 1chq s ALA 95 Ca 0.68 -0.04 -0.31 0.00 0.00 0.00 0.00 51.96 52.29 1chq s ALA 95 Cb -0.71 -2.86 -0.09 0.00 0.00 0.00 0.00 23.12 19.46 1chq s ALA 95 CO 0.52 -0.15 1.40 0.42 0.00 0.00 0.00 175.76 177.95 1chq s ILE 96 N 0.95 3.06 -0.11 0.00 1.01 -0.33 0.15 121.20 125.93 1chq s ILE 96 Ca 0.32 0.82 0.05 0.00 0.00 0.00 0.00 60.65 61.84 1chq s ILE 96 Cb -0.16 -3.52 -0.10 0.00 0.01 0.00 0.00 42.46 38.68 1chq s ILE 96 CO 0.14 0.09 -0.03 0.00 0.00 0.00 0.00 174.94 175.15 1chq n ALA 97 N 3.23 1.75 -3.17 9.38 0.00 0.23 -4.81 120.51 127.13 1chq n ALA 97 Ca 0.09 -0.60 -0.11 0.00 0.00 0.00 0.00 53.44 52.82 1chq n ALA 97 Cb 0.42 0.12 -0.04 0.00 0.00 0.00 0.00 19.45 19.94 1chq n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1chq s ALA 98 N -2.24 -1.19 -0.02 0.00 0.00 -0.93 -4.97 121.76 112.42 1chq s ALA 98 Ca -0.10 0.21 -0.02 0.00 0.00 0.00 0.00 51.96 52.05 1chq s ALA 98 Cb 0.04 0.70 0.00 0.00 0.00 0.00 0.00 23.12 23.86 1chq s ALA 98 CO 0.35 -0.65 0.06 -1.50 0.00 0.00 0.00 175.76 174.01 1chq s ILE 99 N -3.55 0.01 -0.05 0.00 2.07 -1.26 -1.73 121.20 116.68 1chq s ILE 99 Ca 0.01 -0.05 0.07 0.00 -1.41 0.00 0.00 60.65 59.26 1chq s ILE 99 Cb 0.01 -0.10 -0.01 0.00 0.13 0.00 0.00 42.46 42.48 1chq s ILE 99 CO -0.11 -0.03 -0.25 -0.94 -1.91 0.00 0.00 174.94 171.70 1chq s SER 100 N -0.06 3.06 -0.08 4.50 1.04 -0.53 -5.01 113.70 116.61 1chq s SER 100 Ca -0.01 -0.50 0.04 0.00 0.48 0.00 0.00 55.95 55.96 1chq s SER 100 Cb -0.01 -0.73 0.00 0.00 0.10 0.00 0.00 66.02 65.39 1chq s SER 100 CO 0.00 0.26 -0.20 -0.04 0.98 0.00 0.00 173.24 174.24 1chq s MET 101 N -0.26 2.57 -0.16 4.02 1.00 -1.26 -0.69 119.30 124.52 1chq s MET 101 Ca -0.01 -0.74 -0.06 0.00 0.00 0.00 0.00 55.69 54.88 1chq s MET 101 Cb -0.13 -2.00 0.07 0.00 0.00 0.00 0.00 34.83 32.77 1chq s MET 101 CO 0.03 0.15 0.35 0.00 0.00 0.00 0.00 175.02 175.55 1chq s ALA 102 N 0.38 -0.88 -2.00 3.03 0.00 -1.23 -4.92 121.76 116.14 1chq s ALA 102 Ca -0.16 1.28 0.07 0.00 0.00 0.00 0.00 51.96 53.14 1chq s ALA 102 Cb -0.17 -1.08 0.40 0.00 0.00 0.00 0.00 23.12 22.28 1chq s ALA 102 CO 0.07 -0.56 0.86 0.27 0.00 0.00 0.00 175.76 176.40