#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mgq s ARG 13 N 0.00 0.53 0.49 2.61 1.70 -1.26 -5.01 118.95 118.01 1mgq s ARG 13 Ca 0.00 0.07 0.26 0.00 -0.47 0.00 0.00 55.73 55.59 1mgq s ARG 13 Cb 0.00 -0.16 1.24 0.00 -0.57 0.00 0.00 34.95 35.46 1mgq s ARG 13 CO 0.00 -1.08 1.97 -1.35 -1.08 0.00 0.00 175.30 173.76 1mgq h PRO 14 N 7.84 0.00 0.00 3.89 0.11 -2.06 -2.83 132.00 138.95 1mgq h PRO 14 Ca -0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.08 1mgq h PRO 14 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1mgq h PRO 14 CO 0.21 0.17 0.00 -0.07 -0.21 0.00 0.00 178.00 178.09 1mgq h LEU 15 N 0.00 0.00 -1.32 2.35 4.07 -2.00 -0.10 115.31 118.31 1mgq h LEU 15 Ca -0.00 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.93 1mgq h LEU 15 Cb 0.50 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.24 1mgq h LEU 15 CO 0.02 0.00 -0.15 -0.78 -1.08 0.00 0.00 178.44 176.45 1mgq h ASP 16 N 0.00 0.00 -0.22 -0.43 1.82 -1.94 -1.96 116.42 113.70 1mgq h ASP 16 Ca 0.00 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1mgq h ASP 16 Cb 0.08 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.08 1mgq h ASP 16 CO 0.00 0.15 0.13 0.00 -1.61 0.00 0.00 179.24 177.91 1mgq h ALA 17 N 1.85 1.79 -0.14 -0.78 0.00 -1.21 0.34 119.26 121.11 1mgq h ALA 17 Ca -0.00 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.71 1mgq h ALA 17 Cb 0.63 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.33 1mgq h ALA 17 CO 0.02 0.18 -0.54 -0.07 0.00 0.00 0.00 179.25 178.84 1mgq h LEU 18 N 0.32 0.72 -0.74 0.00 3.38 -1.49 -3.03 115.31 114.47 1mgq h LEU 18 Ca 0.08 -0.62 0.05 0.00 0.09 0.00 0.00 57.88 57.49 1mgq h LEU 18 Cb 0.00 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.49 1mgq h LEU 18 CO -0.02 1.21 0.44 1.23 0.09 0.00 0.00 178.44 181.40 1mgq h GLY 19 N 0.27 1.10 2.00 0.83 0.00 -1.09 -0.16 103.07 106.02 1mgq h GLY 19 Ca -0.03 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 46.98 1mgq h GLY 19 CO 0.11 0.22 -0.02 3.43 0.00 0.00 0.00 176.54 180.28 1mgq h ASN 20 N 0.83 0.00 -0.28 0.19 2.35 -0.92 -2.89 115.58 114.86 1mgq h ASN 20 Ca 0.32 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.07 1mgq h ASN 20 Cb 0.14 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.51 1mgq h ASN 20 CO -0.16 0.02 0.00 -1.20 -1.65 0.00 0.00 177.43 174.44 1mgq n SER 21 N -3.28 2.98 -4.69 5.81 7.64 -0.09 -5.00 113.62 116.99 1mgq n SER 21 Ca -0.02 -1.87 -0.44 0.00 1.01 0.00 0.00 58.87 57.55 1mgq n SER 21 Cb 0.15 -0.18 -0.02 0.00 -1.01 0.00 0.00 64.21 63.16 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 1.08 3.48 -0.71 -3.43 4.77 -1.08 -1.92 117.00 119.20 1mgq n LEU 22 Ca 0.14 1.16 -0.09 0.00 -0.03 0.00 0.00 56.01 57.19 1mgq n LEU 22 Cb 0.49 -1.48 -0.04 0.00 -2.33 0.00 0.00 43.42 40.07 1mgq n LEU 22 CO 0.12 -0.34 -0.09 0.59 -1.33 0.00 0.00 177.39 176.34 1mgq n ASN 23 N 1.90 -4.16 -4.28 -1.43 3.02 0.26 -4.97 115.26 105.61 1mgq n ASN 23 Ca 0.10 0.23 -0.15 0.00 -0.03 0.00 0.00 54.58 54.72 1mgq n ASN 23 Cb 0.33 -2.47 -0.10 0.00 -0.61 0.00 0.00 39.78 36.93 1mgq n ASN 23 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1mgq s SER 24 N -2.87 1.92 0.24 6.41 1.04 -0.81 -4.88 113.70 114.76 1mgq s SER 24 Ca 0.00 -1.04 -0.30 0.00 0.48 0.00 0.00 55.95 55.09 1mgq s SER 24 Cb 0.00 -0.03 -0.09 0.00 0.10 0.00 0.00 66.02 66.00 1mgq s SER 24 CO 0.00 -0.33 1.29 -2.84 0.98 0.00 0.00 173.24 172.34 1mgq s PRO 25 N -3.75 4.40 0.23 4.02 0.02 -1.26 -1.86 135.00 136.81 1mgq s PRO 25 Ca 0.19 2.07 0.01 0.00 0.02 0.00 0.00 61.00 63.29 1mgq s PRO 25 Cb 0.02 -3.17 -0.05 0.00 0.02 0.00 0.00 34.50 31.33 1mgq s PRO 25 CO 0.03 -0.20 0.07 0.14 -0.33 0.00 0.00 177.00 176.71 1mgq s VAL 26 N -0.29 0.59 -0.12 3.83 -7.23 0.13 -4.78 120.40 112.53 1mgq s VAL 26 Ca 0.54 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.74 1mgq s VAL 26 Cb -0.37 -2.49 -0.00 0.00 0.56 0.00 0.00 36.38 34.08 1mgq s VAL 26 CO 0.42 -0.13 -0.21 -0.63 -0.31 0.00 0.00 175.10 174.23 1mgq s ILE 27 N -3.73 2.26 -0.19 -0.62 1.01 0.23 -2.25 121.20 117.91 1mgq s ILE 27 Ca 0.34 -0.94 -0.01 0.00 0.00 0.00 0.00 60.65 60.05 1mgq s ILE 27 Cb 0.07 -1.89 0.01 0.00 0.01 0.00 0.00 42.46 40.66 1mgq s ILE 27 CO 0.11 0.55 -0.14 -0.63 0.00 0.00 0.00 174.94 174.82 1mgq s ILE 28 N 0.49 2.55 -0.22 2.92 -1.09 0.12 -0.30 121.20 125.67 1mgq s ILE 28 Ca -0.14 -0.78 -0.10 0.00 -2.23 0.00 0.00 60.65 57.40 1mgq s ILE 28 Cb -0.17 -2.11 -0.05 0.00 -1.58 0.00 0.00 42.46 38.56 1mgq s ILE 28 CO 0.05 0.50 0.14 -0.75 -1.23 0.00 0.00 174.94 173.65 1mgq s LYS 29 N 1.31 4.09 0.40 2.79 2.47 -0.09 -0.23 119.74 130.49 1mgq s LYS 29 Ca 0.04 -0.27 0.08 0.00 -1.56 0.00 0.00 55.97 54.26 1mgq s LYS 29 Cb -0.14 -3.46 -0.03 0.00 -1.46 0.00 0.00 37.83 32.75 1mgq s LYS 29 CO -0.09 0.15 0.34 -0.51 0.16 0.00 0.00 175.35 175.41 1mgq s LEU 30 N 0.78 3.39 0.62 5.43 1.43 -0.51 -0.56 118.68 129.26 1mgq s LEU 30 Ca 0.07 -0.74 -0.18 0.00 -1.03 0.00 0.00 54.13 52.25 1mgq s LEU 30 Cb -0.13 -2.01 -0.02 0.00 0.03 0.00 0.00 46.19 44.06 1mgq s LEU 30 CO 0.02 -0.59 1.25 -0.54 0.23 0.00 0.00 176.35 176.72 1mgq s LYS 31 N -4.08 2.75 -0.53 1.70 1.02 -0.42 -3.04 119.74 117.13 1mgq s LYS 31 Ca 0.46 1.95 0.00 0.00 0.02 0.00 0.00 55.97 58.40 1mgq s LYS 31 Cb -0.03 -1.88 0.00 0.00 -0.52 0.00 0.00 37.83 35.40 1mgq s LYS 31 CO 0.27 -1.42 0.00 0.41 -0.92 0.00 0.00 175.35 173.69 1mgq n GLY 32 N 0.71 0.75 2.97 -3.33 0.00 -1.26 -3.83 105.19 101.21 1mgq n GLY 32 Ca 0.15 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1mgq n GLY 32 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1mgq n ASP 33 N 0.58 -0.39 -4.76 1.61 8.00 -1.17 -5.03 116.55 115.39 1mgq n ASP 33 Ca -0.05 0.00 -0.35 0.00 0.71 0.00 0.00 54.79 55.10 1mgq n ASP 33 Cb 0.21 -0.29 0.03 0.00 -0.02 0.00 0.00 41.12 41.05 1mgq n ASP 33 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1mgq s ARG 34 N -0.10 2.97 -0.11 -1.24 0.52 -1.25 -4.87 118.95 114.87 1mgq s ARG 34 Ca 0.00 1.63 -0.08 0.00 -0.52 0.00 0.00 55.73 56.75 1mgq s ARG 34 Cb 0.00 -1.95 0.03 0.00 0.52 0.00 0.00 34.95 33.55 1mgq s ARG 34 CO 0.00 -1.16 0.27 -2.00 0.02 0.00 0.00 175.30 172.43 1mgq s GLU 35 N -3.58 0.30 0.07 3.54 2.12 -1.22 -1.43 118.70 118.50 1mgq s GLU 35 Ca 0.73 0.43 0.08 0.00 0.36 0.00 0.00 54.97 56.57 1mgq s GLU 35 Cb -0.25 0.08 -0.03 0.00 0.26 0.00 0.00 34.13 34.18 1mgq s GLU 35 CO 0.34 -0.07 -0.20 -0.06 -0.54 0.00 0.00 175.26 174.73 1mgq s PHE 36 N 0.46 2.49 -0.05 5.30 0.08 0.68 -0.79 117.98 126.16 1mgq s PHE 36 Ca -0.03 -0.29 0.04 0.00 0.12 0.00 0.00 56.93 56.77 1mgq s PHE 36 Cb -0.04 -1.40 -0.00 0.00 -0.57 0.00 0.00 43.02 41.01 1mgq s PHE 36 CO -0.02 0.29 -0.16 1.03 -0.10 0.00 0.00 175.22 176.26 1mgq s ARG 37 N -1.70 1.70 -0.03 0.44 0.52 -0.34 0.14 118.95 119.69 1mgq s ARG 37 Ca 0.15 -0.55 -0.12 0.00 -0.52 0.00 0.00 55.73 54.69 1mgq s ARG 37 Cb -0.10 -1.47 0.04 0.00 0.52 0.00 0.00 34.95 33.94 1mgq s ARG 37 CO 0.06 0.20 0.56 0.41 0.02 0.00 0.00 175.30 176.55 1mgq n GLY 38 N 3.26 0.33 3.69 -3.53 0.00 -0.95 -0.52 105.19 107.46 1mgq n GLY 38 Ca -0.19 -0.90 -0.38 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 -2.03 5.21 -0.10 1.61 1.01 -0.69 -0.70 120.40 124.71 1mgq s VAL 39 Ca 0.13 0.72 -0.30 0.00 0.00 0.00 0.00 61.98 62.54 1mgq s VAL 39 Cb -0.00 -3.73 -0.03 0.00 0.00 0.00 0.00 36.38 32.62 1mgq s VAL 39 CO -0.01 0.28 1.29 -0.22 0.00 0.00 0.00 175.10 176.44 1mgq s LEU 40 N 1.11 4.24 -0.10 3.92 2.96 -0.78 -1.13 118.68 128.90 1mgq s LEU 40 Ca 0.20 1.83 0.07 0.00 -0.22 0.00 0.00 54.13 56.01 1mgq s LEU 40 Cb -0.15 -3.55 -0.11 0.00 0.50 0.00 0.00 46.19 42.89 1mgq s LEU 40 CO 0.08 -0.71 0.01 0.29 -1.32 0.00 0.00 176.35 174.70 1mgq n LYS 41 N 6.01 2.11 -3.54 1.98 4.76 0.32 0.91 118.16 130.70 1mgq n LYS 41 Ca 0.13 0.01 -0.13 0.00 -2.87 0.00 0.00 58.31 55.44 1mgq n LYS 41 Cb 0.45 -1.24 -0.05 0.00 -1.84 0.00 0.00 35.03 32.35 1mgq n LYS 41 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1mgq s SER 42 N -4.32 -0.50 0.11 4.39 0.15 -1.21 -4.87 113.70 107.45 1mgq s SER 42 Ca -0.07 0.49 -0.23 0.00 0.70 0.00 0.00 55.95 56.84 1mgq s SER 42 Cb 0.03 0.42 0.06 0.00 -1.71 0.00 0.00 66.02 64.82 1mgq s SER 42 CO 0.37 -0.50 0.57 0.72 1.20 0.00 0.00 173.24 175.60 1mgq s PHE 43 N -1.39 -0.49 0.43 3.44 -0.12 -1.26 -0.51 117.98 118.08 1mgq s PHE 43 Ca -0.05 0.41 0.02 0.00 -0.05 0.00 0.00 56.93 57.26 1mgq s PHE 43 Cb -0.00 0.46 -0.01 0.00 -0.63 0.00 0.00 43.02 42.84 1mgq s PHE 43 CO 0.04 -0.76 0.09 -0.40 -0.05 0.00 0.00 175.22 174.13 1mgq n ASP 44 N -0.05 2.06 0.27 1.98 5.68 -0.77 -4.99 116.55 120.73 1mgq n ASP 44 Ca -0.17 -3.13 0.19 0.00 -0.50 0.00 0.00 54.79 51.17 1mgq n ASP 44 Cb 0.63 0.75 0.99 0.00 -1.14 0.00 0.00 41.12 42.35 1mgq n ASP 44 CO 0.00 0.00 0.00 0.17 -1.33 0.00 0.00 177.20 176.04 1mgq h LEU 45 N 0.00 0.00 -0.24 -2.12 -0.00 -2.02 0.17 115.31 111.10 1mgq h LEU 45 Ca -0.35 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.53 1mgq h LEU 45 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.86 1mgq h LEU 45 CO 0.56 0.00 -0.25 1.41 -0.00 0.00 0.00 178.44 180.16 1mgq n HIS 46 N -2.78 0.00 -1.10 0.17 8.25 -1.26 -4.90 115.22 113.60 1mgq n HIS 46 Ca -0.02 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.40 1mgq n HIS 46 Cb 0.06 -0.21 -0.01 0.00 1.12 0.00 0.00 29.99 30.95 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 -1.04 -0.41 -2.01 -0.41 2.81 0.60 -4.30 117.12 112.34 1mgq n MET 47 Ca 0.11 0.49 -0.41 0.00 -1.81 0.00 0.00 57.70 56.07 1mgq n MET 47 Cb 0.32 -4.08 -0.01 0.00 -0.71 0.00 0.00 33.22 28.73 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 -2.61 6.63 0.08 7.83 0.01 -1.26 -3.60 114.94 122.03 1mgq s ASN 48 Ca 0.00 2.80 -0.16 0.00 -0.71 0.00 0.00 52.86 54.80 1mgq s ASN 48 Cb 0.00 -2.65 0.03 0.00 0.41 0.00 0.00 41.25 39.03 1mgq s ASN 48 CO 0.00 -0.65 0.36 -1.48 -1.51 0.00 0.00 177.10 173.82 1mgq s LEU 49 N -1.82 0.60 -0.11 0.60 0.05 -0.68 -1.85 118.68 115.47 1mgq s LEU 49 Ca 0.51 -0.22 0.00 0.00 0.05 0.00 0.00 54.13 54.47 1mgq s LEU 49 Cb -0.42 1.63 -0.02 0.00 -2.05 0.00 0.00 46.19 45.33 1mgq s LEU 49 CO 0.56 -0.73 -0.11 -0.69 -0.55 0.00 0.00 176.35 174.83 1mgq s VAL 50 N -3.12 3.29 0.12 1.48 1.01 0.33 -0.78 120.40 122.74 1mgq s VAL 50 Ca -0.01 -0.60 0.11 0.00 0.00 0.00 0.00 61.98 61.48 1mgq s VAL 50 Cb 0.01 -2.37 -0.04 0.00 0.00 0.00 0.00 36.38 33.98 1mgq s VAL 50 CO -0.07 0.55 -0.26 -0.76 0.00 0.00 0.00 175.10 174.56 1mgq s LEU 51 N -0.06 2.38 0.31 3.92 1.43 -0.40 -0.52 118.68 125.73 1mgq s LEU 51 Ca -0.01 -0.71 0.07 0.00 -1.03 0.00 0.00 54.13 52.44 1mgq s LEU 51 Cb -0.14 -1.27 -0.03 0.00 0.03 0.00 0.00 46.19 44.78 1mgq s LEU 51 CO 0.03 0.18 0.32 0.20 0.23 0.00 0.00 176.35 177.31 1mgq s ASN 52 N -2.04 5.58 -1.65 2.29 0.01 -0.29 -0.97 114.94 117.88 1mgq s ASN 52 Ca 0.15 -0.32 -0.14 0.00 -0.71 0.00 0.00 52.86 51.83 1mgq s ASN 52 Cb -0.10 -1.21 0.13 0.00 0.41 0.00 0.00 41.25 40.48 1mgq s ASN 52 CO 0.06 -0.27 0.66 0.47 -1.51 0.00 0.00 177.10 176.51 1mgq n ASP 53 N -1.39 -2.39 -4.73 -1.22 8.00 -0.21 -1.70 116.55 112.90 1mgq n ASP 53 Ca -0.03 -1.04 -0.41 0.00 0.71 0.00 0.00 54.79 54.01 1mgq n ASP 53 Cb 0.59 -2.66 -0.04 0.00 -0.02 0.00 0.00 41.12 38.99 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 -3.48 3.37 -0.06 2.24 0.00 0.55 -4.56 121.76 119.82 1mgq s ALA 54 Ca 0.57 0.83 0.05 0.00 0.00 0.00 0.00 51.96 53.41 1mgq s ALA 54 Cb -0.31 -3.37 -0.01 0.00 0.00 0.00 0.00 23.12 19.42 1mgq s ALA 54 CO 0.93 -0.27 -0.23 -1.21 0.00 0.00 0.00 175.76 174.99 1mgq s GLU 55 N -0.07 2.60 -0.17 0.00 2.02 0.32 -0.61 118.70 122.79 1mgq s GLU 55 Ca 0.51 -0.87 -0.10 0.00 0.02 0.00 0.00 54.97 54.54 1mgq s GLU 55 Cb -0.29 -2.22 -0.05 0.00 0.10 0.00 0.00 34.13 31.67 1mgq s GLU 55 CO 0.34 0.40 0.16 -2.00 0.02 0.00 0.00 175.26 174.18 1mgq s GLU 56 N -0.20 4.03 0.16 1.61 2.12 0.27 -1.20 118.70 125.50 1mgq s GLU 56 Ca -0.02 -0.15 0.10 0.00 0.36 0.00 0.00 54.97 55.26 1mgq s GLU 56 Cb -0.13 -3.37 -0.04 0.00 0.26 0.00 0.00 34.13 30.85 1mgq s GLU 56 CO 0.03 0.40 -0.21 -0.51 -0.54 0.00 0.00 175.26 174.43 1mgq s LEU 57 N 0.05 2.54 -0.11 2.70 1.02 0.03 -0.96 118.68 123.95 1mgq s LEU 57 Ca 0.11 -0.73 -0.05 0.00 0.02 0.00 0.00 54.13 53.48 1mgq s LEU 57 Cb -0.12 -1.33 0.05 0.00 0.02 0.00 0.00 46.19 44.82 1mgq s LEU 57 CO 0.00 0.14 0.24 -1.61 0.02 0.00 0.00 176.35 175.14 1mgq s GLU 58 N -2.44 0.16 -1.93 1.70 2.02 0.87 -3.46 118.70 115.62 1mgq s GLU 58 Ca 0.19 0.60 0.00 0.00 0.02 0.00 0.00 54.97 55.79 1mgq s GLU 58 Cb -0.09 -0.11 0.00 0.00 0.10 0.00 0.00 34.13 34.03 1mgq s GLU 58 CO 0.10 -0.22 0.00 -0.25 0.02 0.00 0.00 175.26 174.91 1mgq n ASP 59 N 4.75 -5.83 0.00 -0.19 8.00 -1.26 -0.10 116.55 121.92 1mgq n ASP 59 Ca -0.16 0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.48 1mgq n ASP 59 Cb 0.51 -4.93 0.00 0.00 -0.02 0.00 0.00 41.12 36.68 1mgq n ASP 59 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1mgq n GLY 60 N -0.83 0.51 3.88 0.44 0.00 -1.26 -5.01 105.19 102.91 1mgq n GLY 60 Ca -0.24 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.45 1mgq n GLY 60 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1mgq s GLU 61 N -0.40 3.37 -0.25 1.61 0.41 0.85 -5.02 118.70 119.28 1mgq s GLU 61 Ca 0.00 -0.33 -0.26 0.00 -0.41 0.00 0.00 54.97 53.98 1mgq s GLU 61 Cb 0.00 -3.07 -0.00 0.00 -1.78 0.00 0.00 34.13 29.28 1mgq s GLU 61 CO 0.00 0.68 0.88 0.08 -0.49 0.00 0.00 175.26 176.41 1mgq s VAL 62 N -1.26 4.79 -0.25 2.63 1.01 -1.26 -0.09 120.40 125.96 1mgq s VAL 62 Ca 0.25 1.65 0.08 0.00 0.00 0.00 0.00 61.98 63.96 1mgq s VAL 62 Cb -0.12 -4.17 -0.11 0.00 0.00 0.00 0.00 36.38 31.98 1mgq s VAL 62 CO 0.16 -0.12 0.29 0.35 0.00 0.00 0.00 175.10 175.78 1mgq n THR 63 N 5.31 0.00 -3.68 3.92 -2.24 -0.13 -4.98 114.28 112.48 1mgq n THR 63 Ca 0.07 -0.26 -0.12 0.00 -2.27 0.00 0.00 64.05 61.47 1mgq n THR 63 Cb 0.47 0.74 -0.09 0.00 -2.10 0.00 0.00 70.33 69.35 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 -2.09 0.62 -0.13 -0.78 3.52 -1.23 -4.98 118.95 113.87 1mgq s ARG 64 Ca 0.01 0.83 -0.00 0.00 -0.13 0.00 0.00 55.73 56.44 1mgq s ARG 64 Cb 0.06 0.24 -0.01 0.00 -1.56 0.00 0.00 34.95 33.68 1mgq s ARG 64 CO 0.35 -0.10 -0.13 1.03 -0.81 0.00 0.00 175.30 175.64 1mgq s ARG 65 N 0.63 3.37 -0.10 5.12 0.52 -1.26 -0.56 118.95 126.66 1mgq s ARG 65 Ca -0.03 -0.69 -0.00 0.00 -0.52 0.00 0.00 55.73 54.49 1mgq s ARG 65 Cb -0.05 -2.64 0.02 0.00 0.52 0.00 0.00 34.95 32.81 1mgq s ARG 65 CO -0.04 0.18 -0.07 -0.51 0.02 0.00 0.00 175.30 174.88 1mgq s LEU 66 N 0.42 1.19 0.53 2.53 1.43 0.23 -5.01 118.68 119.99 1mgq s LEU 66 Ca -0.10 -0.27 0.19 0.00 -1.03 0.00 0.00 54.13 52.92 1mgq s LEU 66 Cb -0.16 -0.79 1.34 0.00 0.03 0.00 0.00 46.19 46.61 1mgq s LEU 66 CO 0.05 -0.11 2.12 1.23 0.23 0.00 0.00 176.35 179.87 1mgq h GLY 67 N 8.01 0.00 -5.13 -3.19 0.00 -1.93 0.16 103.07 100.98 1mgq h GLY 67 Ca -0.29 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.07 1mgq h GLY 67 CO 0.40 0.00 0.08 -1.59 0.00 0.00 0.00 176.54 175.43 1mgq s THR 68 N -5.02 0.00 -0.01 4.70 2.01 -1.26 -1.04 115.64 115.01 1mgq s THR 68 Ca -0.05 0.00 0.02 0.00 0.31 0.00 0.00 61.69 61.97 1mgq s THR 68 Cb 0.17 -1.00 -0.00 0.00 0.01 0.00 0.00 72.50 71.68 1mgq s THR 68 CO 0.67 0.00 -0.05 0.54 -0.69 0.00 0.00 174.62 175.09 1mgq s VAL 69 N 1.53 0.45 -0.30 3.82 0.11 -0.14 -4.99 120.40 120.87 1mgq s VAL 69 Ca -0.09 -0.22 -0.11 0.00 -2.93 0.00 0.00 61.98 58.63 1mgq s VAL 69 Cb -0.05 -0.39 -0.03 0.00 -1.53 0.00 0.00 36.38 34.38 1mgq s VAL 69 CO -0.18 0.14 0.19 -0.22 -3.33 0.00 0.00 175.10 171.69 1mgq s LEU 70 N 0.03 4.12 -0.18 2.54 2.96 -1.26 -1.27 118.68 125.62 1mgq s LEU 70 Ca 0.00 -0.25 -0.06 0.00 -0.22 0.00 0.00 54.13 53.60 1mgq s LEU 70 Cb -0.04 -2.08 -0.04 0.00 0.50 0.00 0.00 46.19 44.53 1mgq s LEU 70 CO -0.00 -0.13 0.04 -0.63 -1.32 0.00 0.00 176.35 174.30 1mgq s ILE 71 N 1.71 4.50 0.09 6.68 1.01 0.04 -4.97 121.20 130.25 1mgq s ILE 71 Ca 0.06 -0.14 -0.31 0.00 0.00 0.00 0.00 60.65 60.27 1mgq s ILE 71 Cb -0.16 -3.02 -0.06 0.00 0.01 0.00 0.00 42.46 39.22 1mgq s ILE 71 CO 0.09 0.46 1.25 -0.13 0.00 0.00 0.00 174.94 176.61 1mgq s ARG 72 N 0.48 4.41 0.39 2.79 0.52 -1.26 -1.68 118.95 124.59 1mgq s ARG 72 Ca 0.01 1.86 0.07 0.00 -0.52 0.00 0.00 55.73 57.16 1mgq s ARG 72 Cb -0.13 -3.31 0.81 0.00 0.52 0.00 0.00 34.95 32.84 1mgq s ARG 72 CO 0.01 -0.29 1.99 0.78 0.02 0.00 0.00 175.30 177.82 1mgq h GLY 73 N 6.64 0.79 2.00 -3.53 0.00 -1.75 -2.68 103.07 104.55 1mgq h GLY 73 Ca -0.42 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 46.65 1mgq h GLY 73 CO 0.82 0.21 0.00 -1.80 0.00 0.00 0.00 176.54 175.77 1mgq h ASP 74 N 0.66 0.00 0.25 0.19 3.58 -1.89 0.13 116.42 119.33 1mgq h ASP 74 Ca 0.26 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.71 1mgq h ASP 74 Cb 0.20 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.25 1mgq h ASP 74 CO -0.08 0.00 -0.64 0.59 -2.88 0.00 0.00 179.24 176.24 1mgq n ASN 75 N -2.62 0.88 -4.71 2.28 3.02 -1.01 -4.94 115.26 108.15 1mgq n ASN 75 Ca -0.02 -0.70 -0.42 0.00 -0.03 0.00 0.00 54.58 53.41 1mgq n ASN 75 Cb 0.06 0.51 -0.03 0.00 -0.61 0.00 0.00 39.78 39.71 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 -2.89 4.10 -0.16 2.41 1.01 0.44 -1.30 121.20 124.82 1mgq s ILE 76 Ca 0.12 1.51 -0.14 0.00 0.00 0.00 0.00 60.65 62.14 1mgq s ILE 76 Cb 0.17 -3.97 -0.10 0.00 0.01 0.00 0.00 42.46 38.58 1mgq s ILE 76 CO 0.72 0.11 0.03 0.58 0.00 0.00 0.00 174.94 176.38 1mgq h VAL 77 N 4.57 0.43 -3.62 2.92 2.07 -1.11 -3.46 116.25 118.05 1mgq h VAL 77 Ca -0.41 -1.51 -0.07 0.00 0.82 0.00 0.00 66.70 65.53 1mgq h VAL 77 Cb 1.21 1.00 -0.12 0.00 -1.52 0.00 0.00 31.29 31.87 1mgq h VAL 77 CO 0.81 0.15 -0.17 -0.72 0.02 0.00 0.00 177.57 177.66 1mgq s TYR 78 N -2.23 0.13 -0.05 1.57 -0.85 -1.10 -5.02 117.35 109.81 1mgq s TYR 78 Ca -0.19 -0.49 0.04 0.00 -0.52 0.00 0.00 57.07 55.91 1mgq s TYR 78 Cb 0.03 0.14 -0.00 0.00 0.38 0.00 0.00 41.96 42.51 1mgq s TYR 78 CO 0.36 -0.78 -0.19 0.42 -1.52 0.00 0.00 175.55 173.85 1mgq s ILE 79 N -3.91 1.56 -0.11 -3.49 1.01 -1.26 -0.91 121.20 114.08 1mgq s ILE 79 Ca 0.12 -0.78 -0.01 0.00 0.00 0.00 0.00 60.65 59.98 1mgq s ILE 79 Cb 0.02 -1.34 0.03 0.00 0.01 0.00 0.00 42.46 41.18 1mgq s ILE 79 CO -0.03 0.44 -0.02 -0.55 0.00 0.00 0.00 174.94 174.79 1mgq s SER 80 N 0.06 2.11 0.00 3.58 0.15 0.58 -4.98 113.70 115.21 1mgq s SER 80 Ca -0.05 -0.33 0.28 0.00 0.70 0.00 0.00 55.95 56.54 1mgq s SER 80 Cb -0.13 -0.64 1.65 0.00 -1.71 0.00 0.00 66.02 65.20 1mgq s SER 80 CO 0.03 -0.19 1.99 -0.81 1.20 0.00 0.00 173.24 175.46