#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gqi s SER 2 N 0.00 4.23 -1.46 1.61 1.04 -1.26 -3.32 113.70 114.54 2gqi s SER 2 Ca 0.00 -0.76 -0.11 0.00 0.48 0.00 0.00 55.95 55.56 2gqi s SER 2 Cb 0.00 -2.57 0.06 0.00 0.10 0.00 0.00 66.02 63.60 2gqi s SER 2 CO 0.00 -3.77 0.99 -1.20 0.98 0.00 0.00 173.24 170.24 2gqi n SER 3 N 17.18 -4.57 -2.65 7.02 7.64 -1.26 -4.87 113.62 132.11 2gqi n SER 3 Ca 0.43 -0.73 -0.04 0.00 1.01 0.00 0.00 58.87 59.54 2gqi n SER 3 Cb 0.46 -4.17 0.09 0.00 -1.01 0.00 0.00 64.21 59.57 2gqi n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2gqi n GLY 4 N -1.73 -1.96 3.56 0.23 0.00 -1.21 -5.10 105.19 98.97 2gqi n GLY 4 Ca -0.02 1.09 -0.38 0.00 0.00 0.00 0.00 46.02 46.72 2gqi n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2gqi n SER 5 N 1.27 2.43 -4.43 1.61 2.88 -1.26 -4.76 113.62 111.37 2gqi n SER 5 Ca -0.02 -0.33 -0.44 0.00 -1.33 0.00 0.00 58.87 56.76 2gqi n SER 5 Cb 0.73 -1.55 -0.06 0.00 -0.75 0.00 0.00 64.21 62.58 2gqi n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2gqi s SER 6 N 11.27 6.21 -0.57 -3.46 0.01 -1.26 -5.02 113.70 120.88 2gqi s SER 6 Ca 1.00 -1.06 -0.18 0.00 1.31 0.00 0.00 55.95 57.03 2gqi s SER 6 Cb -0.26 -2.29 0.11 0.00 0.21 0.00 0.00 66.02 63.79 2gqi s SER 6 CO 0.29 -0.95 0.64 -0.83 0.41 0.00 0.00 173.24 172.80 2gqi s GLY 7 N 2.93 1.87 0.38 3.44 0.00 -1.26 -4.98 107.32 109.71 2gqi s GLY 7 Ca 0.14 -2.30 -0.06 0.00 0.00 0.00 0.00 44.72 42.50 2gqi s GLY 7 CO 0.10 1.46 0.68 -1.60 0.00 0.00 0.00 173.10 173.74 2gqi s ARG 8 N 2.35 3.63 -0.01 2.90 3.52 -1.26 -5.03 118.95 125.05 2gqi s ARG 8 Ca 0.09 0.15 0.02 0.00 -0.13 0.00 0.00 55.73 55.86 2gqi s ARG 8 Cb -0.26 -2.50 -0.00 0.00 -1.56 0.00 0.00 34.95 30.63 2gqi s ARG 8 CO 0.05 0.02 -0.08 1.03 -0.81 0.00 0.00 175.30 175.52 2gqi s ARG 9 N -4.05 0.72 0.19 5.12 0.52 -1.25 -2.89 118.95 117.31 2gqi s ARG 9 Ca 0.46 -0.27 0.01 0.00 -0.52 0.00 0.00 55.73 55.41 2gqi s ARG 9 Cb -0.10 -0.69 -0.05 0.00 0.52 0.00 0.00 34.95 34.63 2gqi s ARG 9 CO 0.35 0.14 0.05 0.14 0.02 0.00 0.00 175.30 176.00 2gqi s VAL 10 N -0.02 0.49 -0.00 3.52 -7.23 -1.21 -2.18 120.40 113.76 2gqi s VAL 10 Ca 0.01 -1.98 0.00 0.00 -1.81 0.00 0.00 61.98 58.20 2gqi s VAL 10 Cb -0.05 -2.28 0.00 0.00 0.56 0.00 0.00 36.38 34.61 2gqi s VAL 10 CO -0.00 -0.30 -0.01 -0.60 -0.31 0.00 0.00 175.10 173.88 2gqi s ARG 11 N -3.99 0.11 -0.58 4.82 3.52 -1.02 -2.02 118.95 119.79 2gqi s ARG 11 Ca 0.29 -0.02 -0.28 0.00 -0.13 0.00 0.00 55.73 55.59 2gqi s ARG 11 Cb 0.07 -0.14 0.02 0.00 -1.56 0.00 0.00 34.95 33.33 2gqi s ARG 11 CO 0.07 0.00 1.37 0.00 -0.81 0.00 0.00 175.30 175.93 2gqi s ALA 12 N 0.12 2.82 0.06 6.12 0.00 -0.59 -1.24 121.76 129.05 2gqi s ALA 12 Ca -0.01 -0.77 0.32 0.00 0.00 0.00 0.00 51.96 51.50 2gqi s ALA 12 Cb -0.02 -4.11 1.53 0.00 0.00 0.00 0.00 23.12 20.51 2gqi s ALA 12 CO -0.00 -2.94 1.96 -0.84 0.00 0.00 0.00 175.76 173.94 2gqi h ILE 13 N 6.31 0.00 -3.13 0.00 3.07 -1.82 0.16 117.51 122.11 2gqi h ILE 13 Ca -0.27 -0.22 -0.12 0.00 1.55 0.00 0.00 64.86 65.80 2gqi h ILE 13 Cb 1.08 1.06 -0.20 0.00 -0.27 0.00 0.00 36.82 38.49 2gqi h ILE 13 CO 1.19 0.00 -0.32 -0.76 -1.05 0.00 0.00 178.15 177.21 2gqi s LEU 14 N -5.47 0.99 0.36 0.16 1.43 -1.25 -4.79 118.68 110.11 2gqi s LEU 14 Ca -0.00 0.06 -0.27 0.00 -1.03 0.00 0.00 54.13 52.88 2gqi s LEU 14 Cb 0.10 1.13 -0.09 0.00 0.03 0.00 0.00 46.19 47.36 2gqi s LEU 14 CO 0.41 -0.41 1.21 -2.16 0.23 0.00 0.00 176.35 175.63 2gqi s PRO 15 N -1.24 4.25 0.04 1.29 0.04 -1.26 -4.48 135.00 133.63 2gqi s PRO 15 Ca -0.13 1.97 0.03 0.00 0.04 0.00 0.00 61.00 62.91 2gqi s PRO 15 Cb -0.06 -2.90 -0.02 0.00 0.04 0.00 0.00 34.50 31.57 2gqi s PRO 15 CO 0.03 -0.19 -0.09 -0.47 0.04 0.00 0.00 177.00 176.32 2gqi s TYR 16 N -1.27 0.78 -0.35 0.56 5.04 -0.92 -4.97 117.35 116.22 2gqi s TYR 16 Ca 0.52 -0.41 -0.10 0.00 -2.44 0.00 0.00 57.07 54.64 2gqi s TYR 16 Cb -0.34 -0.47 0.02 0.00 0.35 0.00 0.00 41.96 41.52 2gqi s TYR 16 CO 0.44 -0.04 0.17 0.99 -1.34 0.00 0.00 175.55 175.78 2gqi s THR 17 N -1.11 4.47 1.00 4.34 2.01 -1.26 -2.95 115.64 122.14 2gqi s THR 17 Ca -0.06 -0.75 -0.16 0.00 0.31 0.00 0.00 61.69 61.03 2gqi s THR 17 Cb -0.09 -3.42 -0.00 0.00 0.01 0.00 0.00 72.50 69.00 2gqi s THR 17 CO 0.01 -0.12 -0.09 2.29 -0.69 0.00 0.00 174.62 176.02 2gqi n LYS 18 N 4.97 -0.50 -4.55 4.92 2.85 -1.26 -4.95 118.16 119.64 2gqi n LYS 18 Ca -0.13 -0.12 -0.34 0.00 -1.05 0.00 0.00 58.31 56.67 2gqi n LYS 18 Cb 0.47 -1.58 -0.11 0.00 -0.65 0.00 0.00 35.03 33.16 2gqi n LYS 18 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 2gqi s VAL 19 N -2.25 3.84 0.58 0.58 1.01 -1.26 -4.95 120.40 117.95 2gqi s VAL 19 Ca 0.52 -0.42 -0.18 0.00 0.00 0.00 0.00 61.98 61.90 2gqi s VAL 19 Cb -0.16 -2.59 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 2gqi s VAL 19 CO 0.70 0.59 1.12 -2.16 0.00 0.00 0.00 175.10 175.35 2gqi s PRO 20 N -0.70 3.17 -1.15 2.72 0.04 -1.26 -3.61 135.00 134.20 2gqi s PRO 20 Ca 0.11 1.54 -0.06 0.00 0.04 0.00 0.00 61.00 62.62 2gqi s PRO 20 Cb -0.11 -1.99 0.01 0.00 0.04 0.00 0.00 34.50 32.45 2gqi s PRO 20 CO 0.02 -0.98 0.85 -3.47 0.04 0.00 0.00 177.00 173.46 2gqi n ASP 21 N -1.67 -5.53 -3.15 6.66 -0.08 -1.26 -4.99 116.55 106.53 2gqi n ASP 21 Ca 0.11 -0.39 -0.11 0.00 -1.51 0.00 0.00 54.79 52.89 2gqi n ASP 21 Cb 0.51 -4.20 -0.01 0.00 2.34 0.00 0.00 41.12 39.77 2gqi n ASP 21 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 2gqi s THR 22 N -3.21 0.00 -0.38 5.18 -4.23 -1.24 -5.04 115.64 106.72 2gqi s THR 22 Ca 0.42 -1.28 0.07 0.00 -1.18 0.00 0.00 61.69 59.72 2gqi s THR 22 Cb -0.19 -2.71 0.70 0.00 1.34 0.00 0.00 72.50 71.64 2gqi s THR 22 CO 0.52 0.00 1.84 0.47 -0.54 0.00 0.00 174.62 176.91 2gqi n ASP 23 N -1.33 4.35 -4.88 3.99 9.92 -1.26 -4.97 116.55 122.37 2gqi n ASP 23 Ca -0.04 -3.35 -0.30 0.00 -0.53 0.00 0.00 54.79 50.57 2gqi n ASP 23 Cb 0.61 -0.78 -0.03 0.00 -0.64 0.00 0.00 41.12 40.27 2gqi n ASP 23 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 2gqi s GLU 24 N -3.05 3.77 0.07 -1.24 2.02 -1.26 -2.73 118.70 116.28 2gqi s GLU 24 Ca 0.55 0.45 0.06 0.00 0.02 0.00 0.00 54.97 56.04 2gqi s GLU 24 Cb 0.45 -2.40 -0.03 0.00 0.10 0.00 0.00 34.13 32.25 2gqi s GLU 24 CO 0.12 -0.04 -0.16 0.96 0.02 0.00 0.00 175.26 176.16 2gqi s ILE 25 N -2.38 1.32 -0.06 -1.63 -4.36 -1.26 -4.62 121.20 108.21 2gqi s ILE 25 Ca 0.51 -1.30 -0.19 0.00 -0.26 0.00 0.00 60.65 59.41 2gqi s ILE 25 Cb -0.10 -1.22 -0.05 0.00 1.25 0.00 0.00 42.46 42.34 2gqi s ILE 25 CO 0.32 -0.10 0.53 -0.94 0.24 0.00 0.00 174.94 174.99 2gqi s SER 26 N -1.61 6.83 0.20 4.36 1.04 -1.26 -4.19 113.70 119.06 2gqi s SER 26 Ca 0.02 0.99 0.02 0.00 0.48 0.00 0.00 55.95 57.46 2gqi s SER 26 Cb -0.09 -2.32 -0.05 0.00 0.10 0.00 0.00 66.02 63.66 2gqi s SER 26 CO 0.03 0.06 0.01 0.72 0.98 0.00 0.00 173.24 175.04 2gqi s PHE 27 N 0.15 1.36 0.33 5.02 -0.71 -1.15 -4.94 117.98 118.04 2gqi s PHE 27 Ca 0.28 -1.01 0.10 0.00 -1.04 0.00 0.00 56.93 55.27 2gqi s PHE 27 Cb -0.17 -0.78 -0.06 0.00 -1.21 0.00 0.00 43.02 40.80 2gqi s PHE 27 CO 0.14 -0.17 -0.09 -0.51 -1.34 0.00 0.00 175.22 173.25 2gqi s LEU 28 N -3.23 2.77 0.12 -1.99 2.01 -1.26 -2.17 118.68 114.93 2gqi s LEU 28 Ca 0.27 -1.12 -0.34 0.00 0.01 0.00 0.00 54.13 52.94 2gqi s LEU 28 Cb 0.06 -1.10 -0.14 0.00 0.01 0.00 0.00 46.19 45.02 2gqi s LEU 28 CO 0.07 -0.17 1.58 1.17 1.01 0.00 0.00 176.35 180.00 2gqi n LYS 29 N -0.80 2.03 0.00 1.70 4.81 -1.26 -1.08 118.16 123.55 2gqi n LYS 29 Ca -0.05 0.73 0.00 0.00 -0.87 0.00 0.00 58.31 58.12 2gqi n LYS 29 Cb 0.63 -2.49 0.00 0.00 0.02 0.00 0.00 35.03 33.18 2gqi n LYS 29 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2gqi n GLY 30 N 3.41 3.05 3.62 3.14 0.00 0.57 -4.98 105.19 114.00 2gqi n GLY 30 Ca 0.18 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.67 2gqi n GLY 30 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2gqi n ASP 31 N 0.13 1.94 -4.97 1.61 9.92 -0.24 -4.54 116.55 120.41 2gqi n ASP 31 Ca 0.00 1.10 -0.22 0.00 -0.53 0.00 0.00 54.79 55.15 2gqi n ASP 31 Cb 0.00 -1.20 0.02 0.00 -0.64 0.00 0.00 41.12 39.30 2gqi n ASP 31 CO 0.00 0.00 0.00 -0.04 0.13 0.00 0.00 177.20 177.29 2gqi s MET 32 N 1.23 2.86 0.32 -1.24 -1.94 -1.26 -1.55 119.30 117.73 2gqi s MET 32 Ca 0.87 -0.67 -0.11 0.00 -1.71 0.00 0.00 55.69 54.07 2gqi s MET 32 Cb -0.95 -2.56 0.02 0.00 2.01 0.00 0.00 34.83 33.34 2gqi s MET 32 CO 0.50 -0.41 0.59 -0.06 -0.01 0.00 0.00 175.02 175.63 2gqi s PHE 33 N -2.60 0.48 -0.34 -0.03 0.40 -0.86 -1.87 117.98 113.17 2gqi s PHE 33 Ca 0.52 -0.90 0.01 0.00 -0.60 0.00 0.00 56.93 55.96 2gqi s PHE 33 Cb -0.10 0.34 0.11 0.00 0.51 0.00 0.00 43.02 43.87 2gqi s PHE 33 CO 0.37 -1.24 0.11 0.42 0.70 0.00 0.00 175.22 175.58 2gqi s ILE 34 N -3.16 1.39 -0.23 0.64 1.01 -1.10 -3.36 121.20 116.37 2gqi s ILE 34 Ca 0.22 -1.89 -0.28 0.00 0.00 0.00 0.00 60.65 58.70 2gqi s ILE 34 Cb -0.02 -2.03 -0.05 0.00 0.01 0.00 0.00 42.46 40.37 2gqi s ILE 34 CO 0.13 -0.69 2.23 0.52 0.00 0.00 0.00 174.94 177.13 2gqi n VAL 35 N 4.44 0.32 -0.12 2.92 0.31 -1.14 -3.13 118.33 121.93 2gqi n VAL 35 Ca 0.01 -0.46 -0.23 0.00 -0.01 0.00 0.00 64.34 63.65 2gqi n VAL 35 Cb 0.41 -2.52 -0.08 0.00 -0.91 0.00 0.00 33.84 30.73 2gqi n VAL 35 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 2gqi n HIS 36 N 11.73 0.15 -4.69 3.52 8.25 -0.93 -4.17 115.22 129.07 2gqi n HIS 36 Ca 0.31 0.06 -0.31 0.00 -0.26 0.00 0.00 57.72 57.52 2gqi n HIS 36 Cb 0.44 -0.88 -0.13 0.00 1.12 0.00 0.00 29.99 30.54 2gqi n HIS 36 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 2gqi s ASN 37 N -6.97 3.74 -0.38 0.41 2.47 -1.18 -5.00 114.94 108.03 2gqi s ASN 37 Ca -0.34 -0.44 -0.04 0.00 0.42 0.00 0.00 52.86 52.46 2gqi s ASN 37 Cb 0.11 -0.59 0.08 0.00 -1.45 0.00 0.00 41.25 39.40 2gqi s ASN 37 CO 0.47 0.26 0.15 -1.61 -3.72 0.00 0.00 177.10 172.66 2gqi s GLU 38 N -1.40 2.27 0.94 0.43 2.02 -1.26 -1.99 118.70 119.72 2gqi s GLU 38 Ca 0.14 -1.56 -0.15 0.00 0.02 0.00 0.00 54.97 53.43 2gqi s GLU 38 Cb -0.10 -3.51 0.17 0.00 0.10 0.00 0.00 34.13 30.79 2gqi s GLU 38 CO 0.05 -0.90 1.24 -0.51 0.02 0.00 0.00 175.26 175.15 2gqi s LEU 39 N 1.24 2.32 -0.24 1.80 2.01 -1.02 -5.03 118.68 119.77 2gqi s LEU 39 Ca 0.03 0.54 -0.04 0.00 0.01 0.00 0.00 54.13 54.67 2gqi s LEU 39 Cb -0.22 -2.70 -0.18 0.00 0.01 0.00 0.00 46.19 43.11 2gqi s LEU 39 CO -0.02 -2.67 -0.12 -0.62 1.01 0.00 0.00 176.35 173.93 2gqi n GLU 40 N -3.77 0.66 0.02 1.70 4.71 -1.26 -4.27 120.64 118.42 2gqi n GLU 40 Ca 0.12 0.21 0.21 0.00 -0.01 0.00 0.00 57.16 57.69 2gqi n GLU 40 Cb 0.60 -1.56 0.54 0.00 -1.01 0.00 0.00 31.44 30.01 2gqi n GLU 40 CO 0.00 0.00 0.00 0.38 0.09 0.00 0.00 177.13 177.60 2gqi h ASP 41 N -0.21 0.00 0.00 1.62 3.04 -2.04 -3.42 116.42 115.41 2gqi h ASP 41 Ca -0.56 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.23 2gqi h ASP 41 Cb 1.85 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 40.14 2gqi h ASP 41 CO -0.12 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.69 2gqi n GLY 42 N -1.56 1.16 4.03 7.15 0.00 -1.26 -5.10 105.19 109.62 2gqi n GLY 42 Ca 0.12 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.94 2gqi n GLY 42 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2gqi s TRP 43 N -1.93 1.42 -0.24 1.61 0.52 -1.26 -2.47 118.94 116.58 2gqi s TRP 43 Ca 0.00 -0.73 -0.06 0.00 0.02 0.00 0.00 56.10 55.33 2gqi s TRP 43 Cb 0.00 -2.19 0.12 0.00 -1.15 0.00 0.00 33.47 30.25 2gqi s TRP 43 CO 0.00 -1.11 0.48 -1.64 0.02 0.00 0.00 176.95 174.70 2gqi s MET 44 N -4.64 0.41 -0.95 4.98 -1.94 -0.58 -2.44 119.30 114.14 2gqi s MET 44 Ca 0.60 0.99 -0.25 0.00 -1.71 0.00 0.00 55.69 55.32 2gqi s MET 44 Cb -0.05 0.28 -0.12 0.00 2.01 0.00 0.00 34.83 36.94 2gqi s MET 44 CO 0.38 -0.38 2.13 -0.46 -0.01 0.00 0.00 175.02 176.68 2gqi s TRP 45 N 2.68 1.49 0.54 -0.03 -0.11 -0.84 -3.62 118.94 119.05 2gqi s TRP 45 Ca 0.04 1.41 0.08 0.00 1.22 0.00 0.00 56.10 58.85 2gqi s TRP 45 Cb -0.13 -3.68 0.06 0.00 -1.50 0.00 0.00 33.47 28.21 2gqi s TRP 45 CO -0.16 -1.36 0.61 0.14 -4.62 0.00 0.00 176.95 171.56 2gqi s VAL 46 N 13.28 2.06 -0.20 5.86 -7.23 -1.08 -2.20 120.40 130.89 2gqi s VAL 46 Ca 0.80 -1.20 -0.03 0.00 -1.81 0.00 0.00 61.98 59.74 2gqi s VAL 46 Cb -0.07 -2.26 0.06 0.00 0.56 0.00 0.00 36.38 34.67 2gqi s VAL 46 CO 0.08 0.00 0.03 -0.89 -0.31 0.00 0.00 175.10 174.02 2gqi s THR 47 N -2.67 0.55 0.46 5.32 2.01 -1.18 -2.17 115.64 117.96 2gqi s THR 47 Ca 0.51 -0.59 -0.23 0.00 0.31 0.00 0.00 61.69 61.69 2gqi s THR 47 Cb -0.05 -1.06 -0.10 0.00 0.01 0.00 0.00 72.50 71.30 2gqi s THR 47 CO 0.31 -0.22 0.92 -3.20 -0.69 0.00 0.00 174.62 171.75 2gqi n ASN 48 N 5.04 0.82 0.01 3.53 2.85 -0.82 -2.72 115.26 123.96 2gqi n ASN 48 Ca -0.09 0.97 0.12 0.00 -0.11 0.00 0.00 54.58 55.47 2gqi n ASN 48 Cb 0.47 -1.32 0.18 0.00 1.24 0.00 0.00 39.78 40.35 2gqi n ASN 48 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 2gqi n LEU 49 N 0.39 0.58 -0.11 1.20 4.77 -0.78 -1.87 117.00 121.19 2gqi n LEU 49 Ca 0.10 -0.05 -0.22 0.00 -0.03 0.00 0.00 56.01 55.81 2gqi n LEU 49 Cb 0.41 -0.20 -0.12 0.00 -2.33 0.00 0.00 43.42 41.18 2gqi n LEU 49 CO 0.55 0.13 -1.26 -1.14 -1.33 0.00 0.00 177.39 174.33 2gqi n ARG 50 N -1.56 0.64 0.02 3.23 0.00 -1.26 -4.47 116.66 113.26 2gqi n ARG 50 Ca 0.05 0.22 0.11 0.00 -0.00 0.00 0.00 57.85 58.23 2gqi n ARG 50 Cb 0.35 -1.55 0.06 0.00 0.00 0.00 0.00 32.46 31.32 2gqi n ARG 50 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 2gqi n THR 51 N -3.61 0.10 -4.00 5.15 -2.24 -1.26 -4.97 114.28 103.45 2gqi n THR 51 Ca -0.46 -0.14 -0.31 0.00 -2.27 0.00 0.00 64.05 60.87 2gqi n THR 51 Cb 0.95 0.36 0.01 0.00 -2.10 0.00 0.00 70.33 69.55 2gqi n THR 51 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2gqi n ASP 52 N -1.76 -3.88 -4.21 3.42 8.00 -0.78 -4.96 116.55 112.38 2gqi n ASP 52 Ca 0.03 -0.87 -0.20 0.00 0.71 0.00 0.00 54.79 54.47 2gqi n ASP 52 Cb 0.39 -3.50 -0.12 0.00 -0.02 0.00 0.00 41.12 37.87 2gqi n ASP 52 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2gqi s GLU 53 N -6.68 0.92 0.19 -1.24 2.02 -1.25 -4.93 118.70 107.74 2gqi s GLU 53 Ca 0.61 -1.03 -0.06 0.00 0.02 0.00 0.00 54.97 54.52 2gqi s GLU 53 Cb -0.32 -1.01 -0.06 0.00 0.10 0.00 0.00 34.13 32.85 2gqi s GLU 53 CO 0.86 0.23 0.45 -0.65 0.02 0.00 0.00 175.26 176.17 2gqi s GLN 54 N -1.81 3.67 0.06 1.61 -0.21 -1.26 -1.95 119.66 119.77 2gqi s GLN 54 Ca 0.01 0.02 -0.16 0.00 0.02 0.00 0.00 55.36 55.24 2gqi s GLN 54 Cb -0.10 -2.76 0.06 0.00 1.00 0.00 0.00 33.01 31.20 2gqi s GLN 54 CO 0.03 0.39 0.75 0.41 -2.12 0.00 0.00 175.29 174.75 2gqi n GLY 55 N -0.15 0.62 3.34 3.09 0.00 -0.92 -4.77 105.19 106.39 2gqi n GLY 55 Ca -0.02 -1.03 -0.35 0.00 0.00 0.00 0.00 46.02 44.62 2gqi n GLY 55 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2gqi s LEU 56 N 0.00 3.01 0.06 0.99 1.43 -1.10 -2.64 118.68 120.43 2gqi s LEU 56 Ca 0.17 -0.35 0.06 0.00 -1.03 0.00 0.00 54.13 52.98 2gqi s LEU 56 Cb -0.01 -1.78 -0.03 0.00 0.03 0.00 0.00 46.19 44.40 2gqi s LEU 56 CO 0.02 -0.02 -0.18 0.27 0.23 0.00 0.00 176.35 176.67 2gqi s ILE 57 N 1.51 1.44 0.26 -0.59 -4.36 -1.24 -4.56 121.20 113.66 2gqi s ILE 57 Ca 0.06 -1.23 -0.26 0.00 -0.26 0.00 0.00 60.65 58.96 2gqi s ILE 57 Cb -0.14 -1.29 -0.09 0.00 1.25 0.00 0.00 42.46 42.18 2gqi s ILE 57 CO -0.02 0.02 0.88 0.54 0.24 0.00 0.00 174.94 176.60 2gqi s VAL 58 N -0.96 4.27 -1.15 8.37 0.11 -1.26 -1.53 120.40 128.25 2gqi s VAL 58 Ca 0.04 1.76 0.18 0.00 -2.93 0.00 0.00 61.98 61.03 2gqi s VAL 58 Cb -0.09 -4.07 0.21 0.00 -1.53 0.00 0.00 36.38 30.90 2gqi s VAL 58 CO 0.02 0.29 1.56 -1.84 -3.33 0.00 0.00 175.10 171.81 2gqi n GLU 59 N 0.96 0.09 0.12 1.54 0.28 -1.03 -2.22 120.64 120.38 2gqi n GLU 59 Ca -0.01 0.17 0.13 0.00 -0.16 0.00 0.00 57.16 57.28 2gqi n GLU 59 Cb 0.49 -1.50 0.31 0.00 1.43 0.00 0.00 31.44 32.17 2gqi n GLU 59 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 2gqi h ASP 60 N 0.00 0.00 -0.01 -1.84 3.32 -1.92 -3.20 116.42 112.78 2gqi h ASP 60 Ca 0.00 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.01 2gqi h ASP 60 Cb 0.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.81 2gqi h ASP 60 CO 0.00 0.02 -0.64 0.18 -1.72 0.00 0.00 179.24 177.08 2gqi n LEU 61 N -2.39 1.32 -4.41 1.55 4.77 -0.94 -4.97 117.00 111.93 2gqi n LEU 61 Ca 0.05 -0.63 -0.21 0.00 -0.03 0.00 0.00 56.01 55.19 2gqi n LEU 61 Cb 0.45 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.44 2gqi n LEU 61 CO 0.32 0.28 -0.46 0.68 -1.33 0.00 0.00 177.39 176.88 2gqi s VAL 62 N -2.46 2.11 0.06 4.08 -7.23 -1.21 -2.44 120.40 113.32 2gqi s VAL 62 Ca 0.11 -2.30 0.07 0.00 -1.81 0.00 0.00 61.98 58.05 2gqi s VAL 62 Cb 0.15 -2.17 -0.03 0.00 0.56 0.00 0.00 36.38 34.89 2gqi s VAL 62 CO 0.62 -0.49 -0.20 -1.83 -0.31 0.00 0.00 175.10 172.89 2gqi s GLU 63 N -3.55 1.26 0.29 4.82 -1.05 -0.38 -4.85 118.70 115.24 2gqi s GLU 63 Ca 0.26 -0.98 -0.30 0.00 -0.15 0.00 0.00 54.97 53.80 2gqi s GLU 63 Cb -0.03 -1.40 -0.11 0.00 -0.44 0.00 0.00 34.13 32.14 2gqi s GLU 63 CO 0.11 0.35 1.57 -1.83 0.95 0.00 0.00 175.26 176.40 2gqi s GLU 64 N -1.38 4.14 -0.29 -4.83 -1.05 -1.26 -2.43 118.70 111.59 2gqi s GLU 64 Ca 0.06 2.54 -0.12 0.00 -0.15 0.00 0.00 54.97 57.31 2gqi s GLU 64 Cb -0.09 -3.03 0.12 0.00 -0.44 0.00 0.00 34.13 30.69 2gqi s GLU 64 CO 0.02 -0.60 0.68 0.54 0.95 0.00 0.00 175.26 176.86 2gqi s VAL 65 N -0.08 -0.71 -0.23 1.83 0.11 -0.93 -4.90 120.40 115.49 2gqi s VAL 65 Ca 0.62 0.00 -0.03 0.00 -2.93 0.00 0.00 61.98 59.64 2gqi s VAL 65 Cb -0.47 -1.00 0.13 0.00 -1.53 0.00 0.00 36.38 33.51 2gqi s VAL 65 CO 0.48 0.00 0.39 -0.55 -3.33 0.00 0.00 175.10 172.09 2gqi s SER 66 N 2.54 0.11 0.00 3.54 0.15 -1.26 -3.87 113.70 114.91 2gqi s SER 66 Ca -0.07 0.38 0.00 0.00 0.70 0.00 0.00 55.95 56.96 2gqi s SER 66 Cb -0.10 1.18 0.00 0.00 -1.71 0.00 0.00 66.02 65.39 2gqi s SER 66 CO -0.19 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 174.57 2gqi n GLY 67 N 5.37 3.66 0.28 9.45 0.00 -1.26 -4.91 105.19 117.77 2gqi n GLY 67 Ca -0.04 -1.56 0.17 0.00 0.00 0.00 0.00 46.02 44.58 2gqi n GLY 67 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2gqi h PRO 68 N 0.00 0.00 -5.30 1.61 0.13 -2.07 -3.39 132.00 122.97 2gqi h PRO 68 Ca 0.00 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.48 2gqi h PRO 68 Cb 0.00 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 30.97 2gqi h PRO 68 CO 0.00 0.02 0.63 -1.12 -0.23 0.00 0.00 178.00 177.31 2gqi s SER 69 N -5.73 6.31 0.92 1.44 0.01 -1.26 -5.03 113.70 110.37 2gqi s SER 69 Ca 0.01 -1.33 -0.15 0.00 1.31 0.00 0.00 55.95 55.79 2gqi s SER 69 Cb 0.09 -2.41 0.17 0.00 0.21 0.00 0.00 66.02 64.08 2gqi s SER 69 CO 0.55 -1.32 1.28 -0.94 0.41 0.00 0.00 173.24 173.22 2gqi s SER 70 N 3.71 3.47 0.00 2.44 1.04 -1.26 -4.95 113.70 118.15 2gqi s SER 70 Ca 0.25 0.36 0.00 0.00 0.48 0.00 0.00 55.95 57.05 2gqi s SER 70 Cb -0.13 -0.52 0.00 0.00 0.10 0.00 0.00 66.02 65.47 2gqi s SER 70 CO 0.04 -2.51 0.00 0.61 0.98 0.00 0.00 173.24 172.35