#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 5.08 -0.02 1.61 0.15 -1.26 -5.13 113.70 114.13 2gqi s SER 2 Ca 0.00 -0.39 -0.01 0.00 0.70 0.00 0.00 55.95 56.25 2gqi s SER 2 Cb 0.00 -1.16 0.01 0.00 -1.71 0.00 0.00 66.02 63.16 2gqi s SER 2 CO 0.00 0.01 0.03 -0.44 1.20 0.00 0.00 173.24 174.04 2gqi s SER 3 N -3.58 0.00 0.00 5.45 0.01 -1.26 -4.99 113.70 109.34 2gqi s SER 3 Ca 0.31 0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.63 2gqi s SER 3 Cb -0.08 0.02 0.00 0.00 0.21 0.00 0.00 66.02 66.17 2gqi s SER 3 CO 0.22 -0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.43 2gqi n GLY 4 N 3.48 -0.17 3.65 3.44 0.00 -1.26 -5.07 105.19 109.26 2gqi n GLY 4 Ca -0.18 -0.30 -0.35 0.00 0.00 0.00 0.00 46.02 45.19 2gqi n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2gqi s SER 5 N -1.13 5.83 -0.01 1.61 0.01 -1.26 -5.09 113.70 113.66 2gqi s SER 5 Ca 0.00 0.11 0.00 0.00 1.31 0.00 0.00 55.95 57.37 2gqi s SER 5 Cb 0.00 -2.01 0.02 0.00 0.21 0.00 0.00 66.02 64.23 2gqi s SER 5 CO 0.00 0.15 0.01 -0.94 0.41 0.00 0.00 173.24 172.88 2gqi s SER 6 N 0.51 0.07 -0.40 2.44 1.04 -1.26 -5.07 113.70 111.03 2gqi s SER 6 Ca 0.05 0.02 0.10 0.00 0.48 0.00 0.00 55.95 56.60 2gqi s SER 6 Cb -0.12 -0.05 0.35 0.00 0.10 0.00 0.00 66.02 66.30 2gqi s SER 6 CO 0.00 -0.07 0.95 0.61 0.98 0.00 0.00 173.24 175.71 2gqi n GLY 7 N 3.68 2.09 3.75 7.32 0.00 -1.26 -4.70 105.19 116.07 2gqi n GLY 7 Ca -0.21 -0.87 -0.36 0.00 0.00 0.00 0.00 46.02 44.58 2gqi n GLY 7 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2gqi s ARG 8 N -1.24 2.97 -0.03 1.61 3.52 -1.20 -4.75 118.95 119.82 2gqi s ARG 8 Ca 0.31 1.88 0.05 0.00 -0.13 0.00 0.00 55.73 57.83 2gqi s ARG 8 Cb 0.34 -1.96 -0.01 0.00 -1.56 0.00 0.00 34.95 31.76 2gqi s ARG 8 CO -0.06 -1.22 -0.18 0.50 -0.81 0.00 0.00 175.30 173.53 2gqi s ARG 9 N -3.28 1.72 0.36 5.12 3.52 -1.26 -0.46 118.95 124.67 2gqi s ARG 9 Ca 0.77 -0.63 0.04 0.00 -0.13 0.00 0.00 55.73 55.78 2gqi s ARG 9 Cb -0.32 -1.54 -0.03 0.00 -1.56 0.00 0.00 34.95 31.50 2gqi s ARG 9 CO 0.35 0.30 0.14 0.14 -0.81 0.00 0.00 175.30 175.42 2gqi s VAL 10 N -0.12 0.52 -0.03 7.11 -7.23 -1.25 -3.96 120.40 115.45 2gqi s VAL 10 Ca -0.00 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.17 2gqi s VAL 10 Cb -0.10 -2.45 0.03 0.00 0.56 0.00 0.00 36.38 34.42 2gqi s VAL 10 CO 0.01 0.00 0.01 -0.60 -0.31 0.00 0.00 175.10 174.22 2gqi s ARG 11 N -3.74 0.14 -0.74 4.82 3.52 -0.44 -2.71 118.95 119.81 2gqi s ARG 11 Ca 0.30 0.13 -0.26 0.00 -0.13 0.00 0.00 55.73 55.77 2gqi s ARG 11 Cb 0.04 -0.38 -0.04 0.00 -1.56 0.00 0.00 34.95 33.01 2gqi s ARG 11 CO 0.17 -0.15 1.94 0.00 -0.81 0.00 0.00 175.30 176.44 2gqi s ALA 12 N 1.06 1.88 0.59 6.12 0.00 -1.03 -0.95 121.76 129.43 2gqi s ALA 12 Ca -0.09 -1.00 0.29 0.00 0.00 0.00 0.00 51.96 51.16 2gqi s ALA 12 Cb -0.13 -4.43 1.75 0.00 0.00 0.00 0.00 23.12 20.31 2gqi s ALA 12 CO -0.02 -4.39 2.19 -0.84 0.00 0.00 0.00 175.76 172.69 2gqi h ILE 13 N 7.11 0.50 -3.93 0.00 3.07 -1.85 0.42 117.51 122.83 2gqi h ILE 13 Ca -0.10 0.00 -0.11 0.00 1.55 0.00 0.00 64.86 66.21 2gqi h ILE 13 Cb 1.09 0.93 -0.16 0.00 -0.27 0.00 0.00 36.82 38.41 2gqi h ILE 13 CO 1.21 0.00 -0.51 -0.76 -1.05 0.00 0.00 178.15 177.04 2gqi s LEU 14 N -7.64 1.86 0.67 0.16 1.43 -1.25 -4.72 118.68 109.19 2gqi s LEU 14 Ca -0.05 -0.71 -0.14 0.00 -1.03 0.00 0.00 54.13 52.20 2gqi s LEU 14 Cb 0.15 0.65 0.01 0.00 0.03 0.00 0.00 46.19 47.03 2gqi s LEU 14 CO 0.55 -0.62 1.11 -2.16 0.23 0.00 0.00 176.35 175.46 2gqi s PRO 15 N -3.45 2.72 0.02 1.29 0.04 -1.26 -4.46 135.00 129.91 2gqi s PRO 15 Ca 0.02 1.36 -0.19 0.00 0.04 0.00 0.00 61.00 62.23 2gqi s PRO 15 Cb 0.04 -1.94 0.04 0.00 0.04 0.00 0.00 34.50 32.67 2gqi s PRO 15 CO -0.09 -1.30 0.43 -0.47 0.04 0.00 0.00 177.00 175.61 2gqi s TYR 16 N -2.41 -0.30 -0.07 0.56 5.04 -1.09 -4.98 117.35 114.10 2gqi s TYR 16 Ca 0.66 0.35 0.01 0.00 -2.44 0.00 0.00 57.07 55.65 2gqi s TYR 16 Cb -0.20 0.22 -0.03 0.00 0.35 0.00 0.00 41.96 42.30 2gqi s TYR 16 CO 0.43 -0.54 -0.08 0.99 -1.34 0.00 0.00 175.55 175.02 2gqi s THR 17 N -2.10 3.65 0.20 4.34 2.01 -1.26 -3.24 115.64 119.23 2gqi s THR 17 Ca -0.08 -0.50 -0.30 0.00 0.31 0.00 0.00 61.69 61.13 2gqi s THR 17 Cb -0.02 -2.48 -0.08 0.00 0.01 0.00 0.00 72.50 69.93 2gqi s THR 17 CO 0.00 0.60 1.08 -1.59 -0.69 0.00 0.00 174.62 174.03 2gqi s LYS 18 N -0.80 4.62 0.30 4.92 -2.85 -1.21 -4.90 119.74 119.82 2gqi s LYS 18 Ca 0.12 1.71 -0.29 0.00 -1.00 0.00 0.00 55.97 56.51 2gqi s LYS 18 Cb -0.11 -3.27 -0.10 0.00 -2.06 0.00 0.00 37.83 32.30 2gqi s LYS 18 CO 0.01 0.14 1.30 0.08 0.10 0.00 0.00 175.35 176.97 2gqi s VAL 19 N -0.46 2.85 0.31 1.79 1.01 -1.26 -4.94 120.40 119.69 2gqi s VAL 19 Ca 0.48 0.82 -0.29 0.00 0.00 0.00 0.00 61.98 62.99 2gqi s VAL 19 Cb -0.29 -3.52 -0.10 0.00 0.00 0.00 0.00 36.38 32.46 2gqi s VAL 19 CO 0.36 0.18 1.23 -2.16 0.00 0.00 0.00 175.10 174.71 2gqi s PRO 20 N -1.45 4.46 -0.82 2.72 0.04 -1.26 -3.39 135.00 135.30 2gqi s PRO 20 Ca 0.50 2.06 -0.05 0.00 0.04 0.00 0.00 61.00 63.55 2gqi s PRO 20 Cb -0.39 -3.12 0.01 0.00 0.04 0.00 0.00 34.50 31.04 2gqi s PRO 20 CO 0.49 -0.04 0.71 -0.25 0.04 0.00 0.00 177.00 177.95 2gqi n ASP 21 N 1.03 -4.45 -3.90 6.66 9.92 -1.26 -5.02 116.55 119.52 2gqi n ASP 21 Ca -0.00 -0.33 -0.10 0.00 -0.53 0.00 0.00 54.79 53.83 2gqi n ASP 21 Cb 0.43 -3.27 -0.05 0.00 -0.64 0.00 0.00 41.12 37.59 2gqi n ASP 21 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 2gqi s THR 22 N -3.20 0.00 -0.80 -3.53 -4.23 -1.22 -5.03 115.64 97.64 2gqi s THR 22 Ca 0.33 -1.43 0.06 0.00 -1.18 0.00 0.00 61.69 59.47 2gqi s THR 22 Cb -0.14 -2.27 0.33 0.00 1.34 0.00 0.00 72.50 71.75 2gqi s THR 22 CO 0.44 0.00 1.03 0.47 -0.54 0.00 0.00 174.62 176.02 2gqi n ASP 23 N -0.50 2.83 -4.79 3.99 9.92 -1.26 -4.92 116.55 121.82 2gqi n ASP 23 Ca -0.01 -2.35 -0.30 0.00 -0.53 0.00 0.00 54.79 51.59 2gqi n ASP 23 Cb 0.62 -0.55 0.09 0.00 -0.64 0.00 0.00 41.12 40.64 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 -1.71 2.13 0.27 -1.24 0.41 -1.26 -3.52 118.70 113.78 2gqi s GLU 24 Ca 0.22 0.82 0.03 0.00 -0.41 0.00 0.00 54.97 55.63 2gqi s GLU 24 Cb 0.16 -1.91 -0.06 0.00 -1.78 0.00 0.00 34.13 30.55 2gqi s GLU 24 CO 0.07 -1.64 0.04 0.96 -0.49 0.00 0.00 175.26 174.21 2gqi s ILE 25 N -3.05 0.95 -0.12 -1.63 -4.36 -1.26 -4.76 121.20 106.96 2gqi s ILE 25 Ca 0.61 -2.01 0.01 0.00 -0.26 0.00 0.00 60.65 59.00 2gqi s ILE 25 Cb -0.15 -2.57 -0.01 0.00 1.25 0.00 0.00 42.46 40.98 2gqi s ILE 25 CO 0.55 -0.13 -0.17 -0.94 0.24 0.00 0.00 174.94 174.49 2gqi s SER 26 N -3.36 3.66 0.27 4.36 1.04 -1.26 -3.32 113.70 115.08 2gqi s SER 26 Ca 0.34 -0.42 0.05 0.00 0.48 0.00 0.00 55.95 56.40 2gqi s SER 26 Cb 0.07 -1.54 -0.06 0.00 0.10 0.00 0.00 66.02 64.60 2gqi s SER 26 CO 0.12 0.16 -0.03 0.72 0.98 0.00 0.00 173.24 175.19 2gqi s PHE 27 N 0.37 1.85 0.39 5.02 -0.71 -1.20 -4.92 117.98 118.79 2gqi s PHE 27 Ca -0.13 -0.80 0.08 0.00 -1.04 0.00 0.00 56.93 55.04 2gqi s PHE 27 Cb -0.17 -1.09 -0.05 0.00 -1.21 0.00 0.00 43.02 40.51 2gqi s PHE 27 CO 0.07 0.16 0.15 -1.17 -1.34 0.00 0.00 175.22 173.08 2gqi s LEU 28 N -3.41 3.11 -0.38 -1.99 2.96 -1.26 -2.68 118.68 115.04 2gqi s LEU 28 Ca 0.30 -1.02 -0.27 0.00 -0.22 0.00 0.00 54.13 52.92 2gqi s LEU 28 Cb 0.05 -1.46 -0.06 0.00 0.50 0.00 0.00 46.19 45.22 2gqi s LEU 28 CO 0.11 -0.46 2.34 1.17 -1.32 0.00 0.00 176.35 178.19 2gqi n LYS 29 N -1.18 1.42 0.00 1.98 4.81 -1.26 -1.70 118.16 122.24 2gqi n LYS 29 Ca -0.02 0.22 0.00 0.00 -0.87 0.00 0.00 58.31 57.64 2gqi n LYS 29 Cb 0.64 -3.35 0.00 0.00 0.02 0.00 0.00 35.03 32.33 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 5.92 3.14 3.63 3.14 0.00 0.15 -4.98 105.19 116.18 2gqi n GLY 30 Ca 0.34 -1.13 -0.66 0.00 0.00 0.00 0.00 46.02 44.58 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 0.00 1.12 -3.44 1.61 9.92 -0.69 -4.20 116.55 120.87 2gqi n ASP 31 Ca 0.00 1.06 -0.23 0.00 -0.53 0.00 0.00 54.79 55.10 2gqi n ASP 31 Cb 0.00 -0.89 0.16 0.00 -0.64 0.00 0.00 41.12 39.75 2gqi n ASP 31 CO 0.00 0.00 0.00 0.23 0.13 0.00 0.00 177.20 177.56 2gqi n MET 32 N 4.88 -1.22 -3.75 -1.24 2.81 -1.26 -2.45 117.12 114.89 2gqi n MET 32 Ca 0.37 -1.55 -0.09 0.00 -1.81 0.00 0.00 57.70 54.61 2gqi n MET 32 Cb -0.05 -1.08 -0.03 0.00 -0.71 0.00 0.00 33.22 31.34 2gqi n MET 32 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 2gqi s PHE 33 N -3.14 -0.13 -0.50 2.03 0.08 -1.10 -3.28 117.98 111.94 2gqi s PHE 33 Ca 0.58 -0.22 0.04 0.00 0.12 0.00 0.00 56.93 57.44 2gqi s PHE 33 Cb -0.02 0.45 0.13 0.00 -0.57 0.00 0.00 43.02 43.01 2gqi s PHE 33 CO 0.41 -0.97 0.25 0.42 -0.10 0.00 0.00 175.22 175.22 2gqi s ILE 34 N -3.88 2.35 -0.22 0.64 1.01 -1.25 -3.75 121.20 116.09 2gqi s ILE 34 Ca 0.10 -3.15 -0.32 0.00 0.00 0.00 0.00 60.65 57.28 2gqi s ILE 34 Cb -0.02 -2.63 -0.09 0.00 0.01 0.00 0.00 42.46 39.73 2gqi s ILE 34 CO -0.01 -0.81 2.13 0.52 0.00 0.00 0.00 174.94 176.77 2gqi n VAL 35 N 3.22 0.37 -0.08 2.92 0.31 0.40 -3.58 118.33 121.89 2gqi n VAL 35 Ca 0.06 -0.31 -0.14 0.00 -0.01 0.00 0.00 64.34 63.93 2gqi n VAL 35 Cb 0.33 -2.13 -0.06 0.00 -0.91 0.00 0.00 33.84 31.06 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 9.89 0.00 -4.63 3.52 8.25 -0.62 -3.27 115.22 128.36 2gqi n HIS 36 Ca 0.31 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.45 2gqi n HIS 36 Cb 0.35 -0.58 -0.11 0.00 1.12 0.00 0.00 29.99 30.76 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 -6.02 4.43 -0.38 0.41 2.47 -1.12 -4.90 114.94 109.84 2gqi s ASN 37 Ca -0.22 -0.14 -0.02 0.00 0.42 0.00 0.00 52.86 52.91 2gqi s ASN 37 Cb 0.07 -1.02 0.09 0.00 -1.45 0.00 0.00 41.25 38.95 2gqi s ASN 37 CO 0.31 0.32 0.14 -1.61 -3.72 0.00 0.00 177.10 172.55 2gqi s GLU 38 N -1.06 2.05 0.37 0.43 2.02 -1.26 -2.15 118.70 119.10 2gqi s GLU 38 Ca 0.14 -1.69 0.08 0.00 0.02 0.00 0.00 54.97 53.51 2gqi s GLU 38 Cb -0.11 -3.45 -0.03 0.00 0.10 0.00 0.00 34.13 30.63 2gqi s GLU 38 CO 0.04 -0.95 0.26 -0.51 0.02 0.00 0.00 175.26 174.11 2gqi s LEU 39 N 1.14 3.37 0.00 1.80 1.02 -0.90 -5.04 118.68 120.07 2gqi s LEU 39 Ca 0.05 -0.73 -0.05 0.00 0.02 0.00 0.00 54.13 53.42 2gqi s LEU 39 Cb -0.22 -1.92 0.10 0.00 0.02 0.00 0.00 46.19 44.18 2gqi s LEU 39 CO -0.04 -0.45 0.62 -1.84 0.02 0.00 0.00 176.35 174.66 2gqi n GLU 40 N -1.34 -0.30 -2.35 1.70 0.00 -1.26 -3.79 120.64 113.30 2gqi n GLU 40 Ca -0.01 -1.20 -0.18 0.00 0.00 0.00 0.00 57.16 55.78 2gqi n GLU 40 Cb 0.61 -0.56 -0.01 0.00 0.00 0.00 0.00 31.44 31.49 2gqi n GLU 40 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2gqi n ASP 41 N -3.25 -5.26 -3.20 -1.84 9.92 -1.26 -3.39 116.55 108.26 2gqi n ASP 41 Ca 0.09 -0.02 -0.06 0.00 -0.53 0.00 0.00 54.79 54.26 2gqi n ASP 41 Cb 0.30 -4.33 0.01 0.00 -0.64 0.00 0.00 41.12 36.46 2gqi n ASP 41 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2gqi n GLY 42 N -1.02 -1.23 3.39 0.44 0.00 -1.26 -4.97 105.19 100.54 2gqi n GLY 42 Ca -0.21 0.50 -0.15 0.00 0.00 0.00 0.00 46.02 46.16 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 -3.07 -0.46 -0.19 1.61 0.52 -1.22 -3.63 118.94 112.50 2gqi s TRP 43 Ca 0.08 0.92 -0.09 0.00 0.02 0.00 0.00 56.10 57.03 2gqi s TRP 43 Cb -0.02 0.23 0.07 0.00 -1.15 0.00 0.00 33.47 32.60 2gqi s TRP 43 CO 0.77 -0.42 0.45 -1.64 0.02 0.00 0.00 176.95 176.13 2gqi s MET 44 N -0.73 0.41 -0.71 4.98 -1.94 -0.93 -2.11 119.30 118.27 2gqi s MET 44 Ca -0.08 0.91 -0.26 0.00 -1.71 0.00 0.00 55.69 54.55 2gqi s MET 44 Cb -0.03 0.10 -0.03 0.00 2.01 0.00 0.00 34.83 36.88 2gqi s MET 44 CO 0.05 -0.18 1.87 -0.46 -0.01 0.00 0.00 175.02 176.29 2gqi s TRP 45 N 1.77 1.72 0.40 -0.03 -0.11 -0.91 -3.02 118.94 118.75 2gqi s TRP 45 Ca -0.08 0.71 0.08 0.00 1.22 0.00 0.00 56.10 58.03 2gqi s TRP 45 Cb -0.09 -4.09 -0.05 0.00 -1.50 0.00 0.00 33.47 27.74 2gqi s TRP 45 CO -0.14 -2.13 0.19 0.14 -4.62 0.00 0.00 176.95 170.39 2gqi s VAL 46 N 9.27 2.51 -0.41 5.86 -7.23 -0.84 -1.59 120.40 127.97 2gqi s VAL 46 Ca 0.67 -1.66 0.02 0.00 -1.81 0.00 0.00 61.98 59.21 2gqi s VAL 46 Cb -0.11 -2.99 0.12 0.00 0.56 0.00 0.00 36.38 33.97 2gqi s VAL 46 CO 0.14 -0.04 0.18 -0.89 -0.31 0.00 0.00 175.10 174.17 2gqi s THR 47 N -2.54 1.67 0.18 5.32 2.01 -1.23 -1.92 115.64 119.12 2gqi s THR 47 Ca 0.41 -2.42 -0.25 0.00 0.31 0.00 0.00 61.69 59.74 2gqi s THR 47 Cb 0.01 -2.20 -0.15 0.00 0.01 0.00 0.00 72.50 70.18 2gqi s THR 47 CO 0.23 -0.78 0.46 -3.20 -0.69 0.00 0.00 174.62 170.64 2gqi n ASN 48 N 3.85 -1.11 0.01 3.53 2.85 -0.68 -3.95 115.26 119.77 2gqi n ASN 48 Ca 0.05 1.00 -0.09 0.00 -0.11 0.00 0.00 54.58 55.43 2gqi n ASN 48 Cb 0.37 -0.84 -0.13 0.00 1.24 0.00 0.00 39.78 40.41 2gqi n ASN 48 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 2gqi h LEU 49 N 0.89 0.06 0.09 1.20 3.38 -1.90 -2.35 115.31 116.69 2gqi h LEU 49 Ca -0.25 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.62 2gqi h LEU 49 Cb 1.28 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.01 2gqi h LEU 49 CO 0.51 1.08 -0.04 -0.09 0.09 0.00 0.00 178.44 179.99 2gqi h ARG 50 N 0.01 -0.11 0.00 1.13 2.43 -1.89 -3.35 114.38 112.60 2gqi h ARG 50 Ca -0.20 0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 58.90 2gqi h ARG 50 Cb 1.94 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 31.50 2gqi h ARG 50 CO 0.10 -0.07 -0.36 1.79 -1.51 0.00 0.00 179.97 179.92 2gqi h THR 51 N -0.32 1.09 -3.76 0.20 1.35 -1.91 -3.47 112.91 106.09 2gqi h THR 51 Ca -0.01 -1.31 -0.22 0.00 -0.55 0.00 0.00 66.41 64.32 2gqi h THR 51 Cb 0.09 1.74 0.08 0.00 -1.73 0.00 0.00 68.15 68.33 2gqi h THR 51 CO 0.02 0.35 -0.39 -0.67 -0.25 0.00 0.00 175.52 174.58 2gqi n ASP 52 N -3.86 -4.37 -4.32 5.36 2.03 -0.88 -5.04 116.55 105.47 2gqi n ASP 52 Ca -0.01 -0.31 -0.26 0.00 0.52 0.00 0.00 54.79 54.72 2gqi n ASP 52 Cb 0.43 -3.07 -0.13 0.00 -0.72 0.00 0.00 41.12 37.62 2gqi n ASP 52 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2gqi s GLU 53 N -5.70 1.32 0.08 -0.67 2.02 -1.23 -4.92 118.70 109.59 2gqi s GLU 53 Ca 0.32 -1.20 -0.06 0.00 0.02 0.00 0.00 54.97 54.05 2gqi s GLU 53 Cb -0.14 -1.64 -0.05 0.00 0.10 0.00 0.00 34.13 32.40 2gqi s GLU 53 CO 0.41 0.39 0.34 -0.65 0.02 0.00 0.00 175.26 175.77 2gqi s GLN 54 N -1.81 3.63 0.00 1.61 -0.21 -1.26 -1.69 119.66 119.93 2gqi s GLN 54 Ca 0.10 -0.03 0.00 0.00 0.02 0.00 0.00 55.36 55.44 2gqi s GLN 54 Cb -0.10 -2.97 0.00 0.00 1.00 0.00 0.00 33.01 30.94 2gqi s GLN 54 CO 0.04 0.56 0.00 0.41 -2.12 0.00 0.00 175.29 174.18 2gqi n GLY 55 N 0.65 -0.78 3.40 3.09 0.00 -0.81 -4.86 105.19 105.89 2gqi n GLY 55 Ca -0.07 -0.67 -0.32 0.00 0.00 0.00 0.00 46.02 44.96 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 2.53 0.04 0.99 1.43 -1.23 -1.98 118.68 120.47 2gqi s LEU 56 Ca 0.00 -0.31 0.03 0.00 -1.03 0.00 0.00 54.13 52.82 2gqi s LEU 56 Cb 0.00 -1.51 -0.02 0.00 0.03 0.00 0.00 46.19 44.69 2gqi s LEU 56 CO 0.00 0.29 -0.09 0.27 0.23 0.00 0.00 176.35 177.05 2gqi s ILE 57 N -0.43 0.65 0.23 -0.59 -4.36 -1.17 -4.29 121.20 111.24 2gqi s ILE 57 Ca 0.05 -1.06 -0.29 0.00 -0.26 0.00 0.00 60.65 59.09 2gqi s ILE 57 Cb -0.12 -0.68 -0.09 0.00 1.25 0.00 0.00 42.46 42.82 2gqi s ILE 57 CO 0.02 -0.31 0.92 0.54 0.24 0.00 0.00 174.94 176.35 2gqi s VAL 58 N -1.26 4.11 -2.00 8.37 0.11 -1.26 -2.19 120.40 126.28 2gqi s VAL 58 Ca -0.07 2.04 0.06 0.00 -2.93 0.00 0.00 61.98 61.07 2gqi s VAL 58 Cb -0.09 -4.30 0.17 0.00 -1.53 0.00 0.00 36.38 30.63 2gqi s VAL 58 CO 0.01 0.50 1.13 -1.84 -3.33 0.00 0.00 175.10 171.57 2gqi n GLU 59 N 1.51 0.88 -0.02 1.54 0.28 -1.24 -2.78 120.64 120.81 2gqi n GLU 59 Ca -0.03 0.00 0.04 0.00 -0.16 0.00 0.00 57.16 57.01 2gqi n GLU 59 Cb 0.47 -1.11 -0.14 0.00 1.43 0.00 0.00 31.44 32.09 2gqi n GLU 59 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 2gqi n ASP 60 N -0.61 0.17 0.06 -1.84 2.03 -1.26 -4.25 116.55 110.85 2gqi n ASP 60 Ca 0.05 0.07 0.11 0.00 0.52 0.00 0.00 54.79 55.54 2gqi n ASP 60 Cb 0.02 1.39 -0.00 0.00 -0.72 0.00 0.00 41.12 41.81 2gqi n ASP 60 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2gqi n LEU 61 N -2.50 0.63 -4.81 -2.67 4.77 -1.12 -4.92 117.00 106.38 2gqi n LEU 61 Ca -0.12 0.16 -0.23 0.00 -0.03 0.00 0.00 56.01 55.79 2gqi n LEU 61 Cb 0.76 -0.07 -0.05 0.00 -2.33 0.00 0.00 43.42 41.73 2gqi n LEU 61 CO 0.44 -0.07 -0.19 0.68 -1.33 0.00 0.00 177.39 176.92 2gqi s VAL 62 N -3.32 4.40 0.15 4.08 -7.23 -1.23 -2.77 120.40 114.49 2gqi s VAL 62 Ca 0.00 -1.35 0.08 0.00 -1.81 0.00 0.00 61.98 58.91 2gqi s VAL 62 Cb 0.12 -3.34 -0.04 0.00 0.56 0.00 0.00 36.38 33.68 2gqi s VAL 62 CO 0.81 -0.29 -0.19 -1.83 -0.31 0.00 0.00 175.10 173.29 2gqi s GLU 63 N -3.64 1.25 0.02 4.82 -1.05 -0.13 -4.88 118.70 115.08 2gqi s GLU 63 Ca 0.32 -1.36 -0.26 0.00 -0.15 0.00 0.00 54.97 53.52 2gqi s GLU 63 Cb -0.08 -1.34 -0.05 0.00 -0.44 0.00 0.00 34.13 32.22 2gqi s GLU 63 CO 0.24 0.28 0.82 -1.83 0.95 0.00 0.00 175.26 175.72 2gqi s GLU 64 N -2.64 4.52 -0.38 -4.83 -1.05 -1.26 -1.33 118.70 111.73 2gqi s GLU 64 Ca 0.14 1.15 0.06 0.00 -0.15 0.00 0.00 54.97 56.17 2gqi s GLU 64 Cb -0.06 -3.41 0.63 0.00 -0.44 0.00 0.00 34.13 30.84 2gqi s GLU 64 CO 0.06 0.15 1.76 1.33 0.95 0.00 0.00 175.26 179.51 2gqi n VAL 65 N 3.27 2.96 -3.49 1.83 0.24 -1.25 -4.86 118.33 117.02 2gqi n VAL 65 Ca 0.00 -2.15 -0.42 0.00 -2.04 0.00 0.00 64.34 59.73 2gqi n VAL 65 Cb 0.50 -0.41 -0.06 0.00 -1.47 0.00 0.00 33.84 32.41 2gqi n VAL 65 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2gqi s SER 66 N -1.67 6.00 0.00 -1.34 0.15 -1.26 -5.04 113.70 110.54 2gqi s SER 66 Ca 0.53 -2.42 0.00 0.00 0.70 0.00 0.00 55.95 54.76 2gqi s SER 66 Cb 0.45 -2.06 0.00 0.00 -1.71 0.00 0.00 66.02 62.70 2gqi s SER 66 CO 0.08 -0.58 0.00 0.61 1.20 0.00 0.00 173.24 174.54 2gqi n GLY 67 N 4.24 4.52 0.18 9.45 0.00 -1.26 -5.03 105.19 117.31 2gqi n GLY 67 Ca 0.03 -2.03 -0.02 0.00 0.00 0.00 0.00 46.02 44.00 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 0.19 -6.16 1.61 0.13 -2.04 -3.45 132.00 122.28 2gqi h PRO 68 Ca 0.00 -0.10 -0.62 0.00 -0.87 0.00 0.00 66.00 64.41 2gqi h PRO 68 Cb 0.00 0.00 0.14 0.00 0.13 0.00 0.00 31.00 31.28 2gqi h PRO 68 CO 0.00 0.62 -0.60 0.45 -0.23 0.00 0.00 178.00 178.25 2gqi n SER 69 N -3.98 -1.57 -3.70 1.44 2.88 -1.26 -4.99 113.62 102.44 2gqi n SER 69 Ca -0.02 0.92 -0.13 0.00 -1.33 0.00 0.00 58.87 58.31 2gqi n SER 69 Cb 0.51 -1.01 -0.07 0.00 -0.75 0.00 0.00 64.21 62.89 2gqi n SER 69 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2gqi s SER 70 N -0.96 -0.27 0.00 -3.46 0.01 -1.26 -5.13 113.70 102.64 2gqi s SER 70 Ca 0.62 0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.94 2gqi s SER 70 Cb -0.67 0.39 0.00 0.00 0.21 0.00 0.00 66.02 65.95 2gqi s SER 70 CO 0.60 -0.58 0.00 0.61 0.41 0.00 0.00 173.24 174.27