#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gnn s THR 14 N 0.00 3.42 -0.23 -0.44 2.01 -1.26 -5.02 115.64 114.11 2gnn s THR 14 Ca 0.00 1.21 -0.28 0.00 0.31 0.00 0.00 61.69 62.93 2gnn s THR 14 Cb 0.00 -3.77 0.00 0.00 0.01 0.00 0.00 72.50 68.74 2gnn s THR 14 CO 0.00 0.20 0.97 -0.54 -0.69 0.00 0.00 174.62 174.56 2gnn s LYS 15 N -0.37 4.24 0.68 4.92 1.02 -1.26 -5.05 119.74 123.91 2gnn s LYS 15 Ca 0.53 1.23 -0.15 0.00 0.02 0.00 0.00 55.97 57.60 2gnn s LYS 15 Cb -0.34 -3.64 0.01 0.00 -0.52 0.00 0.00 37.83 33.34 2gnn s LYS 15 CO 0.38 -0.59 1.13 0.20 -0.92 0.00 0.00 175.35 175.56 2gnn s GLY 16 N 1.24 2.19 0.25 -3.33 0.00 -1.26 -4.77 107.32 101.64 2gnn s GLY 16 Ca 0.41 0.62 -0.03 0.00 0.00 0.00 0.00 44.72 45.72 2gnn s GLY 16 CO 0.07 0.98 1.74 -0.25 0.00 0.00 0.00 173.10 175.64 2gnn h TRP 17 N -0.05 0.60 -0.39 1.90 7.01 -1.99 -1.12 115.95 121.92 2gnn h TRP 17 Ca -0.47 0.03 0.05 0.00 2.11 0.00 0.00 58.89 60.62 2gnn h TRP 17 Cb 1.26 -0.15 -0.05 0.00 -2.10 0.00 0.00 29.16 28.12 2gnn h TRP 17 CO 0.53 0.11 0.10 0.77 -2.79 0.00 0.00 178.44 177.16 2gnn h SER 18 N 0.51 0.06 -0.61 2.65 0.02 -1.99 0.12 113.55 114.31 2gnn h SER 18 Ca 0.43 0.06 -0.04 0.00 -0.84 0.00 0.00 61.79 61.39 2gnn h SER 18 Cb 0.62 0.07 -0.03 0.00 0.14 0.00 0.00 62.40 63.20 2gnn h SER 18 CO -0.38 0.07 0.25 -0.08 -1.14 0.00 0.00 176.83 175.55 2gnn h GLU 19 N 0.24 0.95 -0.24 3.45 4.81 -1.62 -0.76 114.58 121.40 2gnn h GLU 19 Ca 0.18 -0.16 -0.04 0.00 -0.13 0.00 0.00 59.36 59.21 2gnn h GLU 19 Cb 0.20 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 2gnn h GLU 19 CO -0.22 0.78 -0.00 0.28 -0.73 0.00 0.00 179.01 179.12 2gnn h VAL 20 N 0.93 1.26 0.19 0.32 2.07 -0.47 -2.11 116.25 118.44 2gnn h VAL 20 Ca 0.22 -0.91 -0.01 0.00 0.82 0.00 0.00 66.70 66.82 2gnn h VAL 20 Cb 0.19 1.37 -0.00 0.00 -1.52 0.00 0.00 31.29 31.34 2gnn h VAL 20 CO -0.02 0.29 -0.10 0.25 0.02 0.00 0.00 177.57 178.01 2gnn h LEU 21 N 0.21 -0.24 -2.05 2.57 5.85 -0.62 -2.30 115.31 118.73 2gnn h LEU 21 Ca 0.07 0.01 0.12 0.00 0.84 0.00 0.00 57.88 58.92 2gnn h LEU 21 Cb 0.42 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 2gnn h LEU 21 CO 0.01 -0.16 0.34 0.50 -0.34 0.00 0.00 178.44 178.79 2gnn h LYS 22 N -0.27 0.00 0.00 1.25 3.64 -1.10 -0.21 116.57 119.89 2gnn h LYS 22 Ca -0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2gnn h LYS 22 Cb 0.21 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 2gnn h LYS 22 CO 0.03 0.00 -0.38 0.78 -2.27 0.00 0.00 179.45 177.61 2gnn h GLY 23 N 0.00 0.00 -1.35 5.01 0.00 -0.85 -3.32 103.07 102.56 2gnn h GLY 23 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.52 2gnn h GLY 23 CO -0.00 0.00 -0.08 -1.14 0.00 0.00 0.00 176.54 175.32 2gnn n SER 24 N -2.37 2.38 -4.77 0.19 3.41 -0.14 -5.01 113.62 107.31 2gnn n SER 24 Ca 0.04 -1.69 -0.33 0.00 -0.26 0.00 0.00 58.87 56.62 2gnn n SER 24 Cb 0.46 0.10 0.04 0.00 -0.26 0.00 0.00 64.21 64.55 2gnn n SER 24 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 2gnn s GLU 25 N -1.65 2.94 -0.31 4.33 -1.05 -0.90 -0.83 118.70 121.22 2gnn s GLU 25 Ca 0.20 1.41 -0.29 0.00 -0.15 0.00 0.00 54.97 56.15 2gnn s GLU 25 Cb 0.15 -1.97 -0.01 0.00 -0.44 0.00 0.00 34.13 31.86 2gnn s GLU 25 CO 0.28 -1.15 1.60 0.00 0.95 0.00 0.00 175.26 176.94 2gnn s LYS 27 N 5.01 1.37 0.24 0.00 -2.85 -0.54 -4.76 119.74 118.21 2gnn s LYS 27 Ca 0.70 -0.70 -0.30 0.00 -1.00 0.00 0.00 55.97 54.67 2gnn s LYS 27 Cb -0.21 0.50 -0.10 0.00 -2.06 0.00 0.00 37.83 35.97 2gnn s LYS 27 CO 0.31 -0.62 1.38 -2.14 0.10 0.00 0.00 175.35 174.38 2gnn s PRO 28 N -3.56 4.32 0.02 1.78 0.02 -1.26 -1.35 135.00 134.97 2gnn s PRO 28 Ca 0.09 2.21 0.01 0.00 0.02 0.00 0.00 61.00 63.33 2gnn s PRO 28 Cb -0.03 -3.13 -0.01 0.00 0.02 0.00 0.00 34.50 31.34 2gnn s PRO 28 CO 0.00 -0.34 -0.04 1.03 -0.33 0.00 0.00 177.00 177.32 2gnn s ARG 29 N -0.44 0.35 0.36 5.54 0.52 0.54 -4.85 118.95 120.96 2gnn s ARG 29 Ca 0.57 -0.47 -0.28 0.00 -0.52 0.00 0.00 55.73 55.03 2gnn s ARG 29 Cb -0.40 -0.14 -0.10 0.00 0.52 0.00 0.00 34.95 34.84 2gnn s ARG 29 CO 0.43 0.02 1.31 -1.25 0.02 0.00 0.00 175.30 175.83 2gnn s PRO 30 N -1.00 4.22 -0.06 3.54 0.04 -1.26 -0.80 135.00 139.68 2gnn s PRO 30 Ca -0.08 2.21 -0.06 0.00 0.04 0.00 0.00 61.00 63.11 2gnn s PRO 30 Cb -0.07 -2.97 0.02 0.00 0.04 0.00 0.00 34.50 31.52 2gnn s PRO 30 CO -0.00 -0.30 0.18 -1.50 0.04 0.00 0.00 177.00 175.42 2gnn s ILE 31 N -1.18 0.01 -0.14 0.56 2.07 -0.37 -4.91 121.20 117.24 2gnn s ILE 31 Ca 0.52 -0.06 -0.22 0.00 -1.41 0.00 0.00 60.65 59.48 2gnn s ILE 31 Cb -0.39 -0.28 -0.03 0.00 0.13 0.00 0.00 42.46 41.89 2gnn s ILE 31 CO 0.52 -0.03 0.66 -0.69 -1.91 0.00 0.00 174.94 173.49 2gnn s VAL 32 N -0.03 5.03 -0.02 4.00 1.01 -1.26 -1.09 120.40 128.05 2gnn s VAL 32 Ca -0.01 1.29 0.05 0.00 0.00 0.00 0.00 61.98 63.31 2gnn s VAL 32 Cb -0.02 -3.98 -0.01 0.00 0.00 0.00 0.00 36.38 32.37 2gnn s VAL 32 CO 0.00 0.17 -0.16 -0.69 0.00 0.00 0.00 175.10 174.43 2gnn s VAL 33 N 1.41 1.24 0.13 2.92 1.01 0.52 -4.96 120.40 122.66 2gnn s VAL 33 Ca 0.32 -0.66 -0.31 0.00 0.00 0.00 0.00 61.98 61.33 2gnn s VAL 33 Cb -0.16 -1.04 -0.09 0.00 0.00 0.00 0.00 36.38 35.09 2gnn s VAL 33 CO 0.13 0.35 1.54 -2.84 0.00 0.00 0.00 175.10 174.28 2gnn s PRO 34 N -0.31 4.24 0.29 2.72 0.02 -1.26 -0.81 135.00 139.88 2gnn s PRO 34 Ca 0.05 2.28 -0.02 0.00 0.02 0.00 0.00 61.00 63.32 2gnn s PRO 34 Cb -0.07 -3.28 0.42 0.00 0.02 0.00 0.00 34.50 31.60 2gnn s PRO 34 CO -0.00 -0.60 1.96 0.28 -0.33 0.00 0.00 177.00 178.31 2gnn h VAL 35 N 4.26 1.22 -0.42 3.83 2.07 -1.58 -2.45 116.25 123.18 2gnn h VAL 35 Ca -0.42 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 66.69 2gnn h VAL 35 Cb 1.20 -0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 2gnn h VAL 35 CO 0.91 0.21 0.28 0.77 0.02 0.00 0.00 177.57 179.76 2gnn h SER 36 N 1.14 0.49 0.73 0.57 4.64 -1.88 -1.47 113.55 117.75 2gnn h SER 36 Ca 0.31 -0.01 -0.08 0.00 -0.47 0.00 0.00 61.79 61.54 2gnn h SER 36 Cb -0.12 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 61.84 2gnn h SER 36 CO -0.06 0.35 -0.36 -0.33 -0.87 0.00 0.00 176.83 175.56 2gnn h GLU 37 N 0.58 0.00 0.00 4.77 5.08 -1.83 -2.44 114.58 120.74 2gnn h GLU 37 Ca 0.16 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.48 2gnn h GLU 37 Cb -0.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 2gnn h GLU 37 CO -0.03 0.36 -0.21 1.79 -1.00 0.00 0.00 179.01 179.92 2gnn h THR 38 N 0.00 0.32 -2.08 1.13 1.35 -1.25 -3.38 112.91 109.00 2gnn h THR 38 Ca -0.00 -1.46 -0.54 0.00 -0.55 0.00 0.00 66.41 63.86 2gnn h THR 38 Cb 0.82 2.15 -0.40 0.00 -1.73 0.00 0.00 68.15 68.99 2gnn h THR 38 CO 0.05 0.18 -0.99 1.41 -0.25 0.00 0.00 175.52 175.92 2gnn n HIS 39 N -3.14 1.24 0.27 4.73 8.25 -0.87 -4.96 115.22 120.75 2gnn n HIS 39 Ca 0.03 -3.83 0.17 0.00 -0.26 0.00 0.00 57.72 53.83 2gnn n HIS 39 Cb 0.61 -0.43 0.93 0.00 1.12 0.00 0.00 29.99 32.21 2gnn n HIS 39 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2gnn h PRO 40 N 3.40 0.00 0.00 -0.41 0.13 -1.63 -1.55 132.00 131.94 2gnn h PRO 40 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 2gnn h PRO 40 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 2gnn h PRO 40 CO 0.60 0.00 -0.28 1.05 -0.23 0.00 0.00 178.00 179.13 2gnn h GLU 41 N 0.00 0.00 -4.47 0.86 9.09 -1.93 -3.37 114.58 114.77 2gnn h GLU 41 Ca 0.00 0.00 -0.74 0.00 0.05 0.00 0.00 59.36 58.67 2gnn h GLU 41 Cb 0.10 0.00 -0.17 0.00 -1.65 0.00 0.00 28.75 27.03 2gnn h GLU 41 CO 0.00 0.00 1.50 1.28 0.05 0.00 0.00 179.01 181.84 2gnn n LEU 42 N -2.28 5.54 -4.96 3.06 4.77 -0.58 -4.99 117.00 117.55 2gnn n LEU 42 Ca 0.04 -4.51 -0.22 0.00 -0.03 0.00 0.00 56.01 51.30 2gnn n LEU 42 Cb 0.45 -1.59 0.03 0.00 -2.33 0.00 0.00 43.42 39.98 2gnn n LEU 42 CO 0.33 0.87 0.37 0.42 -1.33 0.00 0.00 177.39 178.05 2gnn s THR 43 N 1.28 3.11 -1.58 -5.08 -4.23 -1.26 -4.38 115.64 103.50 2gnn s THR 43 Ca 0.42 -0.55 -0.14 0.00 -1.18 0.00 0.00 61.69 60.24 2gnn s THR 43 Cb -0.00 -3.18 0.10 0.00 1.34 0.00 0.00 72.50 70.77 2gnn s THR 43 CO 0.00 -0.13 0.85 -1.20 -0.54 0.00 0.00 174.62 173.61 2gnn n SER 44 N -2.31 -3.71 -3.84 3.99 7.64 -1.26 -4.98 113.62 109.15 2gnn n SER 44 Ca 0.06 -0.89 -0.10 0.00 1.01 0.00 0.00 58.87 58.95 2gnn n SER 44 Cb 0.59 -3.40 -0.06 0.00 -1.01 0.00 0.00 64.21 60.33 2gnn n SER 44 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2gnn s GLN 45 N -6.70 1.14 0.22 1.43 -2.07 -1.26 -5.11 119.66 107.30 2gnn s GLN 45 Ca 0.61 -0.99 0.11 0.00 -1.82 0.00 0.00 55.36 53.27 2gnn s GLN 45 Cb -0.32 0.42 -0.04 0.00 -1.09 0.00 0.00 33.01 31.98 2gnn s GLN 45 CO 0.87 -0.43 -0.16 1.03 -1.32 0.00 0.00 175.29 175.28 2gnn s ARG 46 N -3.90 1.81 0.01 9.60 0.52 -1.26 -5.07 118.95 120.67 2gnn s ARG 46 Ca 0.11 -1.50 0.09 0.00 -0.52 0.00 0.00 55.73 53.91 2gnn s ARG 46 Cb 0.02 -1.96 -0.02 0.00 0.52 0.00 0.00 34.95 33.51 2gnn s ARG 46 CO -0.05 0.39 -0.26 -0.06 0.02 0.00 0.00 175.30 175.34 2gnn s PHE 47 N -1.97 2.31 -0.13 -0.53 0.40 -1.26 -4.51 117.98 112.29 2gnn s PHE 47 Ca 0.26 -0.42 -0.01 0.00 -0.60 0.00 0.00 56.93 56.15 2gnn s PHE 47 Cb -0.07 -1.44 0.03 0.00 0.51 0.00 0.00 43.02 42.06 2gnn s PHE 47 CO 0.14 0.05 -0.04 -0.80 0.70 0.00 0.00 175.22 175.26 2gnn s ASN 48 N -0.93 2.37 0.68 1.36 0.01 0.40 -1.61 114.94 117.22 2gnn s ASN 48 Ca 0.11 -0.44 -0.15 0.00 -0.71 0.00 0.00 52.86 51.67 2gnn s ASN 48 Cb -0.10 -0.77 0.01 0.00 0.41 0.00 0.00 41.25 40.80 2gnn s ASN 48 CO 0.01 -0.17 1.14 -2.16 -1.51 0.00 0.00 177.10 174.40 2gnn s PRO 49 N 1.74 2.61 0.00 -0.60 0.04 -1.26 -0.76 135.00 136.77 2gnn s PRO 49 Ca 0.03 1.50 0.24 0.00 0.04 0.00 0.00 61.00 62.81 2gnn s PRO 49 Cb -0.14 -1.92 1.19 0.00 0.04 0.00 0.00 34.50 33.68 2gnn s PRO 49 CO -0.07 -1.42 1.78 -0.35 0.04 0.00 0.00 177.00 176.98 2gnn n PRO 50 N -2.49 0.33 -4.11 0.56 -0.04 -0.63 -4.79 135.00 123.83 2gnn n PRO 50 Ca 0.11 0.06 -0.15 0.00 -0.04 0.00 0.00 63.50 63.49 2gnn n PRO 50 Cb 0.51 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.36 2gnn n PRO 50 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2gnn s VAL 52 N -1.22 1.19 -0.25 0.00 -7.23 0.01 -4.88 120.40 108.02 2gnn s VAL 52 Ca -0.07 -1.71 -0.17 0.00 -1.81 0.00 0.00 61.98 58.22 2gnn s VAL 52 Cb -0.09 -1.49 -0.03 0.00 0.56 0.00 0.00 36.38 35.33 2gnn s VAL 52 CO 0.01 -0.48 0.49 -0.89 -0.31 0.00 0.00 175.10 173.91 2gnn s THR 53 N -2.31 5.10 0.03 5.32 2.01 -1.26 -0.36 115.64 124.17 2gnn s THR 53 Ca 0.08 0.84 0.09 0.00 0.31 0.00 0.00 61.69 63.01 2gnn s THR 53 Cb -0.04 -3.81 -0.03 0.00 0.01 0.00 0.00 72.50 68.64 2gnn s THR 53 CO 0.02 0.12 -0.26 -0.76 -0.69 0.00 0.00 174.62 173.05 2gnn s LEU 54 N 2.09 2.14 -0.18 4.42 1.43 -0.25 -4.90 118.68 123.44 2gnn s LEU 54 Ca 0.21 -0.56 -0.29 0.00 -1.03 0.00 0.00 54.13 52.46 2gnn s LEU 54 Cb -0.16 -1.27 -0.01 0.00 0.03 0.00 0.00 46.19 44.79 2gnn s LEU 54 CO 0.09 0.26 1.22 -0.04 0.23 0.00 0.00 176.35 178.11 2gnn s MET 55 N -1.10 4.22 0.02 1.70 -1.94 -1.26 -1.23 119.30 119.71 2gnn s MET 55 Ca 0.11 1.58 0.00 0.00 -1.71 0.00 0.00 55.69 55.68 2gnn s MET 55 Cb -0.10 -3.74 -0.02 0.00 2.01 0.00 0.00 34.83 32.98 2gnn s MET 55 CO 0.01 -0.71 -0.04 1.03 -0.01 0.00 0.00 175.02 175.31 2gnn s ARG 56 N 3.47 0.34 0.16 2.03 1.81 0.02 -0.62 118.95 126.16 2gnn s ARG 56 Ca 0.53 -0.62 -0.32 0.00 -1.72 0.00 0.00 55.73 53.60 2gnn s ARG 56 Cb -0.20 0.04 -0.10 0.00 -0.45 0.00 0.00 34.95 34.24 2gnn s ARG 56 CO 0.13 -0.03 1.57 0.00 -0.68 0.00 0.00 175.30 176.29 2gnn s GLY 58 N 1.20 -0.35 0.00 0.00 0.00 -0.46 -4.88 107.32 102.83 2gnn s GLY 58 Ca 0.70 0.10 0.00 0.00 0.00 0.00 0.00 44.72 45.52 2gnn s GLY 58 CO 0.31 -0.12 0.00 0.61 0.00 0.00 0.00 173.10 173.90 2gnn n GLY 59 N -0.32 0.64 3.20 0.20 0.00 -1.26 -1.47 105.19 106.18 2gnn n GLY 59 Ca -0.14 -2.10 -0.29 0.00 0.00 0.00 0.00 46.02 43.49 2gnn n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gnn n ASN 62 N -0.38 0.00 -3.70 0.00 6.94 -1.26 -4.71 115.26 112.15 2gnn n ASN 62 Ca 0.01 -0.91 -0.11 0.00 -0.02 0.00 0.00 54.58 53.54 2gnn n ASN 62 Cb 0.53 0.00 -0.10 0.00 -2.36 0.00 0.00 39.78 37.84 2gnn n ASN 62 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 2gnn s ASP 63 N -1.65 -0.53 0.59 0.53 -1.08 -1.26 -5.04 116.67 108.24 2gnn s ASP 63 Ca 0.10 0.92 0.29 0.00 -0.52 0.00 0.00 52.55 53.34 2gnn s ASP 63 Cb 0.04 0.83 1.60 0.00 -1.46 0.00 0.00 42.92 43.94 2gnn s ASP 63 CO 0.08 -0.19 2.03 -0.08 0.52 0.00 0.00 175.17 177.53 2gnn h GLU 64 N 6.72 0.00 -0.14 4.34 4.81 -2.05 -1.31 114.58 126.95 2gnn h GLU 64 Ca -0.34 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.89 2gnn h GLU 64 Cb 1.18 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.56 2gnn h GLU 64 CO 0.27 0.00 0.00 0.43 -0.73 0.00 0.00 179.01 178.98 2gnn n SER 65 N -3.75 1.54 -4.49 1.04 7.64 -1.26 -4.88 113.62 109.46 2gnn n SER 65 Ca 0.04 -1.67 -0.30 0.00 1.01 0.00 0.00 58.87 57.94 2gnn n SER 65 Cb 0.44 -0.09 -0.12 0.00 -1.01 0.00 0.00 64.21 63.43 2gnn n SER 65 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2gnn s LEU 66 N -1.60 2.71 0.07 -3.43 1.43 -0.50 -2.71 118.68 114.66 2gnn s LEU 66 Ca 0.32 -0.44 0.06 0.00 -1.03 0.00 0.00 54.13 53.04 2gnn s LEU 66 Cb 0.17 -1.57 -0.03 0.00 0.03 0.00 0.00 46.19 44.79 2gnn s LEU 66 CO 0.27 0.23 -0.16 -1.83 0.23 0.00 0.00 176.35 175.08 2gnn s GLU 67 N -1.71 0.95 -0.41 1.70 -1.05 -0.22 -4.76 118.70 113.21 2gnn s GLU 67 Ca 0.16 -0.98 -0.21 0.00 -0.15 0.00 0.00 54.97 53.79 2gnn s GLU 67 Cb -0.11 -1.04 0.02 0.00 -0.44 0.00 0.00 34.13 32.56 2gnn s GLU 67 CO 0.08 0.24 0.67 0.00 0.95 0.00 0.00 175.26 177.19 2gnn s VAL 69 N 2.86 0.81 0.26 0.00 -7.23 -0.58 -4.76 120.40 111.75 2gnn s VAL 69 Ca 0.25 -1.53 -0.30 0.00 -1.81 0.00 0.00 61.98 58.59 2gnn s VAL 69 Cb -0.14 -1.21 -0.09 0.00 0.56 0.00 0.00 36.38 35.49 2gnn s VAL 69 CO 0.18 -0.55 1.29 -2.16 -0.31 0.00 0.00 175.10 173.55 2gnn s PRO 70 N -2.61 4.40 0.00 4.82 0.04 -1.26 -0.76 135.00 139.64 2gnn s PRO 70 Ca 0.02 2.09 0.05 0.00 0.04 0.00 0.00 61.00 63.20 2gnn s PRO 70 Cb -0.04 -3.15 0.02 0.00 0.04 0.00 0.00 34.50 31.37 2gnn s PRO 70 CO -0.01 -0.18 0.55 0.25 0.04 0.00 0.00 177.00 177.65 2gnn n THR 71 N 1.82 0.00 -3.65 1.26 -2.24 -0.14 -4.87 114.28 106.45 2gnn n THR 71 Ca 0.03 -0.47 -0.07 0.00 -2.27 0.00 0.00 64.05 61.27 2gnn n THR 71 Cb 0.43 1.08 -0.07 0.00 -2.10 0.00 0.00 70.33 69.66 2gnn n THR 71 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2gnn s GLU 72 N -0.71 0.60 0.36 -0.78 2.12 -1.14 -4.92 118.70 114.23 2gnn s GLU 72 Ca 0.05 1.16 0.06 0.00 0.36 0.00 0.00 54.97 56.60 2gnn s GLU 72 Cb 0.04 0.23 -0.07 0.00 0.26 0.00 0.00 34.13 34.60 2gnn s GLU 72 CO 0.10 -0.17 0.01 -1.21 -0.54 0.00 0.00 175.26 173.46 2gnn s GLU 73 N 1.85 1.79 -0.06 4.30 2.02 -1.26 -0.02 118.70 127.32 2gnn s GLU 73 Ca -0.09 -1.99 -0.19 0.00 0.02 0.00 0.00 54.97 52.72 2gnn s GLU 73 Cb -0.07 -1.30 0.04 0.00 0.10 0.00 0.00 34.13 32.90 2gnn s GLU 73 CO -0.18 -0.08 0.43 0.54 0.02 0.00 0.00 175.26 175.99 2gnn s VAL 74 N -2.96 0.03 -0.14 2.63 0.11 0.14 -4.78 120.40 115.45 2gnn s VAL 74 Ca 0.35 -0.25 -0.14 0.00 -2.93 0.00 0.00 61.98 59.01 2gnn s VAL 74 Cb 0.08 -0.71 -0.05 0.00 -1.53 0.00 0.00 36.38 34.18 2gnn s VAL 74 CO 0.16 -0.14 0.31 0.20 -3.33 0.00 0.00 175.10 172.31 2gnn s ASN 75 N -0.92 6.50 -0.02 3.54 0.01 -1.26 -0.60 114.94 122.17 2gnn s ASN 75 Ca -0.10 0.58 0.05 0.00 -0.71 0.00 0.00 52.86 52.68 2gnn s ASN 75 Cb -0.04 -2.19 -0.01 0.00 0.41 0.00 0.00 41.25 39.42 2gnn s ASN 75 CO 0.05 0.13 -0.17 0.68 -1.51 0.00 0.00 177.10 176.28 2gnn s VAL 76 N 0.22 1.36 -0.17 1.60 -7.23 0.12 -4.93 120.40 111.37 2gnn s VAL 76 Ca 0.18 -0.71 -0.15 0.00 -1.81 0.00 0.00 61.98 59.48 2gnn s VAL 76 Cb -0.13 -1.15 -0.04 0.00 0.56 0.00 0.00 36.38 35.62 2gnn s VAL 76 CO 0.05 0.39 0.36 -0.89 -0.31 0.00 0.00 175.10 174.70 2gnn s THR 77 N -0.23 5.25 -0.05 5.32 2.01 -1.26 -0.06 115.64 126.62 2gnn s THR 77 Ca 0.03 0.67 0.06 0.00 0.31 0.00 0.00 61.69 62.76 2gnn s THR 77 Cb -0.08 -3.70 -0.01 0.00 0.01 0.00 0.00 72.50 68.72 2gnn s THR 77 CO 0.00 0.33 -0.24 -0.04 -0.69 0.00 0.00 174.62 173.98 2gnn s MET 78 N 0.81 2.42 -0.22 4.92 -1.94 0.23 -4.93 119.30 120.59 2gnn s MET 78 Ca 0.19 -0.88 -0.25 0.00 -1.71 0.00 0.00 55.69 53.05 2gnn s MET 78 Cb -0.14 -2.08 -0.01 0.00 2.01 0.00 0.00 34.83 34.61 2gnn s MET 78 CO 0.06 0.38 0.82 -2.00 -0.01 0.00 0.00 175.02 174.28 2gnn s GLU 79 N -0.19 4.22 0.32 2.03 2.12 -1.26 -1.63 118.70 124.30 2gnn s GLU 79 Ca -0.02 0.95 0.08 0.00 0.36 0.00 0.00 54.97 56.35 2gnn s GLU 79 Cb -0.13 -3.62 -0.06 0.00 0.26 0.00 0.00 34.13 30.58 2gnn s GLU 79 CO 0.03 -0.45 -0.08 -0.51 -0.54 0.00 0.00 175.26 173.71 2gnn s LEU 80 N 2.59 2.64 -0.26 2.70 1.43 -0.61 -4.98 118.68 122.20 2gnn s LEU 80 Ca 0.36 -1.19 -0.15 0.00 -1.03 0.00 0.00 54.13 52.11 2gnn s LEU 80 Cb -0.16 -0.87 -0.04 0.00 0.03 0.00 0.00 46.19 45.16 2gnn s LEU 80 CO 0.09 -0.25 0.38 -0.22 0.23 0.00 0.00 176.35 176.58 2gnn s LEU 81 N -3.55 4.06 0.00 1.79 2.96 0.06 -1.07 118.68 122.93 2gnn s LEU 81 Ca 0.31 0.34 0.00 0.00 -0.22 0.00 0.00 54.13 54.56 2gnn s LEU 81 Cb 0.03 -2.44 0.00 0.00 0.50 0.00 0.00 46.19 44.28 2gnn s LEU 81 CO 0.15 -0.16 0.00 0.61 -1.32 0.00 0.00 176.35 175.63 2gnn n GLY 82 N 4.52 5.38 3.69 7.98 0.00 0.50 -0.46 105.19 126.80 2gnn n GLY 82 Ca -0.08 -0.79 -0.33 0.00 0.00 0.00 0.00 46.02 44.82 2gnn n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gnn s ALA 83 N -1.92 3.30 0.71 4.61 0.00 -1.23 -0.43 121.76 126.81 2gnn s ALA 83 Ca 0.00 -0.92 -0.02 0.00 0.00 0.00 0.00 51.96 51.02 2gnn s ALA 83 Cb 0.00 -1.38 0.13 0.00 0.00 0.00 0.00 23.12 21.87 2gnn s ALA 83 CO 0.00 0.64 0.86 -1.13 0.00 0.00 0.00 175.76 176.13 2gnn n SER 84 N 1.50 1.01 -0.22 0.00 3.41 -0.37 -4.65 113.62 114.31 2gnn n SER 84 Ca -0.15 -1.89 0.18 0.00 -0.26 0.00 0.00 58.87 56.76 2gnn n SER 84 Cb 0.53 -0.57 0.52 0.00 -0.26 0.00 0.00 64.21 64.43 2gnn n SER 84 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2gnn h GLY 85 N -0.60 0.79 -0.14 5.00 0.00 -1.99 0.21 103.07 106.34 2gnn h GLY 85 Ca -0.28 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 46.87 2gnn h GLY 85 CO 0.29 0.01 -0.03 -1.14 0.00 0.00 0.00 176.54 175.68 2gnn n SER 86 N -4.49 1.21 0.00 0.19 3.41 -1.26 -4.90 113.62 107.77 2gnn n SER 86 Ca 0.18 -1.34 0.00 0.00 -0.26 0.00 0.00 58.87 57.45 2gnn n SER 86 Cb 0.66 0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.62 2gnn n SER 86 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2gnn n GLY 87 N 1.17 0.70 3.71 5.00 0.00 0.73 -5.05 105.19 111.47 2gnn n GLY 87 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 2gnn n GLY 87 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2gnn s SER 88 N -2.36 2.18 0.07 1.61 0.01 -1.26 -4.70 113.70 109.25 2gnn s SER 88 Ca 0.00 0.72 -0.31 0.00 1.31 0.00 0.00 55.95 57.67 2gnn s SER 88 Cb 0.00 -1.07 -0.06 0.00 0.21 0.00 0.00 66.02 65.10 2gnn s SER 88 CO 0.00 -3.35 1.24 0.20 0.41 0.00 0.00 173.24 171.74 2gnn s ASN 89 N -4.05 7.02 -0.06 2.44 0.01 -1.26 -1.23 114.94 117.81 2gnn s ASN 89 Ca 0.69 2.09 -0.30 0.00 -0.71 0.00 0.00 52.86 54.63 2gnn s ASN 89 Cb -0.11 -2.58 0.09 0.00 0.41 0.00 0.00 41.25 39.06 2gnn s ASN 89 CO 0.55 -0.51 0.80 -0.83 -1.51 0.00 0.00 177.10 175.60 2gnn s GLY 90 N 1.06 -0.47 0.55 0.66 0.00 0.42 -4.66 107.32 104.88 2gnn s GLY 90 Ca 0.60 1.45 -0.21 0.00 0.00 0.00 0.00 44.72 46.57 2gnn s GLY 90 CO 0.29 0.86 1.23 1.06 0.00 0.00 0.00 173.10 176.54 2gnn s MET 91 N -1.56 3.22 -0.05 2.90 -1.94 -1.26 -0.37 119.30 120.24 2gnn s MET 91 Ca -0.05 1.91 -0.00 0.00 -1.71 0.00 0.00 55.69 55.83 2gnn s MET 91 Cb -0.00 -2.13 0.03 0.00 2.01 0.00 0.00 34.83 34.73 2gnn s MET 91 CO 0.03 -1.03 -0.00 -0.65 -0.01 0.00 0.00 175.02 173.37 2gnn s GLN 92 N -3.06 0.49 -0.23 2.03 -0.21 -0.23 -4.76 119.66 113.69 2gnn s GLN 92 Ca 0.72 0.08 -0.26 0.00 0.02 0.00 0.00 55.36 55.92 2gnn s GLN 92 Cb -0.32 -0.74 -0.00 0.00 1.00 0.00 0.00 33.01 32.95 2gnn s GLN 92 CO 0.37 -0.20 0.88 1.03 -2.12 0.00 0.00 175.29 175.24 2gnn s ARG 93 N 1.44 4.22 0.21 2.91 3.00 -1.26 -1.57 118.95 127.90 2gnn s ARG 93 Ca -0.03 1.05 0.09 0.00 0.00 0.00 0.00 55.73 56.84 2gnn s ARG 93 Cb -0.13 -3.63 -0.05 0.00 0.00 0.00 0.00 34.95 31.14 2gnn s ARG 93 CO -0.03 -0.51 -0.18 -0.51 0.00 0.00 0.00 175.30 174.07 2gnn s LEU 94 N 2.81 2.51 -0.08 2.53 1.43 -0.65 -4.94 118.68 122.29 2gnn s LEU 94 Ca 0.37 -0.95 -0.02 0.00 -1.03 0.00 0.00 54.13 52.50 2gnn s LEU 94 Cb -0.15 -0.88 -0.03 0.00 0.03 0.00 0.00 46.19 45.15 2gnn s LEU 94 CO 0.08 -0.04 0.03 -0.55 0.23 0.00 0.00 176.35 176.09 2gnn s SER 95 N -3.08 5.43 0.04 2.29 0.15 -1.26 -0.60 113.70 116.67 2gnn s SER 95 Ca 0.22 0.19 0.03 0.00 0.70 0.00 0.00 55.95 57.09 2gnn s SER 95 Cb -0.04 -1.57 -0.02 0.00 -1.71 0.00 0.00 66.02 62.68 2gnn s SER 95 CO 0.09 0.37 -0.10 -0.36 1.20 0.00 0.00 173.24 174.45 2gnn s PHE 96 N -0.93 0.86 -0.18 3.44 0.40 0.92 -4.94 117.98 117.54 2gnn s PHE 96 Ca 0.14 -0.38 -0.20 0.00 -0.60 0.00 0.00 56.93 55.89 2gnn s PHE 96 Cb -0.11 -0.51 -0.03 0.00 0.51 0.00 0.00 43.02 42.88 2gnn s PHE 96 CO 0.04 -0.02 0.60 0.08 0.70 0.00 0.00 175.22 176.62 2gnn s VAL 97 N -0.99 5.05 0.07 -0.44 1.01 -1.26 -0.70 120.40 123.14 2gnn s VAL 97 Ca -0.04 1.14 0.06 0.00 0.00 0.00 0.00 61.98 63.15 2gnn s VAL 97 Cb -0.08 -3.92 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 2gnn s VAL 97 CO 0.01 0.15 -0.10 -1.61 0.00 0.00 0.00 175.10 173.55 2gnn s GLU 98 N 1.69 2.25 -0.12 2.72 0.41 0.23 -4.82 118.70 121.07 2gnn s GLU 98 Ca 0.28 -0.93 -0.16 0.00 -0.41 0.00 0.00 54.97 53.76 2gnn s GLU 98 Cb -0.16 -2.35 -0.05 0.00 -1.78 0.00 0.00 34.13 29.80 2gnn s GLU 98 CO 0.11 0.54 0.39 -1.01 -0.49 0.00 0.00 175.26 174.80 2gnn s HIS 99 N -1.11 3.52 -0.03 1.61 3.76 0.21 -0.68 115.29 122.57 2gnn s HIS 99 Ca 0.19 0.78 0.15 0.00 -0.15 0.00 0.00 55.06 56.04 2gnn s HIS 99 Cb -0.11 -2.43 -0.24 0.00 1.11 0.00 0.00 32.58 30.92 2gnn s HIS 99 CO 0.11 0.26 0.32 1.63 -0.85 0.00 0.00 174.74 176.21 2gnn n LYS 100 N 3.38 0.55 -3.76 1.40 5.02 0.97 -4.60 118.16 121.13 2gnn n LYS 100 Ca -0.10 -0.13 -0.13 0.00 -2.02 0.00 0.00 58.31 55.93 2gnn n LYS 100 Cb 0.52 -1.37 -0.08 0.00 -0.02 0.00 0.00 35.03 34.08 2gnn n LYS 100 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2gnn s LYS 101 N -3.02 0.71 0.08 1.97 1.02 -1.04 -4.86 119.74 114.60 2gnn s LYS 101 Ca -0.06 -0.28 -0.05 0.00 0.02 0.00 0.00 55.97 55.60 2gnn s LYS 101 Cb 0.10 0.31 -0.02 0.00 -0.52 0.00 0.00 37.83 37.70 2gnn s LYS 101 CO 0.64 -0.21 0.11 0.00 -0.92 0.00 0.00 175.35 174.97 2gnn s ASP 103 N -2.91 -0.34 -0.57 0.00 2.15 0.06 -4.81 116.67 110.26 2gnn s ASP 103 Ca 0.08 0.15 -0.23 0.00 0.43 0.00 0.00 52.55 52.99 2gnn s ASP 103 Cb 0.06 0.42 0.05 0.00 -0.30 0.00 0.00 42.92 43.15 2gnn s ASP 103 CO -0.09 -0.61 0.88 0.00 -0.17 0.00 0.00 175.17 175.19 2gnn s ARG 105 N 3.70 1.59 0.79 0.00 1.81 -0.64 -4.86 118.95 121.34 2gnn s ARG 105 Ca 0.25 -1.24 -0.12 0.00 -1.72 0.00 0.00 55.73 52.90 2gnn s ARG 105 Cb -0.15 -1.94 0.08 0.00 -0.45 0.00 0.00 34.95 32.48 2gnn s ARG 105 CO 0.16 0.48 1.16 -2.14 -0.68 0.00 0.00 175.30 174.27 2gnn s PRO 106 N -1.72 1.84 0.00 3.54 0.02 -1.26 -1.05 135.00 136.36 2gnn s PRO 106 Ca 0.13 1.55 0.31 0.00 0.02 0.00 0.00 61.00 63.01 2gnn s PRO 106 Cb -0.10 -1.82 1.64 0.00 0.02 0.00 0.00 34.50 34.24 2gnn s PRO 106 CO 0.05 -2.02 2.08 0.54 -0.33 0.00 0.00 177.00 177.31