#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mgq s VAL 9 N 0.00 0.58 0.36 5.15 -7.23 -1.26 -4.92 120.40 113.08 1mgq s VAL 9 Ca 0.00 -0.95 -0.28 0.00 -1.81 0.00 0.00 61.98 58.94 1mgq s VAL 9 Cb 0.00 -0.61 -0.12 0.00 0.56 0.00 0.00 36.38 36.21 1mgq s VAL 9 CO 0.00 -0.28 1.39 -3.20 -0.31 0.00 0.00 175.10 172.71 1mgq n ASN 10 N 1.70 3.30 0.03 4.85 2.85 -1.26 -4.87 115.26 121.86 1mgq n ASN 10 Ca -0.21 1.22 0.04 0.00 -0.11 0.00 0.00 54.58 55.52 1mgq n ASN 10 Cb 0.55 -1.55 0.18 0.00 1.24 0.00 0.00 39.78 40.19 1mgq n ASN 10 CO 0.00 0.00 0.00 1.33 -2.11 0.00 0.00 177.26 176.48 1mgq n VAL 11 N 0.41 1.58 0.26 3.44 0.24 -1.26 -1.67 118.33 121.33 1mgq n VAL 11 Ca 0.03 0.47 0.04 0.00 -2.04 0.00 0.00 64.34 62.84 1mgq n VAL 11 Cb 0.37 -1.41 0.05 0.00 -1.47 0.00 0.00 33.84 31.38 1mgq n VAL 11 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1mgq n GLN 12 N -1.65 0.60 -3.27 7.34 6.02 -1.26 -4.80 117.38 120.36 1mgq n GLN 12 Ca 0.01 -1.14 -0.25 0.00 -0.01 0.00 0.00 57.00 55.60 1mgq n GLN 12 Cb 0.05 -1.16 -0.07 0.00 1.02 0.00 0.00 30.24 30.08 1mgq n GLN 12 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1mgq n ARG 13 N 0.42 1.94 -0.33 -1.09 1.74 -0.67 -4.96 116.66 113.71 1mgq n ARG 13 Ca 0.05 -4.15 0.04 0.00 -0.77 0.00 0.00 57.85 53.03 1mgq n ARG 13 Cb 0.23 -1.89 0.23 0.00 -1.02 0.00 0.00 32.46 30.01 1mgq n ARG 13 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1mgq h PRO 14 N 3.86 1.03 0.00 5.56 0.13 -1.87 -1.23 132.00 139.48 1mgq h PRO 14 Ca 0.14 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1mgq h PRO 14 Cb 0.73 -0.23 0.00 0.00 0.13 0.00 0.00 31.00 31.63 1mgq h PRO 14 CO 0.69 0.68 0.00 -0.07 -0.23 0.00 0.00 178.00 179.07 1mgq h LEU 15 N 1.06 0.00 -1.91 1.56 3.38 -1.95 -1.66 115.31 115.79 1mgq h LEU 15 Ca 0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.39 1mgq h LEU 15 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1mgq h LEU 15 CO -0.17 0.00 0.00 0.44 0.09 0.00 0.00 178.44 178.80 1mgq h ASP 16 N 0.00 0.00 0.02 -0.43 3.32 -1.62 -0.82 116.42 116.89 1mgq h ASP 16 Ca 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 1mgq h ASP 16 Cb 0.09 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.64 1mgq h ASP 16 CO 0.00 0.00 -0.01 0.00 -1.72 0.00 0.00 179.24 177.51 1mgq h ALA 17 N 2.00 1.59 -0.06 3.45 0.00 -1.48 -1.44 119.26 123.32 1mgq h ALA 17 Ca 0.00 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.69 1mgq h ALA 17 Cb 0.00 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.80 1mgq h ALA 17 CO 0.00 0.01 -0.80 -0.07 0.00 0.00 0.00 179.25 178.39 1mgq h LEU 18 N 0.00 0.81 -1.11 0.00 3.38 -1.37 -3.03 115.31 114.00 1mgq h LEU 18 Ca -0.00 -0.70 0.02 0.00 0.09 0.00 0.00 57.88 57.30 1mgq h LEU 18 Cb 0.02 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.48 1mgq h LEU 18 CO 0.00 1.39 0.60 1.23 0.09 0.00 0.00 178.44 181.75 1mgq h GLY 19 N 0.30 1.31 2.00 0.83 0.00 -1.46 -0.32 103.07 105.72 1mgq h GLY 19 Ca -0.08 -0.47 0.00 0.00 0.00 0.00 0.00 47.33 46.78 1mgq h GLY 19 CO 0.16 0.43 0.00 3.43 0.00 0.00 0.00 176.54 180.56 1mgq h ASN 20 N 1.19 0.00 -0.02 0.19 2.35 -1.18 -2.73 115.58 115.38 1mgq h ASN 20 Ca 0.35 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.10 1mgq h ASN 20 Cb -0.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.31 1mgq h ASN 20 CO -0.09 0.00 -0.21 -1.20 -1.65 0.00 0.00 177.43 174.27 1mgq n SER 21 N -3.05 2.55 -4.62 5.81 7.64 -0.17 -4.98 113.62 116.79 1mgq n SER 21 Ca -0.01 -1.78 -0.48 0.00 1.01 0.00 0.00 58.87 57.62 1mgq n SER 21 Cb 0.22 0.21 -0.04 0.00 -1.01 0.00 0.00 64.21 63.59 1mgq n SER 21 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1mgq n LEU 22 N 0.72 2.29 -1.31 -3.43 4.77 -0.98 -1.79 117.00 117.28 1mgq n LEU 22 Ca 0.12 1.13 -0.15 0.00 -0.03 0.00 0.00 56.01 57.08 1mgq n LEU 22 Cb 0.54 -1.31 -0.05 0.00 -2.33 0.00 0.00 43.42 40.27 1mgq n LEU 22 CO 0.21 -0.83 -0.16 0.59 -1.33 0.00 0.00 177.39 175.87 1mgq n ASN 23 N 2.39 -4.76 -4.30 -1.43 3.02 0.14 -4.98 115.26 105.34 1mgq n ASN 23 Ca 0.15 0.28 -0.16 0.00 -0.03 0.00 0.00 54.58 54.81 1mgq n ASN 23 Cb 0.26 -3.67 -0.10 0.00 -0.61 0.00 0.00 39.78 35.66 1mgq n ASN 23 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1mgq s SER 24 N -2.71 1.90 0.33 6.41 0.01 -0.74 -4.87 113.70 114.04 1mgq s SER 24 Ca 0.00 -1.11 -0.29 0.00 1.31 0.00 0.00 55.95 55.86 1mgq s SER 24 Cb 0.00 -0.02 -0.10 0.00 0.21 0.00 0.00 66.02 66.11 1mgq s SER 24 CO 0.00 -0.40 1.32 -2.84 0.41 0.00 0.00 173.24 171.73 1mgq s PRO 25 N -3.79 4.34 0.22 12.44 0.02 -1.26 -1.33 135.00 145.64 1mgq s PRO 25 Ca 0.23 2.24 0.01 0.00 0.02 0.00 0.00 61.00 63.49 1mgq s PRO 25 Cb 0.04 -3.07 -0.05 0.00 0.02 0.00 0.00 34.50 31.44 1mgq s PRO 25 CO 0.05 -0.22 0.08 0.14 -0.33 0.00 0.00 177.00 176.73 1mgq s VAL 26 N -1.07 0.42 -0.12 3.83 -7.23 0.48 -4.65 120.40 112.07 1mgq s VAL 26 Ca 0.50 -1.99 0.03 0.00 -1.81 0.00 0.00 61.98 58.71 1mgq s VAL 26 Cb -0.40 -2.48 0.01 0.00 0.56 0.00 0.00 36.38 34.07 1mgq s VAL 26 CO 0.53 -0.11 -0.22 -0.63 -0.31 0.00 0.00 175.10 174.36 1mgq s ILE 27 N -3.85 1.97 -0.15 -0.62 1.01 0.13 -2.60 121.20 117.10 1mgq s ILE 27 Ca 0.35 -0.94 0.01 0.00 0.00 0.00 0.00 60.65 60.07 1mgq s ILE 27 Cb 0.07 -1.73 0.00 0.00 0.01 0.00 0.00 42.46 40.82 1mgq s ILE 27 CO 0.11 0.54 -0.18 -0.63 0.00 0.00 0.00 174.94 174.77 1mgq s ILE 28 N 0.62 2.37 -0.20 2.92 -1.09 0.10 -1.09 121.20 124.83 1mgq s ILE 28 Ca -0.12 -0.87 -0.06 0.00 -2.23 0.00 0.00 60.65 57.36 1mgq s ILE 28 Cb -0.17 -1.98 -0.03 0.00 -1.58 0.00 0.00 42.46 38.71 1mgq s ILE 28 CO 0.03 0.53 0.03 -0.75 -1.23 0.00 0.00 174.94 173.55 1mgq s LYS 29 N 0.84 3.74 0.40 2.79 2.47 -0.33 -0.95 119.74 128.71 1mgq s LYS 29 Ca -0.06 -0.46 0.08 0.00 -1.56 0.00 0.00 55.97 53.97 1mgq s LYS 29 Cb -0.15 -3.15 -0.02 0.00 -1.46 0.00 0.00 37.83 33.05 1mgq s LYS 29 CO -0.02 0.08 0.40 -0.51 0.16 0.00 0.00 175.35 175.47 1mgq s LEU 30 N 0.85 3.49 0.39 5.43 1.43 0.23 -0.50 118.68 130.00 1mgq s LEU 30 Ca 0.02 -0.63 -0.26 0.00 -1.03 0.00 0.00 54.13 52.23 1mgq s LEU 30 Cb -0.14 -2.21 -0.11 0.00 0.03 0.00 0.00 46.19 43.76 1mgq s LEU 30 CO 0.02 -0.61 1.25 0.29 0.23 0.00 0.00 176.35 177.52 1mgq n LYS 31 N -1.57 1.93 -0.85 1.70 5.02 0.30 -1.91 118.16 122.78 1mgq n LYS 31 Ca 0.03 0.68 0.00 0.00 -2.02 0.00 0.00 58.31 57.01 1mgq n LYS 31 Cb 0.61 -2.32 0.00 0.00 -0.02 0.00 0.00 35.03 33.30 1mgq n LYS 31 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1mgq n GLY 32 N 0.84 0.50 2.27 0.72 0.00 -1.26 -3.98 105.19 104.28 1mgq n GLY 32 Ca 0.06 -0.69 -0.10 0.00 0.00 0.00 0.00 46.02 45.30 1mgq n GLY 32 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1mgq n ASP 33 N 1.25 -4.06 -4.79 1.61 4.64 -0.80 -4.99 116.55 109.41 1mgq n ASP 33 Ca 0.00 0.21 -0.38 0.00 -1.38 0.00 0.00 54.79 53.23 1mgq n ASP 33 Cb 0.00 -2.54 -0.06 0.00 -1.04 0.00 0.00 41.12 37.48 1mgq n ASP 33 CO 0.00 0.00 0.00 -0.13 -0.82 0.00 0.00 177.20 176.25 1mgq s ARG 34 N -3.05 4.50 -0.07 -0.67 0.52 -1.16 -4.87 118.95 114.16 1mgq s ARG 34 Ca 0.00 1.11 0.04 0.00 -0.52 0.00 0.00 55.73 56.36 1mgq s ARG 34 Cb 0.00 -3.13 -0.00 0.00 0.52 0.00 0.00 34.95 32.34 1mgq s ARG 34 CO 0.00 0.51 -0.20 -2.00 0.02 0.00 0.00 175.30 173.63 1mgq s GLU 35 N -1.42 2.33 -0.02 3.54 2.12 -1.24 0.76 118.70 124.78 1mgq s GLU 35 Ca 0.39 -0.71 0.07 0.00 0.36 0.00 0.00 54.97 55.08 1mgq s GLU 35 Cb -0.21 -1.88 -0.02 0.00 0.26 0.00 0.00 34.13 32.28 1mgq s GLU 35 CO 0.25 0.20 -0.23 -0.06 -0.54 0.00 0.00 175.26 174.88 1mgq s PHE 36 N 0.23 2.10 -0.03 5.30 0.08 -0.12 0.04 117.98 125.58 1mgq s PHE 36 Ca -0.11 -0.40 0.04 0.00 0.12 0.00 0.00 56.93 56.59 1mgq s PHE 36 Cb -0.15 -1.35 -0.01 0.00 -0.57 0.00 0.00 43.02 40.94 1mgq s PHE 36 CO 0.05 -0.03 -0.17 1.03 -0.10 0.00 0.00 175.22 176.00 1mgq s ARG 37 N -0.56 1.63 -0.02 0.44 0.52 -0.31 0.03 118.95 120.69 1mgq s ARG 37 Ca 0.09 -0.60 -0.12 0.00 -0.52 0.00 0.00 55.73 54.58 1mgq s ARG 37 Cb -0.09 -1.46 0.04 0.00 0.52 0.00 0.00 34.95 33.95 1mgq s ARG 37 CO -0.01 0.27 0.54 0.41 0.02 0.00 0.00 175.30 176.53 1mgq n GLY 38 N 3.01 0.42 3.65 -3.53 0.00 -1.07 -0.29 105.19 107.39 1mgq n GLY 38 Ca -0.17 -0.92 -0.39 0.00 0.00 0.00 0.00 46.02 44.55 1mgq n GLY 38 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1mgq s VAL 39 N -2.08 5.16 -0.04 1.61 1.01 -0.24 -0.38 120.40 125.43 1mgq s VAL 39 Ca 0.13 0.76 -0.30 0.00 0.00 0.00 0.00 61.98 62.57 1mgq s VAL 39 Cb -0.00 -3.76 -0.05 0.00 0.00 0.00 0.00 36.38 32.57 1mgq s VAL 39 CO -0.00 0.20 1.43 -0.22 0.00 0.00 0.00 175.10 176.50 1mgq s LEU 40 N 1.63 4.29 -0.14 3.92 2.96 -0.45 -1.05 118.68 129.86 1mgq s LEU 40 Ca 0.20 2.06 0.11 0.00 -0.22 0.00 0.00 54.13 56.28 1mgq s LEU 40 Cb -0.15 -3.55 -0.16 0.00 0.50 0.00 0.00 46.19 42.83 1mgq s LEU 40 CO 0.09 -0.77 0.03 0.29 -1.32 0.00 0.00 176.35 174.67 1mgq n LYS 41 N 5.93 1.69 -3.61 1.98 4.76 0.34 0.25 118.16 129.49 1mgq n LYS 41 Ca 0.14 0.00 -0.06 0.00 -2.87 0.00 0.00 58.31 55.52 1mgq n LYS 41 Cb 0.44 -1.34 -0.02 0.00 -1.84 0.00 0.00 35.03 32.27 1mgq n LYS 41 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1mgq s SER 42 N -4.73 -0.29 0.05 4.39 1.04 -1.24 -4.83 113.70 108.08 1mgq s SER 42 Ca -0.08 -0.19 -0.27 0.00 0.48 0.00 0.00 55.95 55.89 1mgq s SER 42 Cb 0.04 0.45 0.09 0.00 0.10 0.00 0.00 66.02 66.70 1mgq s SER 42 CO 0.53 -0.78 0.83 0.72 0.98 0.00 0.00 173.24 175.53 1mgq s PHE 43 N -3.25 -0.36 0.38 5.02 -0.12 -1.26 -1.67 117.98 116.73 1mgq s PHE 43 Ca 0.08 0.18 0.04 0.00 -0.05 0.00 0.00 56.93 57.17 1mgq s PHE 43 Cb -0.01 0.56 -0.04 0.00 -0.63 0.00 0.00 43.02 42.90 1mgq s PHE 43 CO -0.04 -0.66 0.09 0.16 -0.05 0.00 0.00 175.22 174.72 1mgq s ASP 44 N -2.60 2.65 0.63 1.98 1.47 -0.97 -5.01 116.67 114.82 1mgq s ASP 44 Ca 0.05 -1.55 0.34 0.00 1.18 0.00 0.00 52.55 52.58 1mgq s ASP 44 Cb -0.01 0.26 1.93 0.00 -0.34 0.00 0.00 42.92 44.76 1mgq s ASP 44 CO -0.08 -0.79 2.18 0.17 0.68 0.00 0.00 175.17 177.33 1mgq h LEU 45 N 1.91 0.00 -0.09 2.11 -0.00 -2.01 -0.33 115.31 116.90 1mgq h LEU 45 Ca -0.38 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.50 1mgq h LEU 45 Cb 1.26 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.92 1mgq h LEU 45 CO 0.63 0.00 -0.00 1.41 -0.00 0.00 0.00 178.44 180.48 1mgq n HIS 46 N -3.41 0.00 -1.21 0.17 8.25 -1.26 -4.89 115.22 112.88 1mgq n HIS 46 Ca -0.01 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.38 1mgq n HIS 46 Cb 0.22 -0.01 -0.03 0.00 1.12 0.00 0.00 29.99 31.29 1mgq n HIS 46 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 1mgq n MET 47 N -0.90 -1.14 -1.90 -0.41 2.81 -0.13 -4.12 117.12 111.32 1mgq n MET 47 Ca 0.23 0.67 -0.40 0.00 -1.81 0.00 0.00 57.70 56.39 1mgq n MET 47 Cb 0.14 -4.71 0.01 0.00 -0.71 0.00 0.00 33.22 27.95 1mgq n MET 47 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 1mgq s ASN 48 N -2.43 6.08 0.04 7.83 0.01 -1.26 -3.37 114.94 121.84 1mgq s ASN 48 Ca 0.00 2.82 -0.16 0.00 -0.71 0.00 0.00 52.86 54.81 1mgq s ASN 48 Cb 0.00 -2.65 0.03 0.00 0.41 0.00 0.00 41.25 39.04 1mgq s ASN 48 CO 0.00 -1.02 0.37 -1.48 -1.51 0.00 0.00 177.10 173.45 1mgq s LEU 49 N -2.56 0.59 -0.12 0.60 0.05 -0.35 -2.30 118.68 114.58 1mgq s LEU 49 Ca 0.59 -0.07 0.00 0.00 0.05 0.00 0.00 54.13 54.70 1mgq s LEU 49 Cb -0.42 1.59 -0.02 0.00 -2.05 0.00 0.00 46.19 45.30 1mgq s LEU 49 CO 0.54 -0.64 -0.13 -0.69 -0.55 0.00 0.00 176.35 174.87 1mgq s VAL 50 N -2.50 3.09 0.10 1.48 1.01 -0.67 -0.32 120.40 122.60 1mgq s VAL 50 Ca -0.05 -0.66 0.07 0.00 0.00 0.00 0.00 61.98 61.34 1mgq s VAL 50 Cb -0.01 -2.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 1mgq s VAL 50 CO -0.03 0.53 -0.08 -0.76 0.00 0.00 0.00 175.10 174.77 1mgq s LEU 51 N 0.18 3.13 0.23 3.92 1.43 -0.03 -0.51 118.68 127.04 1mgq s LEU 51 Ca -0.07 -0.34 0.07 0.00 -1.03 0.00 0.00 54.13 52.76 1mgq s LEU 51 Cb -0.15 -1.91 -0.04 0.00 0.03 0.00 0.00 46.19 44.12 1mgq s LEU 51 CO 0.05 0.18 0.11 0.20 0.23 0.00 0.00 176.35 177.12 1mgq s ASN 52 N -2.22 5.19 -1.54 2.29 0.01 -0.21 -0.94 114.94 117.51 1mgq s ASN 52 Ca 0.22 -0.35 -0.13 0.00 -0.71 0.00 0.00 52.86 51.90 1mgq s ASN 52 Cb -0.11 -1.22 0.09 0.00 0.41 0.00 0.00 41.25 40.41 1mgq s ASN 52 CO 0.15 0.01 0.89 0.47 -1.51 0.00 0.00 177.10 177.10 1mgq n ASP 53 N -0.83 -3.93 -4.82 -1.22 8.00 -1.07 -1.08 116.55 111.61 1mgq n ASP 53 Ca -0.08 -0.84 -0.34 0.00 0.71 0.00 0.00 54.79 54.24 1mgq n ASP 53 Cb 0.57 -3.62 -0.07 0.00 -0.02 0.00 0.00 41.12 37.98 1mgq n ASP 53 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1mgq s ALA 54 N -3.37 3.12 0.03 2.24 0.00 -0.16 -4.58 121.76 119.04 1mgq s ALA 54 Ca 0.58 0.37 0.04 0.00 0.00 0.00 0.00 51.96 52.95 1mgq s ALA 54 Cb -0.30 -3.10 -0.02 0.00 0.00 0.00 0.00 23.12 19.71 1mgq s ALA 54 CO 0.85 0.17 -0.11 -1.21 0.00 0.00 0.00 175.76 175.47 1mgq s GLU 55 N -2.90 0.72 -0.14 0.00 2.02 0.60 -0.25 118.70 118.76 1mgq s GLU 55 Ca 0.58 -0.67 -0.06 0.00 0.02 0.00 0.00 54.97 54.84 1mgq s GLU 55 Cb -0.11 -0.65 -0.04 0.00 0.10 0.00 0.00 34.13 33.42 1mgq s GLU 55 CO 0.16 0.16 0.09 -2.00 0.02 0.00 0.00 175.26 173.68 1mgq s GLU 56 N -1.12 3.55 -0.02 1.61 2.12 0.08 -1.16 118.70 123.76 1mgq s GLU 56 Ca -0.02 -0.25 0.02 0.00 0.36 0.00 0.00 54.97 55.08 1mgq s GLU 56 Cb -0.08 -3.13 -0.03 0.00 0.26 0.00 0.00 34.13 31.15 1mgq s GLU 56 CO 0.01 0.59 -0.05 -0.51 -0.54 0.00 0.00 175.26 174.76 1mgq s LEU 57 N -0.51 3.29 -0.07 2.70 1.02 0.11 -0.24 118.68 124.98 1mgq s LEU 57 Ca 0.11 -0.06 -0.03 0.00 0.02 0.00 0.00 54.13 54.18 1mgq s LEU 57 Cb -0.12 -1.83 0.04 0.00 0.02 0.00 0.00 46.19 44.30 1mgq s LEU 57 CO 0.02 0.31 0.15 -1.61 0.02 0.00 0.00 176.35 175.24 1mgq s GLU 58 N -1.25 0.07 -1.42 1.70 2.02 0.24 -3.62 118.70 116.44 1mgq s GLU 58 Ca 0.16 0.43 -0.05 0.00 0.02 0.00 0.00 54.97 55.53 1mgq s GLU 58 Cb -0.11 -0.21 0.04 0.00 0.10 0.00 0.00 34.13 33.94 1mgq s GLU 58 CO 0.06 -0.21 0.71 -3.47 0.02 0.00 0.00 175.26 172.37 1mgq n ASP 59 N 4.55 -2.04 -1.29 -0.19 2.03 -1.26 -1.57 116.55 116.78 1mgq n ASP 59 Ca -0.20 -0.87 -0.13 0.00 0.52 0.00 0.00 54.79 54.10 1mgq n ASP 59 Cb 0.51 -3.64 -0.03 0.00 -0.72 0.00 0.00 41.12 37.23 1mgq n ASP 59 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1mgq n GLY 60 N -1.70 0.60 3.15 0.27 0.00 -1.26 -5.00 105.19 101.25 1mgq n GLY 60 Ca -0.19 -0.36 -0.12 0.00 0.00 0.00 0.00 46.02 45.35 1mgq n GLY 60 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1mgq s GLU 61 N -3.92 0.45 -0.41 1.61 2.12 -0.61 -5.10 118.70 112.84 1mgq s GLU 61 Ca 0.00 -0.05 -0.28 0.00 0.36 0.00 0.00 54.97 54.99 1mgq s GLU 61 Cb 0.00 0.20 -0.00 0.00 0.26 0.00 0.00 34.13 34.59 1mgq s GLU 61 CO 0.00 -0.10 1.58 0.08 -0.54 0.00 0.00 175.26 176.28 1mgq s VAL 62 N -0.77 3.71 -1.04 3.70 1.01 -1.26 -0.59 120.40 125.16 1mgq s VAL 62 Ca -0.09 0.70 0.24 0.00 0.00 0.00 0.00 61.98 62.83 1mgq s VAL 62 Cb -0.05 -4.01 -0.02 0.00 0.00 0.00 0.00 36.38 32.30 1mgq s VAL 62 CO 0.02 -0.68 1.33 0.35 0.00 0.00 0.00 175.10 176.12 1mgq n THR 63 N 7.20 0.00 -3.64 3.92 -2.24 0.67 -4.93 114.28 115.26 1mgq n THR 63 Ca 0.19 -0.01 -0.07 0.00 -2.27 0.00 0.00 64.05 61.89 1mgq n THR 63 Cb 0.48 0.39 -0.07 0.00 -2.10 0.00 0.00 70.33 69.03 1mgq n THR 63 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1mgq s ARG 64 N -2.98 0.50 -0.24 -0.78 3.52 -1.23 -4.99 118.95 112.76 1mgq s ARG 64 Ca 0.11 0.70 -0.09 0.00 -0.13 0.00 0.00 55.73 56.31 1mgq s ARG 64 Cb 0.17 0.19 -0.04 0.00 -1.56 0.00 0.00 34.95 33.71 1mgq s ARG 64 CO 0.72 -0.08 0.13 0.50 -0.81 0.00 0.00 175.30 175.76 1mgq s ARG 65 N 0.71 3.94 -0.02 5.12 3.52 -1.26 -0.74 118.95 130.21 1mgq s ARG 65 Ca -0.02 -0.34 0.15 0.00 -0.13 0.00 0.00 55.73 55.39 1mgq s ARG 65 Cb -0.05 -3.45 -0.22 0.00 -1.56 0.00 0.00 34.95 29.67 1mgq s ARG 65 CO -0.10 0.00 0.38 1.28 -0.81 0.00 0.00 175.30 176.06 1mgq n LEU 66 N 4.43 0.12 0.00 -0.88 4.77 0.66 -5.00 117.00 121.09 1mgq n LEU 66 Ca -0.15 -0.08 0.00 0.00 -0.03 0.00 0.00 56.01 55.74 1mgq n LEU 66 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1mgq n LEU 66 CO 0.34 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 1mgq n GLY 67 N 1.59 1.55 3.73 -0.72 0.00 -1.19 -4.67 105.19 105.48 1mgq n GLY 67 Ca -0.02 -0.47 -0.41 0.00 0.00 0.00 0.00 46.02 45.12 1mgq n GLY 67 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mgq s THR 68 N 0.00 4.60 -0.05 2.61 2.01 -1.26 -0.99 115.64 122.56 1mgq s THR 68 Ca 0.00 1.90 -0.05 0.00 0.31 0.00 0.00 61.69 63.85 1mgq s THR 68 Cb 0.00 -4.24 0.01 0.00 0.01 0.00 0.00 72.50 68.28 1mgq s THR 68 CO 0.00 0.33 0.14 0.54 -0.69 0.00 0.00 174.62 174.94 1mgq s VAL 69 N 0.00 -0.00 -0.31 3.82 0.11 -0.12 -4.98 120.40 118.92 1mgq s VAL 69 Ca 0.44 0.01 -0.10 0.00 -2.93 0.00 0.00 61.98 59.39 1mgq s VAL 69 Cb -0.22 -0.20 -0.01 0.00 -1.53 0.00 0.00 36.38 34.41 1mgq s VAL 69 CO 0.27 0.00 0.16 -0.22 -3.33 0.00 0.00 175.10 171.98 1mgq s LEU 70 N 0.12 4.11 -0.21 2.54 2.96 -1.26 -0.85 118.68 126.08 1mgq s LEU 70 Ca -0.00 -0.45 -0.09 0.00 -0.22 0.00 0.00 54.13 53.36 1mgq s LEU 70 Cb -0.01 -2.02 -0.05 0.00 0.50 0.00 0.00 46.19 44.61 1mgq s LEU 70 CO -0.00 -0.18 0.11 -0.63 -1.32 0.00 0.00 176.35 174.34 1mgq s ILE 71 N 1.64 5.15 0.10 6.68 1.01 0.57 -4.96 121.20 131.39 1mgq s ILE 71 Ca 0.05 0.10 -0.31 0.00 0.00 0.00 0.00 60.65 60.49 1mgq s ILE 71 Cb -0.17 -3.36 -0.07 0.00 0.01 0.00 0.00 42.46 38.88 1mgq s ILE 71 CO 0.07 0.42 1.23 -0.13 0.00 0.00 0.00 174.94 176.53 1mgq s ARG 72 N 0.60 4.43 0.53 2.79 0.52 -1.26 -1.21 118.95 125.35 1mgq s ARG 72 Ca 0.06 1.86 0.21 0.00 -0.52 0.00 0.00 55.73 57.34 1mgq s ARG 72 Cb -0.12 -3.30 1.38 0.00 0.52 0.00 0.00 34.95 33.43 1mgq s ARG 72 CO 0.01 -0.25 2.11 0.78 0.02 0.00 0.00 175.30 177.97 1mgq h GLY 73 N 6.38 0.00 2.00 -3.53 0.00 -1.71 -2.93 103.07 103.29 1mgq h GLY 73 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.91 1mgq h GLY 73 CO 0.80 0.00 0.00 -1.80 0.00 0.00 0.00 176.54 175.54 1mgq h ASP 74 N 0.00 0.00 0.09 0.19 3.58 -1.88 -0.86 116.42 117.54 1mgq h ASP 74 Ca 0.08 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.53 1mgq h ASP 74 Cb 0.35 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.40 1mgq h ASP 74 CO -0.00 0.00 -0.33 0.59 -2.88 0.00 0.00 179.24 176.62 1mgq n ASN 75 N -2.91 1.64 -4.74 2.28 3.02 -1.11 -4.96 115.26 108.48 1mgq n ASN 75 Ca -0.01 -1.28 -0.40 0.00 -0.03 0.00 0.00 54.58 52.85 1mgq n ASN 75 Cb 0.16 0.28 -0.05 0.00 -0.61 0.00 0.00 39.78 39.57 1mgq n ASN 75 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1mgq s ILE 76 N -2.43 4.70 -0.18 2.41 1.01 -0.33 -0.54 121.20 125.83 1mgq s ILE 76 Ca 0.23 1.78 -0.18 0.00 0.00 0.00 0.00 60.65 62.48 1mgq s ILE 76 Cb 0.19 -4.19 -0.14 0.00 0.01 0.00 0.00 42.46 38.33 1mgq s ILE 76 CO 0.52 0.33 0.11 0.58 0.00 0.00 0.00 174.94 176.48 1mgq h VAL 77 N 4.19 0.65 -3.18 2.92 2.07 -1.08 -3.45 116.25 118.36 1mgq h VAL 77 Ca -0.43 -1.81 -0.05 0.00 0.82 0.00 0.00 66.70 65.22 1mgq h VAL 77 Cb 1.21 1.56 -0.14 0.00 -1.52 0.00 0.00 31.29 32.39 1mgq h VAL 77 CO 0.72 0.22 -0.03 -0.72 0.02 0.00 0.00 177.57 177.78 1mgq s TYR 78 N -2.30 -0.29 -0.03 1.57 -0.85 -1.15 -5.01 117.35 109.28 1mgq s TYR 78 Ca -0.24 0.09 0.03 0.00 -0.52 0.00 0.00 57.07 56.44 1mgq s TYR 78 Cb 0.04 0.30 -0.00 0.00 0.38 0.00 0.00 41.96 42.68 1mgq s TYR 78 CO 0.47 -0.69 -0.13 0.42 -1.52 0.00 0.00 175.55 174.11 1mgq s ILE 79 N -3.34 1.10 0.04 -3.49 1.01 -1.26 -1.19 121.20 114.07 1mgq s ILE 79 Ca -0.00 -0.54 -0.02 0.00 0.00 0.00 0.00 60.65 60.09 1mgq s ILE 79 Cb 0.01 -0.96 -0.03 0.00 0.01 0.00 0.00 42.46 41.49 1mgq s ILE 79 CO -0.09 0.33 -0.00 -0.55 0.00 0.00 0.00 174.94 174.63 1mgq s SER 80 N 0.10 0.37 0.00 3.58 0.15 -0.25 -4.97 113.70 112.68 1mgq s SER 80 Ca -0.03 -0.79 0.22 0.00 0.70 0.00 0.00 55.95 56.04 1mgq s SER 80 Cb -0.10 0.19 1.29 0.00 -1.71 0.00 0.00 66.02 65.69 1mgq s SER 80 CO 0.01 -0.52 1.67 -2.65 1.20 0.00 0.00 173.24 172.95