#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gqi n SER 2 N 0.00 -5.08 -4.23 1.61 7.64 -1.26 -4.99 113.62 107.32 2gqi n SER 2 Ca 0.00 -0.67 -0.30 0.00 1.01 0.00 0.00 58.87 58.91 2gqi n SER 2 Cb 0.00 -4.48 -0.16 0.00 -1.01 0.00 0.00 64.21 58.56 2gqi n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2gqi s SER 3 N -3.45 2.87 0.12 6.43 1.04 -1.26 -5.04 113.70 114.40 2gqi s SER 3 Ca 0.55 -0.49 0.00 0.00 0.48 0.00 0.00 55.95 56.49 2gqi s SER 3 Cb -0.26 -0.91 0.00 0.00 0.10 0.00 0.00 66.02 64.95 2gqi s SER 3 CO 0.78 0.20 0.00 0.61 0.98 0.00 0.00 173.24 175.81 2gqi n GLY 4 N 3.13 -3.10 3.39 7.32 0.00 -1.26 -4.94 105.19 109.74 2gqi n GLY 4 Ca -0.18 -1.19 -0.36 0.00 0.00 0.00 0.00 46.02 44.29 2gqi n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2gqi s SER 5 N -3.32 4.87 -0.39 1.61 0.15 -1.26 -5.06 113.70 110.30 2gqi s SER 5 Ca 0.00 -0.32 0.03 0.00 0.70 0.00 0.00 55.95 56.36 2gqi s SER 5 Cb 0.00 -1.86 0.11 0.00 -1.71 0.00 0.00 66.02 62.56 2gqi s SER 5 CO 0.00 -0.05 0.13 -0.44 1.20 0.00 0.00 173.24 174.09 2gqi s SER 6 N 1.56 4.41 -0.33 5.45 0.01 -1.26 -5.06 113.70 118.48 2gqi s SER 6 Ca 0.06 -2.36 0.03 0.00 1.31 0.00 0.00 55.95 54.98 2gqi s SER 6 Cb -0.15 -1.45 0.10 0.00 0.21 0.00 0.00 66.02 64.73 2gqi s SER 6 CO 0.01 -0.33 0.06 -0.83 0.41 0.00 0.00 173.24 172.56 2gqi s GLY 7 N 0.63 1.72 -0.37 3.44 0.00 -1.26 -5.08 107.32 106.40 2gqi s GLY 7 Ca 0.13 -2.31 -0.40 0.00 0.00 0.00 0.00 44.72 42.14 2gqi s GLY 7 CO -0.07 1.11 1.32 -2.13 0.00 0.00 0.00 173.10 173.32 2gqi n ARG 8 N 4.40 0.00 -3.82 2.90 0.63 -1.26 -4.53 116.66 114.98 2gqi n ARG 8 Ca 0.02 0.00 -0.32 0.00 -0.92 0.00 0.00 57.85 56.63 2gqi n ARG 8 Cb 0.42 -1.31 -0.05 0.00 0.45 0.00 0.00 32.46 31.98 2gqi n ARG 8 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 2gqi s ARG 9 N 2.21 3.51 0.22 -0.14 3.52 -1.26 -1.63 118.95 125.38 2gqi s ARG 9 Ca 0.90 -0.25 -0.03 0.00 -0.13 0.00 0.00 55.73 56.21 2gqi s ARG 9 Cb -1.28 -3.02 -0.03 0.00 -1.56 0.00 0.00 34.95 29.07 2gqi s ARG 9 CO 0.68 0.60 0.23 0.14 -0.81 0.00 0.00 175.30 176.14 2gqi s VAL 10 N -1.45 0.00 -0.05 7.11 -7.23 -1.25 -3.67 120.40 113.86 2gqi s VAL 10 Ca 0.33 -1.85 -0.04 0.00 -1.81 0.00 0.00 61.98 58.61 2gqi s VAL 10 Cb -0.13 -2.44 0.02 0.00 0.56 0.00 0.00 36.38 34.39 2gqi s VAL 10 CO 0.23 0.00 0.12 -0.60 -0.31 0.00 0.00 175.10 174.54 2gqi s ARG 11 N -4.05 0.12 -0.34 4.82 3.52 -0.98 -2.03 118.95 120.01 2gqi s ARG 11 Ca 0.35 0.22 -0.29 0.00 -0.13 0.00 0.00 55.73 55.89 2gqi s ARG 11 Cb 0.05 -0.01 0.01 0.00 -1.56 0.00 0.00 34.95 33.43 2gqi s ARG 11 CO 0.12 -0.06 1.26 0.00 -0.81 0.00 0.00 175.30 175.81 2gqi s ALA 12 N 0.41 3.31 -0.56 6.12 0.00 0.56 -1.89 121.76 129.72 2gqi s ALA 12 Ca -0.03 -0.04 0.25 0.00 0.00 0.00 0.00 51.96 52.14 2gqi s ALA 12 Cb -0.04 -3.80 0.70 0.00 0.00 0.00 0.00 23.12 19.98 2gqi s ALA 12 CO -0.02 -1.88 1.73 -0.84 0.00 0.00 0.00 175.76 174.75 2gqi h ILE 13 N 6.03 0.00 -3.41 0.00 3.07 -1.88 -1.07 117.51 120.25 2gqi h ILE 13 Ca -0.25 -0.63 -0.14 0.00 1.55 0.00 0.00 64.86 65.39 2gqi h ILE 13 Cb 1.09 1.61 -0.21 0.00 -0.27 0.00 0.00 36.82 39.04 2gqi h ILE 13 CO 1.05 0.00 -0.45 -0.76 -1.05 0.00 0.00 178.15 176.95 2gqi s LEU 14 N -5.18 1.40 0.37 0.16 1.43 -1.26 -4.79 118.68 110.81 2gqi s LEU 14 Ca 0.08 -0.12 -0.27 0.00 -1.03 0.00 0.00 54.13 52.79 2gqi s LEU 14 Cb 0.09 0.79 -0.09 0.00 0.03 0.00 0.00 46.19 47.01 2gqi s LEU 14 CO 0.60 -0.37 1.20 -2.16 0.23 0.00 0.00 176.35 175.85 2gqi s PRO 15 N -1.30 4.18 0.05 1.29 0.04 -1.26 -4.49 135.00 133.50 2gqi s PRO 15 Ca -0.14 1.95 -0.01 0.00 0.04 0.00 0.00 61.00 62.84 2gqi s PRO 15 Cb -0.07 -2.83 -0.04 0.00 0.04 0.00 0.00 34.50 31.60 2gqi s PRO 15 CO 0.02 -0.24 -0.03 -0.47 0.04 0.00 0.00 177.00 176.32 2gqi s TYR 16 N -1.31 0.50 -0.17 0.56 5.04 -1.07 -4.97 117.35 115.93 2gqi s TYR 16 Ca 0.54 -1.00 0.00 0.00 -2.44 0.00 0.00 57.07 54.17 2gqi s TYR 16 Cb -0.34 -0.37 0.01 0.00 0.35 0.00 0.00 41.96 41.61 2gqi s TYR 16 CO 0.43 -0.35 -0.17 0.99 -1.34 0.00 0.00 175.55 175.11 2gqi s THR 17 N -3.61 2.39 0.70 4.34 2.01 -1.26 -3.33 115.64 116.87 2gqi s THR 17 Ca 0.04 -0.84 -0.15 0.00 0.31 0.00 0.00 61.69 61.05 2gqi s THR 17 Cb 0.06 -2.01 0.02 0.00 0.01 0.00 0.00 72.50 70.58 2gqi s THR 17 CO -0.09 0.52 1.17 -1.59 -0.69 0.00 0.00 174.62 173.94 2gqi s LYS 18 N 1.14 2.40 0.01 4.92 -2.85 -1.26 -4.96 119.74 119.13 2gqi s LYS 18 Ca 0.01 1.63 -0.16 0.00 -1.00 0.00 0.00 55.97 56.44 2gqi s LYS 18 Cb -0.14 -1.88 -0.06 0.00 -2.06 0.00 0.00 37.83 33.69 2gqi s LYS 18 CO -0.07 -1.60 0.46 0.08 0.10 0.00 0.00 175.35 174.32 2gqi s VAL 19 N -2.10 4.97 0.86 1.79 1.01 -1.26 -4.97 120.40 120.70 2gqi s VAL 19 Ca 0.72 0.95 -0.11 0.00 0.00 0.00 0.00 61.98 63.54 2gqi s VAL 19 Cb -0.26 -3.77 0.11 0.00 0.00 0.00 0.00 36.38 32.45 2gqi s VAL 19 CO 0.43 0.54 1.09 -2.16 0.00 0.00 0.00 175.10 175.01 2gqi s PRO 20 N -0.89 1.57 -1.68 2.72 0.04 -1.26 -3.66 135.00 131.85 2gqi s PRO 20 Ca 0.25 0.93 0.00 0.00 0.04 0.00 0.00 61.00 62.22 2gqi s PRO 20 Cb -0.17 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.53 2gqi s PRO 20 CO 0.14 -2.06 0.00 -0.25 0.04 0.00 0.00 177.00 174.88 2gqi n ASP 21 N -3.77 -5.22 -3.45 6.66 8.00 -1.26 -4.96 116.55 112.56 2gqi n ASP 21 Ca 0.08 0.16 -0.15 0.00 0.71 0.00 0.00 54.79 55.59 2gqi n ASP 21 Cb 0.55 -4.29 -0.06 0.00 -0.02 0.00 0.00 41.12 37.30 2gqi n ASP 21 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2gqi s THR 22 N -2.81 0.00 -0.37 -3.53 -4.23 -1.24 -5.04 115.64 98.41 2gqi s THR 22 Ca 0.00 -1.70 0.08 0.00 -1.18 0.00 0.00 61.69 58.89 2gqi s THR 22 Cb 0.00 -2.56 0.72 0.00 1.34 0.00 0.00 72.50 72.01 2gqi s THR 22 CO 0.00 0.00 1.85 0.47 -0.54 0.00 0.00 174.62 176.40 2gqi n ASP 23 N -1.21 4.48 -4.73 3.99 9.92 -1.26 -4.98 116.55 122.76 2gqi n ASP 23 Ca 0.02 -3.35 -0.29 0.00 -0.53 0.00 0.00 54.79 50.64 2gqi n ASP 23 Cb 0.62 -0.78 0.15 0.00 -0.64 0.00 0.00 41.12 40.47 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 -3.08 0.95 -0.01 -1.24 2.02 -1.26 -3.27 118.70 112.81 2gqi s GLU 24 Ca 0.56 0.48 0.01 0.00 0.02 0.00 0.00 54.97 56.04 2gqi s GLU 24 Cb 0.45 -1.80 0.00 0.00 0.10 0.00 0.00 34.13 32.89 2gqi s GLU 24 CO 0.13 -2.37 -0.02 0.96 0.02 0.00 0.00 175.26 173.98 2gqi s ILE 25 N -3.09 0.23 0.25 -1.63 -4.36 -1.26 -4.80 121.20 106.54 2gqi s ILE 25 Ca 0.64 -0.09 -0.09 0.00 -0.26 0.00 0.00 60.65 60.86 2gqi s ILE 25 Cb -0.17 -0.22 -0.07 0.00 1.25 0.00 0.00 42.46 43.25 2gqi s ILE 25 CO 0.56 0.08 0.56 -0.94 0.24 0.00 0.00 174.94 175.44 2gqi s SER 26 N 0.16 6.58 0.20 4.36 1.04 -1.26 -4.43 113.70 120.35 2gqi s SER 26 Ca -0.01 0.89 -0.05 0.00 0.48 0.00 0.00 55.95 57.25 2gqi s SER 26 Cb -0.04 -2.21 -0.03 0.00 0.10 0.00 0.00 66.02 63.84 2gqi s SER 26 CO -0.00 -0.11 0.23 0.72 0.98 0.00 0.00 173.24 175.06 2gqi s PHE 27 N -1.89 0.81 0.21 5.02 -0.71 -1.21 -4.96 117.98 115.24 2gqi s PHE 27 Ca 0.47 -1.10 0.08 0.00 -1.04 0.00 0.00 56.93 55.33 2gqi s PHE 27 Cb -0.11 -0.29 -0.05 0.00 -1.21 0.00 0.00 43.02 41.37 2gqi s PHE 27 CO 0.23 -0.72 -0.15 -0.51 -1.34 0.00 0.00 175.22 172.73 2gqi s LEU 28 N -3.08 2.56 -0.23 -1.99 1.43 -1.26 -2.59 118.68 113.51 2gqi s LEU 28 Ca 0.30 -1.02 -0.35 0.00 -1.03 0.00 0.00 54.13 52.03 2gqi s LEU 28 Cb 0.05 -0.70 -0.11 0.00 0.03 0.00 0.00 46.19 45.45 2gqi s LEU 28 CO 0.08 -0.15 2.03 1.17 0.23 0.00 0.00 176.35 179.70 2gqi n LYS 29 N -0.38 1.59 0.00 1.70 4.81 -1.26 -1.39 118.16 123.23 2gqi n LYS 29 Ca -0.08 0.52 0.00 0.00 -0.87 0.00 0.00 58.31 57.88 2gqi n LYS 29 Cb 0.60 -2.57 0.00 0.00 0.02 0.00 0.00 35.03 33.08 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 5.39 1.29 3.76 3.14 0.00 -0.40 -5.00 105.19 113.36 2gqi n GLY 30 Ca 0.31 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.98 2gqi n GLY 30 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2gqi s ASP 31 N -2.00 6.07 0.78 1.61 1.11 -0.48 -4.91 116.67 118.85 2gqi s ASP 31 Ca 0.00 0.27 -0.03 0.00 0.18 0.00 0.00 52.55 52.97 2gqi s ASP 31 Cb 0.00 -2.01 0.16 0.00 1.07 0.00 0.00 42.92 42.14 2gqi s ASP 31 CO 0.00 0.27 1.07 -0.04 1.18 0.00 0.00 175.17 177.65 2gqi s MET 32 N -0.19 1.38 0.31 8.23 -1.94 -1.26 -0.32 119.30 125.50 2gqi s MET 32 Ca 0.10 -1.13 -0.19 0.00 -1.71 0.00 0.00 55.69 52.75 2gqi s MET 32 Cb -0.12 -2.26 0.04 0.00 2.01 0.00 0.00 34.83 34.50 2gqi s MET 32 CO 0.01 -1.70 0.77 -0.06 -0.01 0.00 0.00 175.02 174.03 2gqi s PHE 33 N -3.29 -0.06 -0.41 -0.03 0.40 -0.86 -3.66 117.98 110.08 2gqi s PHE 33 Ca 0.69 -0.47 0.01 0.00 -0.60 0.00 0.00 56.93 56.57 2gqi s PHE 33 Cb -0.04 0.75 0.14 0.00 0.51 0.00 0.00 43.02 44.39 2gqi s PHE 33 CO 0.46 -1.33 0.24 0.42 0.70 0.00 0.00 175.22 175.72 2gqi s ILE 34 N -3.23 0.79 -0.28 0.64 1.01 -1.22 -3.76 121.20 115.15 2gqi s ILE 34 Ca 0.13 -2.24 -0.34 0.00 0.00 0.00 0.00 60.65 58.19 2gqi s ILE 34 Cb -0.05 -1.56 -0.11 0.00 0.01 0.00 0.00 42.46 40.75 2gqi s ILE 34 CO 0.08 -0.97 2.10 0.52 0.00 0.00 0.00 174.94 176.67 2gqi n VAL 35 N 3.65 0.29 -0.10 2.92 0.31 -0.64 -3.22 118.33 121.54 2gqi n VAL 35 Ca 0.12 -0.24 -0.16 0.00 -0.01 0.00 0.00 64.34 64.05 2gqi n VAL 35 Cb 0.37 -1.78 -0.09 0.00 -0.91 0.00 0.00 33.84 31.44 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 9.16 0.00 -4.11 3.52 8.25 -0.70 -4.08 115.22 127.26 2gqi n HIS 36 Ca 0.35 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.56 2gqi n HIS 36 Cb 0.26 -0.76 -0.17 0.00 1.12 0.00 0.00 29.99 30.44 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 -6.20 1.95 -0.48 0.41 2.47 -1.15 -4.99 114.94 106.95 2gqi s ASN 37 Ca -0.28 -0.28 -0.18 0.00 0.42 0.00 0.00 52.86 52.54 2gqi s ASN 37 Cb 0.08 -0.79 0.06 0.00 -1.45 0.00 0.00 41.25 39.14 2gqi s ASN 37 CO 0.43 -0.07 0.54 -1.61 -3.72 0.00 0.00 177.10 172.67 2gqi s GLU 38 N 1.36 3.09 0.62 0.43 2.02 -1.26 -0.30 118.70 124.66 2gqi s GLU 38 Ca -0.02 -0.97 -0.11 0.00 0.02 0.00 0.00 54.97 53.90 2gqi s GLU 38 Cb -0.14 -4.09 0.14 0.00 0.10 0.00 0.00 34.13 30.15 2gqi s GLU 38 CO -0.04 -1.12 0.80 1.28 0.02 0.00 0.00 175.26 176.20 2gqi n LEU 39 N 5.86 0.00 -0.06 1.80 7.99 -0.74 -5.02 117.00 126.84 2gqi n LEU 39 Ca -0.08 -0.88 -0.08 0.00 -0.01 0.00 0.00 56.01 54.96 2gqi n LEU 39 Cb 0.45 -0.62 -0.05 0.00 -0.11 0.00 0.00 43.42 43.09 2gqi n LEU 39 CO 0.51 -1.16 -0.87 -0.62 -1.51 0.00 0.00 177.39 173.75 2gqi n GLU 40 N -2.83 0.27 0.18 3.23 1.02 -1.26 -4.54 120.64 116.71 2gqi n GLU 40 Ca 0.10 0.07 0.13 0.00 -0.02 0.00 0.00 57.16 57.44 2gqi n GLU 40 Cb 0.36 -1.17 0.41 0.00 -0.02 0.00 0.00 31.44 31.01 2gqi n GLU 40 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 2gqi h ASP 41 N -0.07 0.00 0.00 1.62 5.19 -2.03 -3.41 116.42 117.71 2gqi h ASP 41 Ca -0.26 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.15 2gqi h ASP 41 Cb 1.36 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.87 2gqi h ASP 41 CO -0.06 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 176.67 2gqi n GLY 42 N -1.48 1.81 3.65 2.75 0.00 -1.26 -5.14 105.19 105.52 2gqi n GLY 42 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.92 1.85 -0.24 1.61 0.52 -1.26 -3.39 118.94 116.11 2gqi s TRP 43 Ca 0.00 -1.09 -0.12 0.00 0.02 0.00 0.00 56.10 54.91 2gqi s TRP 43 Cb 0.00 -1.42 0.08 0.00 -1.15 0.00 0.00 33.47 30.98 2gqi s TRP 43 CO 0.00 0.00 0.56 -1.64 0.02 0.00 0.00 176.95 175.89 2gqi s MET 44 N -3.80 0.54 -0.92 4.98 -1.94 -0.79 -1.78 119.30 115.59 2gqi s MET 44 Ca 0.14 1.09 -0.25 0.00 -1.71 0.00 0.00 55.69 54.97 2gqi s MET 44 Cb 0.02 0.22 -0.06 0.00 2.01 0.00 0.00 34.83 37.01 2gqi s MET 44 CO 0.08 -0.17 2.00 -0.46 -0.01 0.00 0.00 175.02 176.46 2gqi s TRP 45 N 1.87 1.73 0.22 -0.03 -0.11 0.59 -3.31 118.94 119.91 2gqi s TRP 45 Ca -0.08 0.80 0.06 0.00 1.22 0.00 0.00 56.10 58.09 2gqi s TRP 45 Cb -0.08 -3.96 -0.03 0.00 -1.50 0.00 0.00 33.47 27.89 2gqi s TRP 45 CO -0.17 -1.66 0.24 0.14 -4.62 0.00 0.00 176.95 170.88 2gqi s VAL 46 N 10.81 4.75 -0.37 5.86 -7.23 -0.90 -1.71 120.40 131.61 2gqi s VAL 46 Ca 0.73 -1.16 0.02 0.00 -1.81 0.00 0.00 61.98 59.75 2gqi s VAL 46 Cb -0.07 -3.53 0.11 0.00 0.56 0.00 0.00 36.38 33.44 2gqi s VAL 46 CO 0.02 -0.27 0.12 -0.89 -0.31 0.00 0.00 175.10 173.76 2gqi s THR 47 N -1.98 2.65 0.22 5.32 2.01 -1.20 -1.88 115.64 120.78 2gqi s THR 47 Ca 0.33 -2.30 -0.31 0.00 0.31 0.00 0.00 61.69 59.72 2gqi s THR 47 Cb -0.09 -2.89 -0.15 0.00 0.01 0.00 0.00 72.50 69.38 2gqi s THR 47 CO 0.26 -0.64 1.10 -3.20 -0.69 0.00 0.00 174.62 171.45 2gqi n ASN 48 N 4.31 1.34 0.12 3.53 2.85 -0.53 -3.44 115.26 123.44 2gqi n ASN 48 Ca 0.02 1.15 0.09 0.00 -0.11 0.00 0.00 54.58 55.74 2gqi n ASN 48 Cb 0.41 -1.25 0.03 0.00 1.24 0.00 0.00 39.78 40.21 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 2.86 0.00 0.04 1.20 3.38 -1.90 -1.16 115.31 119.73 2gqi h LEU 49 Ca -0.41 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.55 2gqi h LEU 49 Cb 1.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.09 2gqi h LEU 49 CO 0.67 0.11 -0.02 -0.09 0.09 0.00 0.00 178.44 179.20 2gqi h ARG 50 N 0.00 -0.05 0.00 1.13 1.12 -1.90 -3.36 114.38 111.32 2gqi h ARG 50 Ca -0.02 0.00 -0.08 0.00 -1.11 0.00 0.00 59.98 58.77 2gqi h ARG 50 Cb 1.11 0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 31.07 2gqi h ARG 50 CO 0.01 0.37 -0.74 1.79 -3.11 0.00 0.00 179.97 178.29 2gqi h THR 51 N -0.99 0.42 -4.13 0.20 1.35 -1.93 -3.48 112.91 104.36 2gqi h THR 51 Ca -0.01 -1.68 -0.23 0.00 -0.55 0.00 0.00 66.41 63.95 2gqi h THR 51 Cb 0.44 2.05 0.09 0.00 -1.73 0.00 0.00 68.15 69.01 2gqi h THR 51 CO 0.01 0.24 -0.45 -0.67 -0.25 0.00 0.00 175.52 174.40 2gqi n ASP 52 N -3.00 -3.74 -4.15 5.36 -0.08 -0.44 -5.04 116.55 105.46 2gqi n ASP 52 Ca -0.01 -0.36 -0.17 0.00 -1.51 0.00 0.00 54.79 52.74 2gqi n ASP 52 Cb 0.69 -3.36 -0.12 0.00 2.34 0.00 0.00 41.12 40.66 2gqi n ASP 52 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 2gqi s GLU 53 N -5.46 0.77 -0.04 -0.67 2.02 -1.20 -4.94 118.70 109.19 2gqi s GLU 53 Ca 0.23 -0.92 -0.06 0.00 0.02 0.00 0.00 54.97 54.24 2gqi s GLU 53 Cb -0.10 -0.74 -0.04 0.00 0.10 0.00 0.00 34.13 33.34 2gqi s GLU 53 CO 0.46 0.16 0.21 -0.65 0.02 0.00 0.00 175.26 175.46 2gqi s GLN 54 N -1.70 3.52 0.00 1.61 -0.21 -1.26 -1.45 119.66 120.16 2gqi s GLN 54 Ca -0.03 -0.14 -0.30 0.00 0.02 0.00 0.00 55.36 54.92 2gqi s GLN 54 Cb -0.10 -3.12 0.11 0.00 1.00 0.00 0.00 33.01 30.90 2gqi s GLN 54 CO 0.02 0.70 1.26 0.20 -2.12 0.00 0.00 175.29 175.35 2gqi s GLY 55 N -1.53 -0.36 0.03 3.09 0.00 -0.79 -4.81 107.32 102.96 2gqi s GLY 55 Ca 0.23 0.55 -0.18 0.00 0.00 0.00 0.00 44.72 45.32 2gqi s GLY 55 CO 0.13 0.77 0.53 1.08 0.00 0.00 0.00 173.10 175.61 2gqi s LEU 56 N -3.08 4.49 0.06 0.66 1.43 -1.20 -2.11 118.68 118.92 2gqi s LEU 56 Ca 0.16 1.15 -0.06 0.00 -1.03 0.00 0.00 54.13 54.35 2gqi s LEU 56 Cb 0.04 -2.81 -0.01 0.00 0.03 0.00 0.00 46.19 43.43 2gqi s LEU 56 CO -0.03 0.25 0.11 0.27 0.23 0.00 0.00 176.35 177.18 2gqi s ILE 57 N -0.88 0.15 0.18 -0.59 -4.36 -1.21 -4.05 121.20 110.44 2gqi s ILE 57 Ca 0.28 -1.23 -0.22 0.00 -0.26 0.00 0.00 60.65 59.22 2gqi s ILE 57 Cb -0.18 -1.16 -0.08 0.00 1.25 0.00 0.00 42.46 42.29 2gqi s ILE 57 CO 0.17 -0.68 0.73 0.54 0.24 0.00 0.00 174.94 175.94 2gqi s VAL 58 N -3.26 4.50 -1.37 8.37 0.11 -1.26 -1.88 120.40 125.61 2gqi s VAL 58 Ca 0.00 1.45 0.30 0.00 -2.93 0.00 0.00 61.98 60.81 2gqi s VAL 58 Cb 0.03 -3.98 0.49 0.00 -1.53 0.00 0.00 36.38 31.39 2gqi s VAL 58 CO -0.08 0.38 2.03 -1.84 -3.33 0.00 0.00 175.10 172.26 2gqi n GLU 59 N 1.19 0.37 0.08 1.54 0.28 -1.22 -3.00 120.64 119.88 2gqi n GLU 59 Ca -0.05 0.00 0.13 0.00 -0.16 0.00 0.00 57.16 57.08 2gqi n GLU 59 Cb 0.50 -1.50 0.36 0.00 1.43 0.00 0.00 31.44 32.23 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 -1.31 0.67 -0.42 -1.84 -0.08 -1.26 -3.28 116.55 109.03 2gqi n ASP 60 Ca 0.13 0.41 0.10 0.00 -1.51 0.00 0.00 54.79 53.92 2gqi n ASP 60 Cb 0.25 -0.46 -0.01 0.00 2.34 0.00 0.00 41.12 43.24 2gqi n ASP 60 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2gqi n LEU 61 N -2.09 1.82 -4.59 -2.67 4.77 -1.16 -4.98 117.00 108.10 2gqi n LEU 61 Ca 0.05 -0.75 -0.27 0.00 -0.03 0.00 0.00 56.01 55.02 2gqi n LEU 61 Cb 0.42 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.40 2gqi n LEU 61 CO 0.32 0.35 -0.28 0.68 -1.33 0.00 0.00 177.39 177.12 2gqi s VAL 62 N -2.29 1.72 0.01 4.08 -7.23 -1.21 -3.17 120.40 112.32 2gqi s VAL 62 Ca 0.16 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.33 2gqi s VAL 62 Cb 0.16 -2.88 -0.01 0.00 0.56 0.00 0.00 36.38 34.21 2gqi s VAL 62 CO 0.52 0.00 -0.03 -1.83 -0.31 0.00 0.00 175.10 173.46 2gqi s GLU 63 N -3.76 0.23 -0.06 4.82 -1.05 -0.79 -4.91 118.70 113.17 2gqi s GLU 63 Ca 0.33 -0.32 -0.30 0.00 -0.15 0.00 0.00 54.97 54.53 2gqi s GLU 63 Cb 0.09 -0.06 -0.03 0.00 -0.44 0.00 0.00 34.13 33.69 2gqi s GLU 63 CO 0.16 0.01 1.22 -1.83 0.95 0.00 0.00 175.26 175.77 2gqi s GLU 64 N -0.69 4.34 -0.37 -4.83 -1.05 -1.26 -2.32 118.70 112.52 2gqi s GLU 64 Ca -0.06 1.69 -0.13 0.00 -0.15 0.00 0.00 54.97 56.31 2gqi s GLU 64 Cb -0.05 -3.58 0.01 0.00 -0.44 0.00 0.00 34.13 30.07 2gqi s GLU 64 CO -0.00 -0.48 0.25 0.14 0.95 0.00 0.00 175.26 176.12 2gqi s VAL 65 N 2.34 5.10 -0.01 1.83 -7.23 -1.24 -5.00 120.40 116.18 2gqi s VAL 65 Ca 0.56 -0.53 0.02 0.00 -1.81 0.00 0.00 61.98 60.22 2gqi s VAL 65 Cb -0.25 -3.75 0.00 0.00 0.56 0.00 0.00 36.38 32.95 2gqi s VAL 65 CO 0.22 -0.17 -0.06 -0.55 -0.31 0.00 0.00 175.10 174.23 2gqi s SER 66 N 1.67 0.82 0.00 4.85 0.15 -1.26 -4.87 113.70 115.06 2gqi s SER 66 Ca 0.05 -0.12 0.00 0.00 0.70 0.00 0.00 55.95 56.58 2gqi s SER 66 Cb -0.18 -0.18 0.00 0.00 -1.71 0.00 0.00 66.02 63.95 2gqi s SER 66 CO 0.09 0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.19 2gqi n GLY 67 N 3.19 -2.69 3.56 9.45 0.00 -1.26 -4.77 105.19 112.66 2gqi n GLY 67 Ca -0.16 -1.79 -0.32 0.00 0.00 0.00 0.00 46.02 43.75 2gqi n GLY 67 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2gqi s PRO 68 N -0.56 2.59 -0.22 1.61 0.04 -1.26 -4.94 135.00 132.26 2gqi s PRO 68 Ca 0.00 0.15 -0.29 0.00 0.04 0.00 0.00 61.00 60.91 2gqi s PRO 68 Cb 0.00 -4.73 -0.03 0.00 0.04 0.00 0.00 34.50 29.78 2gqi s PRO 68 CO 0.00 -3.06 1.71 -1.54 0.04 0.00 0.00 177.00 174.14 2gqi s SER 69 N 8.08 6.24 0.27 6.66 1.04 -1.26 -4.97 113.70 129.76 2gqi s SER 69 Ca 0.69 1.65 0.02 0.00 0.48 0.00 0.00 55.95 58.79 2gqi s SER 69 Cb -0.10 -2.53 -0.04 0.00 0.10 0.00 0.00 66.02 63.45 2gqi s SER 69 CO 0.10 -1.36 0.15 -0.94 0.98 0.00 0.00 173.24 172.16 2gqi s SER 70 N 4.81 1.10 0.00 7.02 1.04 -1.26 -5.22 113.70 121.18 2gqi s SER 70 Ca 0.76 -1.49 0.00 0.00 0.48 0.00 0.00 55.95 55.70 2gqi s SER 70 Cb -0.26 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.21 2gqi s SER 70 CO 0.31 -0.85 0.00 0.61 0.98 0.00 0.00 173.24 174.29