#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 3.91 -0.31 -2.82 0.04 -1.26 -4.95 135.00 129.61 1chq s PRO 2 Ca 0.00 2.24 0.10 0.00 0.04 0.00 0.00 61.00 63.37 1chq s PRO 2 Cb 0.00 -2.74 0.60 0.00 0.04 0.00 0.00 34.50 32.40 1chq s PRO 2 CO 0.00 -0.57 1.63 1.04 0.04 0.00 0.00 177.00 179.14 1chq n GLN 3 N 0.07 2.57 -3.61 4.56 6.02 -1.26 -4.84 117.38 120.88 1chq n GLN 3 Ca 0.04 -3.07 -0.04 0.00 -0.01 0.00 0.00 57.00 53.92 1chq n GLN 3 Cb 0.43 -1.99 -0.03 0.00 1.02 0.00 0.00 30.24 29.67 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 -1.82 -0.11 0.40 1.08 2.20 -1.26 -5.06 114.94 110.37 1chq s ASN 4 Ca 0.49 0.03 0.15 0.00 -0.94 0.00 0.00 52.86 52.60 1chq s ASN 4 Cb 0.42 0.11 1.02 0.00 -2.00 0.00 0.00 41.25 40.79 1chq s ASN 4 CO 0.07 -0.16 1.84 -0.29 -2.94 0.00 0.00 177.10 175.62 1chq h ILE 5 N 2.05 0.68 0.46 0.54 2.10 -1.96 -0.46 117.51 120.91 1chq h ILE 5 Ca -0.08 -0.16 -0.02 0.00 1.08 0.00 0.00 64.86 65.68 1chq h ILE 5 Cb 1.16 0.16 0.00 0.00 -1.09 0.00 0.00 36.82 37.06 1chq h ILE 5 CO 0.22 0.09 -0.22 0.71 -1.08 0.00 0.00 178.15 177.87 1chq h THR 6 N 0.48 0.49 0.01 2.19 1.35 -1.98 0.41 112.91 115.85 1chq h THR 6 Ca 0.49 -0.38 0.02 0.00 -0.55 0.00 0.00 66.41 65.99 1chq h THR 6 Cb 1.13 0.65 -0.02 0.00 -1.73 0.00 0.00 68.15 68.18 1chq h THR 6 CO -0.22 0.06 -0.11 0.44 -0.25 0.00 0.00 175.52 175.45 1chq h ASP 7 N -0.86 -0.31 -0.99 5.36 3.32 -1.90 -1.21 116.42 119.83 1chq h ASP 7 Ca -0.06 0.05 0.15 0.00 0.02 0.00 0.00 57.03 57.18 1chq h ASP 7 Cb 0.57 0.13 -0.09 0.00 0.22 0.00 0.00 39.33 40.16 1chq h ASP 7 CO 0.10 -0.16 0.62 0.25 -1.72 0.00 0.00 179.24 178.33 1chq h LEU 8 N -0.19 0.84 -1.28 1.55 6.46 -1.02 0.17 115.31 121.84 1chq h LEU 8 Ca 0.04 0.06 -0.05 0.00 -0.12 0.00 0.00 57.88 57.81 1chq h LEU 8 Cb 0.24 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 40.06 1chq h LEU 8 CO -0.11 0.40 -0.25 0.00 -0.62 0.00 0.00 178.44 177.86 1chq h ALA 10 N 1.75 1.00 -0.02 0.00 0.00 0.47 -3.18 119.26 119.29 1chq h ALA 10 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1chq h ALA 10 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1chq h ALA 10 CO 0.03 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.67 1chq n GLU 11 N -2.53 1.49 -4.43 0.00 1.02 -1.11 -4.94 120.64 110.13 1chq n GLU 11 Ca 0.01 -0.71 -0.29 0.00 -0.02 0.00 0.00 57.16 56.16 1chq n GLU 11 Cb 0.23 -1.48 -0.07 0.00 -0.02 0.00 0.00 31.44 30.10 1chq n GLU 11 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1chq s TYR 12 N -1.99 2.17 -0.56 -0.32 2.02 -1.20 -5.09 117.35 112.38 1chq s TYR 12 Ca 0.40 -0.78 -0.28 0.00 -0.37 0.00 0.00 57.07 56.04 1chq s TYR 12 Cb 0.21 -1.79 0.03 0.00 -0.40 0.00 0.00 41.96 40.01 1chq s TYR 12 CO 0.34 0.16 1.19 -1.58 -1.57 0.00 0.00 175.55 174.08 1chq s HIS 13 N -2.75 2.64 -1.19 2.71 2.46 -1.26 -4.34 115.29 113.56 1chq s HIS 13 Ca 0.26 0.48 -0.08 0.00 0.47 0.00 0.00 55.06 56.19 1chq s HIS 13 Cb 0.04 -4.50 -0.02 0.00 -0.13 0.00 0.00 32.58 27.96 1chq s HIS 13 CO 0.14 -1.53 0.79 0.09 -2.47 0.00 0.00 174.74 171.76 1chq n ASN 14 N 8.34 -3.73 -4.83 9.88 5.03 -1.26 -4.86 115.26 123.83 1chq n ASN 14 Ca 0.09 -0.84 -0.22 0.00 0.87 0.00 0.00 54.58 54.48 1chq n ASN 14 Cb 0.49 -4.19 -0.04 0.00 -1.02 0.00 0.00 39.78 35.02 1chq n ASN 14 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1chq s THR 15 N -3.53 3.80 -0.12 3.41 -4.23 -1.26 -1.75 115.64 111.96 1chq s THR 15 Ca 0.25 -1.43 -0.12 0.00 -1.18 0.00 0.00 61.69 59.21 1chq s THR 15 Cb -0.06 -3.23 0.03 0.00 1.34 0.00 0.00 72.50 70.58 1chq s THR 15 CO 0.81 -0.24 0.34 0.00 -0.54 0.00 0.00 174.62 174.98 1chq s GLN 16 N -3.92 0.42 -0.10 3.99 -2.07 0.32 -4.83 119.66 113.47 1chq s GLN 16 Ca 0.38 0.40 -0.18 0.00 -1.82 0.00 0.00 55.36 54.14 1chq s GLN 16 Cb -0.06 0.20 -0.04 0.00 -1.09 0.00 0.00 33.01 32.02 1chq s GLN 16 CO 0.25 -0.06 0.48 0.42 -1.32 0.00 0.00 175.29 175.06 1chq s ILE 17 N 0.02 5.16 -0.11 3.63 -1.09 -1.26 -1.09 121.20 126.47 1chq s ILE 17 Ca -0.01 0.96 0.03 0.00 -2.23 0.00 0.00 60.65 59.40 1chq s ILE 17 Cb -0.03 -3.82 -0.00 0.00 -1.58 0.00 0.00 42.46 37.03 1chq s ILE 17 CO 0.01 0.35 -0.22 -1.00 -1.23 0.00 0.00 174.94 172.85 1chq s HIS 18 N 0.44 2.60 -0.22 3.97 3.76 -0.18 -4.96 115.29 120.70 1chq s HIS 18 Ca 0.26 -0.99 -0.10 0.00 -0.15 0.00 0.00 55.06 54.08 1chq s HIS 18 Cb -0.15 -1.73 -0.05 0.00 1.11 0.00 0.00 32.58 31.76 1chq s HIS 18 CO 0.11 -0.39 0.14 0.99 -0.85 0.00 0.00 174.74 174.74 1chq s THR 19 N 0.35 5.33 -0.07 1.30 2.01 -1.26 -1.04 115.64 122.26 1chq s THR 19 Ca -0.18 0.17 -0.03 0.00 0.31 0.00 0.00 61.69 61.96 1chq s THR 19 Cb -0.18 -3.46 -0.03 0.00 0.01 0.00 0.00 72.50 68.84 1chq s THR 19 CO 0.08 0.39 -0.09 0.18 -0.69 0.00 0.00 174.62 174.50 1chq n LEU 20 N 3.91 0.54 -3.87 4.42 7.99 0.32 -5.00 117.00 125.31 1chq n LEU 20 Ca -0.16 0.08 -0.30 0.00 -0.01 0.00 0.00 56.01 55.62 1chq n LEU 20 Cb 0.52 -0.20 0.01 0.00 -0.11 0.00 0.00 43.42 43.64 1chq n LEU 20 CO 0.36 0.15 0.06 0.59 -1.51 0.00 0.00 177.39 177.04 1chq n ASN 21 N -3.30 -4.42 -4.14 -1.43 3.02 0.06 -4.94 115.26 100.11 1chq n ASN 21 Ca -0.14 -0.75 -0.11 0.00 -0.03 0.00 0.00 54.58 53.55 1chq n ASN 21 Cb 0.60 -3.56 -0.09 0.00 -0.61 0.00 0.00 39.78 36.12 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 -3.18 0.14 0.52 6.41 2.15 -1.05 -4.85 116.67 116.81 1chq s ASP 22 Ca 0.64 -1.25 -0.03 0.00 0.43 0.00 0.00 52.55 52.33 1chq s ASP 22 Cb -0.33 0.40 -0.00 0.00 -0.30 0.00 0.00 42.92 42.69 1chq s ASP 22 CO 0.78 -0.86 0.80 -1.59 -0.17 0.00 0.00 175.17 174.13 1chq s LYS 23 N -4.10 3.07 0.28 4.34 -2.85 -1.26 -0.14 119.74 119.07 1chq s LYS 23 Ca 0.32 -0.15 -0.29 0.00 -1.00 0.00 0.00 55.97 54.84 1chq s LYS 23 Cb 0.06 -2.39 -0.10 0.00 -2.06 0.00 0.00 37.83 33.34 1chq s LYS 23 CO 0.09 -0.46 1.15 0.42 0.10 0.00 0.00 175.35 176.65 1chq s ILE 24 N -2.79 3.34 -0.04 3.79 1.01 -1.26 -4.59 121.20 120.65 1chq s ILE 24 Ca 0.51 1.32 -0.12 0.00 0.00 0.00 0.00 60.65 62.35 1chq s ILE 24 Cb -0.10 -3.84 -0.31 0.00 0.01 0.00 0.00 42.46 38.22 1chq s ILE 24 CO 0.42 0.30 0.70 0.15 0.00 0.00 0.00 174.94 176.52 1chq h PHE 25 N 3.91 0.74 -3.51 3.97 3.57 -0.95 -3.48 116.94 121.19 1chq h PHE 25 Ca -0.47 -0.54 -0.08 0.00 3.53 0.00 0.00 57.97 60.42 1chq h PHE 25 Cb 1.21 -0.03 -0.15 0.00 2.79 0.00 0.00 35.95 39.78 1chq h PHE 25 CO 0.59 1.65 -0.24 -1.54 -2.23 0.00 0.00 178.31 176.54 1chq s SER 26 N -7.31 -0.07 -0.04 0.41 1.04 -1.18 -5.00 113.70 101.55 1chq s SER 26 Ca -0.15 -0.39 0.02 0.00 0.48 0.00 0.00 55.95 55.90 1chq s SER 26 Cb 0.05 0.39 0.01 0.00 0.10 0.00 0.00 66.02 66.57 1chq s SER 26 CO 0.86 -0.73 -0.07 -0.47 0.98 0.00 0.00 173.24 173.81 1chq s TYR 27 N -3.40 0.92 -0.06 5.02 5.04 -1.26 -2.98 117.35 120.63 1chq s TYR 27 Ca 0.01 -0.27 0.03 0.00 -2.44 0.00 0.00 57.07 54.40 1chq s TYR 27 Cb 0.02 -0.72 0.01 0.00 0.35 0.00 0.00 41.96 41.62 1chq s TYR 27 CO -0.09 -0.17 -0.14 0.99 -1.34 0.00 0.00 175.55 174.81 1chq s THR 28 N 0.59 1.24 -0.08 4.34 2.01 0.14 -4.99 115.64 118.90 1chq s THR 28 Ca -0.09 -0.56 0.03 0.00 0.31 0.00 0.00 61.69 61.39 1chq s THR 28 Cb -0.12 -1.12 0.00 0.00 0.01 0.00 0.00 72.50 71.27 1chq s THR 28 CO 0.01 0.38 -0.19 -0.70 -0.69 0.00 0.00 174.62 173.43 1chq s GLU 29 N 0.52 2.35 -0.08 4.92 2.12 -1.26 -0.91 118.70 126.37 1chq s GLU 29 Ca -0.13 -0.67 0.02 0.00 0.36 0.00 0.00 54.97 54.56 1chq s GLU 29 Cb -0.15 -1.86 0.01 0.00 0.26 0.00 0.00 34.13 32.39 1chq s GLU 29 CO 0.04 0.14 -0.14 0.45 -0.54 0.00 0.00 175.26 175.20 1chq s SER 30 N 0.41 2.06 -0.08 -1.70 0.15 0.40 -4.99 113.70 109.95 1chq s SER 30 Ca -0.15 -0.35 0.15 0.00 0.70 0.00 0.00 55.95 56.30 1chq s SER 30 Cb -0.16 -0.94 0.50 0.00 -1.71 0.00 0.00 66.02 63.70 1chq s SER 30 CO 0.06 0.05 1.42 0.00 1.20 0.00 0.00 173.24 175.96 1chq n LEU 31 N 3.84 3.74 -4.60 3.45 -0.00 -1.26 -1.93 117.00 120.23 1chq n LEU 31 Ca -0.22 -2.38 -0.43 0.00 -0.00 0.00 0.00 56.01 52.99 1chq n LEU 31 Cb 0.52 -0.42 -0.03 0.00 -0.00 0.00 0.00 43.42 43.49 1chq n LEU 31 CO 0.25 0.76 1.46 0.00 -0.00 0.00 0.00 177.39 179.86 1chq s ALA 32 N -1.69 2.89 0.00 1.47 0.00 -1.26 -4.86 121.76 118.31 1chq s ALA 32 Ca 0.37 0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.44 1chq s ALA 32 Cb 0.24 -4.01 0.00 0.00 0.00 0.00 0.00 23.12 19.35 1chq s ALA 32 CO 0.18 -2.62 0.00 0.41 0.00 0.00 0.00 175.76 173.73 1chq n GLY 33 N 5.34 0.00 4.41 0.00 0.00 -1.26 -2.82 105.19 110.86 1chq n GLY 33 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 0.00 0.00 -1.45 1.61 0.00 -1.26 -4.66 118.16 112.40 1chq n LYS 34 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 58.31 57.96 1chq n LYS 34 Cb 0.00 -0.29 0.07 0.00 -0.00 0.00 0.00 35.03 34.81 1chq n LYS 34 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1chq n ASP 35 N 1.10 7.51 -4.52 -5.58 5.75 -1.13 -4.97 116.55 114.71 1chq n ASP 35 Ca 0.00 -3.79 -0.42 0.00 -0.01 0.00 0.00 54.79 50.57 1chq n ASP 35 Cb 0.00 -0.95 -0.06 0.00 -1.03 0.00 0.00 41.12 39.08 1chq n ASP 35 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1chq n GLU 36 N -0.86 1.03 -4.07 0.11 4.71 -1.25 -4.72 120.64 115.59 1chq n GLU 36 Ca 0.61 0.16 -0.09 0.00 -0.01 0.00 0.00 57.16 57.83 1chq n GLU 36 Cb 0.63 -2.84 -0.10 0.00 -1.01 0.00 0.00 31.44 28.11 1chq n GLU 36 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1chq s MET 37 N 7.55 0.55 -0.09 3.49 0.23 -0.81 -4.58 119.30 125.63 1chq s MET 37 Ca 1.08 -1.01 0.03 0.00 -1.03 0.00 0.00 55.69 54.75 1chq s MET 37 Cb -0.55 0.06 0.01 0.00 -1.53 0.00 0.00 34.83 32.82 1chq s MET 37 CO 0.37 -0.06 -0.17 0.00 -2.03 0.00 0.00 175.02 173.13 1chq s ALA 38 N -2.88 1.72 -0.04 3.16 0.00 -1.26 -0.45 121.76 122.00 1chq s ALA 38 Ca -0.01 -0.71 0.04 0.00 0.00 0.00 0.00 51.96 51.28 1chq s ALA 38 Cb 0.00 -0.74 -0.00 0.00 0.00 0.00 0.00 23.12 22.38 1chq s ALA 38 CO -0.05 0.11 -0.17 0.42 0.00 0.00 0.00 175.76 176.07 1chq s ILE 39 N 0.67 1.39 0.07 0.00 1.01 -0.09 -2.79 121.20 121.46 1chq s ILE 39 Ca -0.13 -0.69 0.07 0.00 0.00 0.00 0.00 60.65 59.89 1chq s ILE 39 Cb -0.16 -1.20 -0.03 0.00 0.01 0.00 0.00 42.46 41.08 1chq s ILE 39 CO 0.04 0.40 -0.18 0.27 0.00 0.00 0.00 174.94 175.47 1chq s ILE 40 N 0.04 1.44 0.05 2.92 -4.36 -0.72 -0.68 121.20 119.89 1chq s ILE 40 Ca -0.04 -1.30 0.03 0.00 -0.26 0.00 0.00 60.65 59.09 1chq s ILE 40 Cb -0.11 -1.30 -0.03 0.00 1.25 0.00 0.00 42.46 42.27 1chq s ILE 40 CO 0.02 -0.03 -0.09 0.42 0.24 0.00 0.00 174.94 175.50 1chq s THR 41 N -1.04 0.68 0.29 8.37 -4.23 -1.16 -0.85 115.64 117.70 1chq s THR 41 Ca 0.04 -1.16 0.07 0.00 -1.18 0.00 0.00 61.69 59.45 1chq s THR 41 Cb -0.09 -0.75 -0.03 0.00 1.34 0.00 0.00 72.50 72.97 1chq s THR 41 CO 0.03 -0.36 0.31 -0.36 -0.54 0.00 0.00 174.62 173.70 1chq s PHE 42 N -1.42 3.11 0.54 3.99 0.40 -0.04 -0.28 117.98 124.28 1chq s PHE 42 Ca -0.07 -0.17 0.28 0.00 -0.60 0.00 0.00 56.93 56.36 1chq s PHE 42 Cb -0.10 -1.67 1.44 0.00 0.51 0.00 0.00 43.02 43.20 1chq s PHE 42 CO 0.01 0.30 1.95 1.57 0.70 0.00 0.00 175.22 179.75 1chq h LYS 43 N 1.24 0.00 -0.00 0.44 2.10 -1.90 -0.38 116.57 118.07 1chq h LYS 43 Ca -0.47 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 1chq h LYS 43 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 1chq h LYS 43 CO 0.58 0.00 0.00 0.27 -2.00 0.00 0.00 179.45 178.30 1chq n ASN 44 N -4.25 0.00 0.00 7.07 6.94 -1.26 -4.84 115.26 118.93 1chq n ASN 44 Ca 0.12 -1.32 0.00 0.00 -0.02 0.00 0.00 54.58 53.37 1chq n ASN 44 Cb 0.72 -0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.14 1chq n ASN 44 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1chq n GLY 45 N 0.16 2.87 3.73 4.83 0.00 -0.15 -5.01 105.19 111.61 1chq n GLY 45 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.62 1.98 -2.77 4.61 0.00 -1.26 -4.74 120.51 117.71 1chq n ALA 46 Ca 0.00 0.37 -0.23 0.00 0.00 0.00 0.00 53.44 53.58 1chq n ALA 46 Cb 0.00 -2.37 -0.15 0.00 0.00 0.00 0.00 19.45 16.92 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 -0.47 1.11 0.11 0.00 2.01 -1.26 -0.86 115.64 116.28 1chq s THR 47 Ca 0.61 -0.57 0.01 0.00 0.31 0.00 0.00 61.69 62.05 1chq s THR 47 Cb -0.54 -0.95 -0.04 0.00 0.01 0.00 0.00 72.50 70.98 1chq s THR 47 CO 0.55 0.32 -0.05 -0.36 -0.69 0.00 0.00 174.62 174.40 1chq s PHE 48 N -0.10 0.92 0.03 4.92 0.08 -0.03 -4.09 117.98 119.70 1chq s PHE 48 Ca 0.01 -0.96 -0.04 0.00 0.12 0.00 0.00 56.93 56.06 1chq s PHE 48 Cb -0.08 -0.54 -0.01 0.00 -0.57 0.00 0.00 43.02 41.82 1chq s PHE 48 CO 0.00 -0.19 0.07 1.14 -0.10 0.00 0.00 175.22 176.13 1chq s GLN 49 N -3.86 0.50 -0.12 0.44 -2.07 -0.74 -1.76 119.66 112.05 1chq s GLN 49 Ca 0.14 -0.68 -0.14 0.00 -1.82 0.00 0.00 55.36 52.86 1chq s GLN 49 Cb 0.06 0.19 -0.05 0.00 -1.09 0.00 0.00 33.01 32.12 1chq s GLN 49 CO -0.03 -0.11 0.33 0.08 -1.32 0.00 0.00 175.29 174.24 1chq s VAL 50 N -2.18 5.24 0.30 3.63 1.01 -1.12 -1.44 120.40 125.85 1chq s VAL 50 Ca -0.09 0.65 -0.30 0.00 0.00 0.00 0.00 61.98 62.24 1chq s VAL 50 Cb -0.04 -3.66 -0.11 0.00 0.00 0.00 0.00 36.38 32.57 1chq s VAL 50 CO -0.03 0.44 1.59 -1.61 0.00 0.00 0.00 175.10 175.49 1chq s GLU 51 N 0.03 4.12 0.18 2.72 2.02 -1.26 -4.52 118.70 121.99 1chq s GLU 51 Ca 0.19 2.58 -0.31 0.00 0.02 0.00 0.00 54.97 57.46 1chq s GLU 51 Cb -0.14 -3.02 -0.09 0.00 0.10 0.00 0.00 34.13 30.98 1chq s GLU 51 CO 0.07 -0.63 1.39 0.08 0.02 0.00 0.00 175.26 176.19 1chq s VAL 52 N -0.11 3.07 -0.84 2.63 1.01 -1.26 -4.90 120.40 120.00 1chq s VAL 52 Ca 0.62 0.84 -0.21 0.00 0.00 0.00 0.00 61.98 63.23 1chq s VAL 52 Cb -0.48 -3.53 -0.19 0.00 0.00 0.00 0.00 36.38 32.18 1chq s VAL 52 CO 0.49 0.10 2.11 -0.81 0.00 0.00 0.00 175.10 176.99 1chq n PRO 53 N 3.12 0.25 -2.27 2.72 -0.04 -1.26 -4.98 135.00 132.54 1chq n PRO 53 Ca 0.09 -0.98 -0.33 0.00 -0.04 0.00 0.00 63.50 62.24 1chq n PRO 53 Cb 0.42 -3.16 -0.01 0.00 -0.04 0.00 0.00 33.50 30.70 1chq n PRO 53 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1chq s GLY 54 N 7.44 2.26 0.18 0.55 0.00 -1.26 -4.97 107.32 111.52 1chq s GLY 54 Ca 0.82 0.44 0.09 0.00 0.00 0.00 0.00 44.72 46.07 1chq s GLY 54 CO 0.17 0.76 1.41 1.48 0.00 0.00 0.00 173.10 176.92 1chq h SER 55 N 0.91 0.00 0.23 1.64 4.64 -1.96 -3.25 113.55 115.76 1chq h SER 55 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1chq h SER 55 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1chq h SER 55 CO 0.58 0.84 0.00 0.06 -0.87 0.00 0.00 176.83 177.45 1chq h GLN 56 N 0.00 0.00 -5.85 4.77 -0.00 -2.02 -3.42 115.11 108.60 1chq h GLN 56 Ca -0.01 0.00 -0.65 0.00 -0.00 0.00 0.00 58.65 57.99 1chq h GLN 56 Cb 1.50 0.00 -0.08 0.00 -0.00 0.00 0.00 27.48 28.90 1chq h GLN 56 CO 0.11 0.00 -0.53 -3.38 -0.00 0.00 0.00 178.83 175.03 1chq s HIS 57 N -3.80 3.45 0.99 0.06 -3.43 -1.23 -5.09 115.29 106.24 1chq s HIS 57 Ca -0.02 0.33 -0.16 0.00 -0.80 0.00 0.00 55.06 54.41 1chq s HIS 57 Cb 0.10 -1.82 -0.04 0.00 -1.43 0.00 0.00 32.58 29.39 1chq s HIS 57 CO 0.36 0.62 -0.22 0.44 -2.00 0.00 0.00 174.74 173.95 1chq n ILE 58 N 1.32 0.00 0.16 -5.38 -5.35 -1.26 -4.80 119.36 104.04 1chq n ILE 58 Ca -0.14 -0.30 0.03 0.00 -0.27 0.00 0.00 62.75 62.06 1chq n ILE 58 Cb 0.53 -0.34 0.21 0.00 -1.74 0.00 0.00 39.64 38.30 1chq n ILE 58 CO 0.00 0.00 0.00 0.44 -1.76 0.00 0.00 176.55 175.23 1chq h ASP 59 N -1.36 0.00 0.36 7.28 3.32 -1.94 -2.53 116.42 121.54 1chq h ASP 59 Ca -0.44 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.54 1chq h ASP 59 Cb 1.30 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.84 1chq h ASP 59 CO 0.29 0.49 -0.31 0.77 -1.72 0.00 0.00 179.24 178.77 1chq h SER 60 N 0.00 0.00 0.57 6.45 4.64 -1.99 0.56 113.55 123.77 1chq h SER 60 Ca -0.00 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.21 1chq h SER 60 Cb 1.09 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.17 1chq h SER 60 CO 0.06 0.31 -0.48 1.56 -0.87 0.00 0.00 176.83 177.41 1chq h GLN 61 N 0.00 0.00 0.00 4.77 1.08 -1.79 -1.46 115.11 117.70 1chq h GLN 61 Ca -0.00 0.00 -0.20 0.00 -1.45 0.00 0.00 58.65 57.00 1chq h GLN 61 Cb 0.57 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.97 1chq h GLN 61 CO 0.04 0.48 -0.93 0.87 -0.95 0.00 0.00 178.83 178.34 1chq h LYS 62 N 0.00 0.00 -0.02 1.46 1.57 -0.90 -2.49 116.57 116.20 1chq h LYS 62 Ca -0.00 -0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.60 1chq h LYS 62 Cb 0.89 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.19 1chq h LYS 62 CO 0.06 0.93 -0.77 1.57 -0.57 0.00 0.00 179.45 180.67 1chq h LYS 63 N 0.00 0.19 -0.11 3.15 5.09 -0.63 -2.50 116.57 121.76 1chq h LYS 63 Ca -0.01 -0.18 -0.02 0.00 0.09 0.00 0.00 60.65 60.54 1chq h LYS 63 Cb 1.65 0.04 -0.00 0.00 0.10 0.00 0.00 32.23 34.01 1chq h LYS 63 CO 0.12 0.87 -0.01 0.00 -2.09 0.00 0.00 179.45 178.34 1chq h ALA 64 N 1.08 0.14 -0.94 0.07 0.00 -1.30 0.25 119.26 118.56 1chq h ALA 64 Ca -0.03 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.73 1chq h ALA 64 Cb 1.35 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 19.04 1chq h ALA 64 CO 0.12 -0.15 0.61 0.82 0.00 0.00 0.00 179.25 180.64 1chq h ILE 65 N -0.10 1.13 -0.47 0.00 2.04 -1.48 -0.66 117.51 117.98 1chq h ILE 65 Ca 0.03 -0.39 -0.13 0.00 1.00 0.00 0.00 64.86 65.37 1chq h ILE 65 Cb 0.38 -0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.33 1chq h ILE 65 CO 0.01 0.21 -0.22 -0.33 0.00 0.00 0.00 178.15 177.82 1chq h GLU 66 N 1.15 0.95 -0.39 2.37 4.39 -1.22 -2.76 114.58 119.08 1chq h GLU 66 Ca 0.38 -0.41 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 1chq h GLU 66 Cb 0.06 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 1chq h GLU 66 CO -0.14 1.07 0.21 -0.09 -1.16 0.00 0.00 179.01 178.90 1chq h ARG 67 N 0.82 0.55 -0.92 2.33 2.43 -0.22 -2.72 114.38 116.66 1chq h ARG 67 Ca 0.11 -0.07 0.11 0.00 -0.81 0.00 0.00 59.98 59.31 1chq h ARG 67 Cb 0.79 -0.11 -0.08 0.00 -0.42 0.00 0.00 29.97 30.15 1chq h ARG 67 CO 0.07 0.46 0.56 1.98 -1.51 0.00 0.00 179.97 181.52 1chq h MET 68 N 0.50 0.89 0.00 0.20 4.05 -1.05 0.64 114.93 120.17 1chq h MET 68 Ca 0.14 -0.05 -0.09 0.00 -0.28 0.00 0.00 59.70 59.42 1chq h MET 68 Cb 0.07 -0.20 -0.01 0.00 -0.80 0.00 0.00 31.60 30.66 1chq h MET 68 CO -0.02 0.59 -0.41 0.87 0.23 0.00 0.00 176.91 178.17 1chq h LYS 69 N 0.92 0.00 -0.10 0.39 1.57 -1.23 -1.30 116.57 116.81 1chq h LYS 69 Ca 0.45 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 59.15 1chq h LYS 69 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.72 1chq h LYS 69 CO -0.25 0.41 -0.25 -0.44 -0.57 0.00 0.00 179.45 178.35 1chq h ASP 70 N 0.00 0.40 -0.89 0.86 3.32 -0.77 -1.90 116.42 117.44 1chq h ASP 70 Ca -0.00 -0.58 0.06 0.00 0.02 0.00 0.00 57.03 56.52 1chq h ASP 70 Cb 0.74 -0.11 -0.06 0.00 0.22 0.00 0.00 39.33 40.11 1chq h ASP 70 CO 0.05 0.91 0.56 0.74 -1.72 0.00 0.00 179.24 179.78 1chq h THR 71 N -0.10 1.06 -0.28 0.35 2.02 -0.58 0.11 112.91 115.49 1chq h THR 71 Ca -0.00 -0.35 -0.17 0.00 0.77 0.00 0.00 66.41 66.65 1chq h THR 71 Cb 0.86 -0.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.21 1chq h THR 71 CO 0.05 0.19 -0.50 -0.07 0.37 0.00 0.00 175.52 175.56 1chq h LEU 72 N 1.03 0.92 0.32 2.58 3.38 -1.22 0.24 115.31 122.54 1chq h LEU 72 Ca 0.39 -0.53 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 1chq h LEU 72 Cb 0.16 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1chq h LEU 72 CO -0.17 1.27 -0.15 -0.09 0.09 0.00 0.00 178.44 179.39 1chq h ARG 73 N 0.59 -0.41 0.00 1.13 2.43 -0.86 0.24 114.38 117.50 1chq h ARG 73 Ca 0.02 0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.17 1chq h ARG 73 Cb 1.10 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.74 1chq h ARG 73 CO 0.11 -0.20 -0.22 0.97 -1.51 0.00 0.00 179.97 179.12 1chq h ILE 74 N -0.53 1.07 -0.24 1.20 6.09 -0.79 -0.49 117.51 123.82 1chq h ILE 74 Ca -0.04 -0.77 -0.20 0.00 -1.37 0.00 0.00 64.86 62.48 1chq h ILE 74 Cb 0.40 1.43 0.00 0.00 0.47 0.00 0.00 36.82 39.12 1chq h ILE 74 CO 0.07 0.22 -0.62 0.00 -3.07 0.00 0.00 178.15 174.74 1chq h ALA 75 N 1.78 0.44 -0.24 0.18 0.00 -0.78 -1.54 119.26 119.09 1chq h ALA 75 Ca -0.00 -0.54 -0.03 0.00 0.00 0.00 0.00 54.91 54.33 1chq h ALA 75 Cb 0.41 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1chq h ALA 75 CO 0.03 0.68 0.03 -0.92 0.00 0.00 0.00 179.25 179.08 1chq h TYR 76 N 0.61 0.44 -0.34 0.00 3.20 -0.38 -1.11 116.97 119.38 1chq h TYR 76 Ca -0.01 -0.06 -0.06 0.00 3.14 0.00 0.00 58.73 61.73 1chq h TYR 76 Cb 1.23 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 39.37 1chq h TYR 76 CO 0.07 0.54 -0.06 -0.07 -1.64 0.00 0.00 178.16 177.00 1chq h LEU 77 N 0.21 0.54 -0.90 2.82 3.38 -1.03 -2.86 115.31 117.46 1chq h LEU 77 Ca 0.07 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1chq h LEU 77 Cb 0.34 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1chq h LEU 77 CO 0.01 0.65 -0.17 0.35 0.09 0.00 0.00 178.44 179.37 1chq n THR 78 N -4.23 0.00 -3.07 0.22 -2.24 -0.59 -4.97 114.28 99.41 1chq n THR 78 Ca 0.01 -0.23 -0.16 0.00 -2.27 0.00 0.00 64.05 61.40 1chq n THR 78 Cb 0.29 0.68 0.04 0.00 -2.10 0.00 0.00 70.33 69.25 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 -4.68 -2.28 -0.78 1.02 -0.50 -4.97 120.64 108.42 1chq n GLU 79 Ca 0.14 0.60 -0.41 0.00 -0.02 0.00 0.00 57.16 57.47 1chq n GLU 79 Cb 0.40 -4.88 -0.03 0.00 -0.02 0.00 0.00 31.44 26.90 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 -3.12 3.48 -0.26 0.62 0.00 -0.73 -4.83 121.76 116.91 1chq s ALA 80 Ca 0.33 1.05 -0.29 0.00 0.00 0.00 0.00 51.96 53.05 1chq s ALA 80 Cb -0.14 -3.44 -0.00 0.00 0.00 0.00 0.00 23.12 19.53 1chq s ALA 80 CO 0.41 -0.46 1.30 0.21 0.00 0.00 0.00 175.76 177.22 1chq s LYS 81 N -0.48 4.00 -0.11 0.00 2.20 -1.26 -4.30 119.74 119.80 1chq s LYS 81 Ca 0.53 1.38 -0.22 0.00 -0.36 0.00 0.00 55.97 57.29 1chq s LYS 81 Cb -0.35 -3.85 -0.03 0.00 -1.51 0.00 0.00 37.83 32.09 1chq s LYS 81 CO 0.40 -1.00 0.67 0.14 -0.36 0.00 0.00 175.35 175.20 1chq s VAL 82 N 4.14 5.04 -0.01 4.02 -7.23 0.80 -3.53 120.40 123.64 1chq s VAL 82 Ca 0.56 1.36 -0.02 0.00 -1.81 0.00 0.00 61.98 62.07 1chq s VAL 82 Cb -0.18 -4.01 -0.01 0.00 0.56 0.00 0.00 36.38 32.74 1chq s VAL 82 CO 0.21 0.21 0.29 -0.08 -0.31 0.00 0.00 175.10 175.41 1chq h GLU 83 N 6.95 -0.06 -4.80 4.82 4.81 -0.98 0.28 114.58 125.60 1chq h GLU 83 Ca -0.38 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 58.58 1chq h GLU 83 Cb 1.18 0.01 -0.15 0.00 0.63 0.00 0.00 28.75 30.42 1chq h GLU 83 CO 0.77 -0.04 -0.68 0.15 -0.73 0.00 0.00 179.01 178.47 1chq s LYS 84 N -1.73 1.02 -0.02 1.92 1.02 -1.23 -0.52 119.74 120.20 1chq s LYS 84 Ca -0.01 -1.46 0.04 0.00 0.02 0.00 0.00 55.97 54.57 1chq s LYS 84 Cb 0.00 -0.32 -0.01 0.00 -0.52 0.00 0.00 37.83 36.98 1chq s LYS 84 CO 0.03 -0.06 -0.15 -0.51 -0.92 0.00 0.00 175.35 173.74 1chq s LEU 85 N -3.13 1.99 -0.26 3.17 1.43 -0.21 -1.64 118.68 120.03 1chq s LEU 85 Ca 0.19 -0.27 -0.03 0.00 -1.03 0.00 0.00 54.13 52.99 1chq s LEU 85 Cb 0.05 -0.77 0.02 0.00 0.03 0.00 0.00 46.19 45.52 1chq s LEU 85 CO 0.01 0.17 -0.03 0.00 0.23 0.00 0.00 176.35 176.73 1chq s VAL 87 N 1.37 1.66 -0.24 0.00 -7.23 -0.25 -0.29 120.40 115.43 1chq s VAL 87 Ca 0.01 -2.16 -0.20 0.00 -1.81 0.00 0.00 61.98 57.83 1chq s VAL 87 Cb -0.17 -2.30 -0.02 0.00 0.56 0.00 0.00 36.38 34.45 1chq s VAL 87 CO -0.03 -0.40 0.60 0.26 -0.31 0.00 0.00 175.10 175.22 1chq s TRP 88 N -3.01 3.30 -0.05 2.82 0.51 0.15 -0.52 118.94 122.14 1chq s TRP 88 Ca 0.27 0.81 0.26 0.00 -2.12 0.00 0.00 56.10 55.31 1chq s TRP 88 Cb 0.02 -2.80 0.81 0.00 -0.81 0.00 0.00 33.47 30.69 1chq s TRP 88 CO 0.10 -0.28 1.78 -2.95 -0.51 0.00 0.00 176.95 175.09 1chq h ASN 89 N 7.81 0.00 0.00 2.95 7.08 -1.66 -3.25 115.58 128.51 1chq h ASN 89 Ca -0.28 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.94 1chq h ASN 89 Cb 1.13 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.37 1chq h ASN 89 CO 0.76 0.13 0.00 -0.46 -2.08 0.00 0.00 177.43 175.79 1chq n ASN 90 N -3.21 1.12 -4.10 6.14 6.94 -1.26 -4.70 115.26 116.20 1chq n ASN 90 Ca 0.01 -1.28 -0.08 0.00 -0.02 0.00 0.00 54.58 53.22 1chq n ASN 90 Cb 0.45 -0.32 -0.10 0.00 -2.36 0.00 0.00 39.78 37.45 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 -0.49 0.72 -0.25 -3.83 -0.14 -1.24 -5.09 119.74 109.42 1chq s LYS 91 Ca 0.00 -1.27 -0.04 0.00 -1.36 0.00 0.00 55.97 53.29 1chq s LYS 91 Cb 0.00 0.23 0.13 0.00 -1.68 0.00 0.00 37.83 36.51 1chq s LYS 91 CO 0.00 -0.17 0.48 0.99 -0.76 0.00 0.00 175.35 175.89 1chq s THR 92 N -3.96 -0.77 0.76 2.17 2.01 -1.26 -3.71 115.64 110.88 1chq s THR 92 Ca 0.12 0.02 -0.14 0.00 0.31 0.00 0.00 61.69 62.00 1chq s THR 92 Cb 0.08 -0.84 0.06 0.00 0.01 0.00 0.00 72.50 71.80 1chq s THR 92 CO -0.06 -0.02 1.19 -2.16 -0.69 0.00 0.00 174.62 172.87 1chq s PRO 93 N 2.69 1.97 0.22 4.92 0.04 -1.26 -5.09 135.00 138.50 1chq s PRO 93 Ca 0.08 1.69 -0.32 0.00 0.04 0.00 0.00 61.00 62.49 1chq s PRO 93 Cb -0.14 -1.82 -0.12 0.00 0.04 0.00 0.00 34.50 32.46 1chq s PRO 93 CO -0.17 -1.95 1.70 0.72 0.04 0.00 0.00 177.00 177.35 1chq n HIS 94 N -3.00 2.76 -2.72 0.56 8.25 -1.24 -4.63 115.22 115.20 1chq n HIS 94 Ca 0.13 0.08 -0.42 0.00 -0.26 0.00 0.00 57.72 57.25 1chq n HIS 94 Cb 0.51 -2.66 -0.03 0.00 1.12 0.00 0.00 29.99 28.93 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 0.95 3.36 0.26 -1.41 0.00 -1.23 -1.79 121.76 121.90 1chq s ALA 95 Ca 0.73 0.38 -0.30 0.00 0.00 0.00 0.00 51.96 52.77 1chq s ALA 95 Cb -0.51 -3.38 -0.09 0.00 0.00 0.00 0.00 23.12 19.14 1chq s ALA 95 CO 0.35 -0.51 1.14 0.42 0.00 0.00 0.00 175.76 177.16 1chq s ILE 96 N 1.77 3.45 0.00 0.00 1.01 -0.52 0.31 121.20 127.22 1chq s ILE 96 Ca 0.48 1.39 0.00 0.00 0.00 0.00 0.00 60.65 62.52 1chq s ILE 96 Cb -0.19 -3.89 0.00 0.00 0.01 0.00 0.00 42.46 38.40 1chq s ILE 96 CO 0.20 0.30 0.00 0.00 0.00 0.00 0.00 174.94 175.44 1chq n ALA 97 N 1.51 1.97 -3.13 9.38 0.00 0.61 -4.67 120.51 126.17 1chq n ALA 97 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.33 1chq n ALA 97 Cb 0.45 0.28 -0.05 0.00 0.00 0.00 0.00 19.45 20.13 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 -1.96 -1.07 -0.07 0.00 0.00 -0.84 -4.97 121.76 112.85 1chq s ALA 98 Ca 0.00 0.21 -0.13 0.00 0.00 0.00 0.00 51.96 52.04 1chq s ALA 98 Cb 0.00 0.55 0.03 0.00 0.00 0.00 0.00 23.12 23.69 1chq s ALA 98 CO 0.00 -0.57 0.31 -1.50 0.00 0.00 0.00 175.76 174.00 1chq s ILE 99 N -3.16 0.03 0.09 0.00 2.07 -1.26 -1.25 121.20 117.71 1chq s ILE 99 Ca -0.01 -0.22 0.07 0.00 -1.41 0.00 0.00 60.65 59.08 1chq s ILE 99 Cb 0.00 -0.52 -0.03 0.00 0.13 0.00 0.00 42.46 42.04 1chq s ILE 99 CO -0.07 -0.12 -0.18 -0.94 -1.91 0.00 0.00 174.94 171.71 1chq s SER 100 N -0.51 2.21 0.04 4.50 1.04 -0.65 -4.98 113.70 115.35 1chq s SER 100 Ca -0.06 -0.65 0.04 0.00 0.48 0.00 0.00 55.95 55.75 1chq s SER 100 Cb -0.04 -0.11 -0.02 0.00 0.10 0.00 0.00 66.02 65.95 1chq s SER 100 CO 0.02 0.01 -0.11 -0.04 0.98 0.00 0.00 173.24 174.11 1chq s MET 101 N -1.81 0.71 -0.23 4.02 -1.94 -1.26 -0.36 119.30 118.43 1chq s MET 101 Ca 0.03 -0.71 -0.34 0.00 -1.71 0.00 0.00 55.69 52.96 1chq s MET 101 Cb -0.10 -0.63 0.16 0.00 2.01 0.00 0.00 34.83 36.27 1chq s MET 101 CO 0.03 0.15 1.26 0.00 -0.01 0.00 0.00 175.02 176.45 1chq s ALA 102 N -1.00 -2.10 -0.94 3.03 0.00 -1.23 -4.83 121.76 114.69 1chq s ALA 102 Ca -0.03 1.74 0.07 0.00 0.00 0.00 0.00 51.96 53.74 1chq s ALA 102 Cb -0.08 -0.58 0.06 0.00 0.00 0.00 0.00 23.12 22.52 1chq s ALA 102 CO 0.01 -0.47 0.74 0.09 0.00 0.00 0.00 175.76 176.13