#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ct7 s SER 2 N 0.00 -0.20 0.24 1.61 0.15 -1.26 -5.19 113.70 109.05 2ct7 s SER 2 Ca 0.00 -0.10 -0.22 0.00 0.70 0.00 0.00 55.95 56.33 2ct7 s SER 2 Cb 0.00 0.28 0.04 0.00 -1.71 0.00 0.00 66.02 64.63 2ct7 s SER 2 CO 0.00 -0.48 0.83 -0.55 1.20 0.00 0.00 173.24 174.24 2ct7 s SER 3 N -2.56 -0.19 -0.14 5.45 0.15 -1.26 -5.19 113.70 109.96 2ct7 s SER 3 Ca 0.09 -0.58 -0.29 0.00 0.70 0.00 0.00 55.95 55.87 2ct7 s SER 3 Cb 0.00 0.64 0.10 0.00 -1.71 0.00 0.00 66.02 65.04 2ct7 s SER 3 CO -0.05 -1.19 0.83 -0.83 1.20 0.00 0.00 173.24 173.21 2ct7 s GLY 4 N -2.96 -0.42 -0.23 9.45 0.00 -1.26 -5.17 107.32 106.72 2ct7 s GLY 4 Ca 0.12 1.81 -0.27 0.00 0.00 0.00 0.00 44.72 46.39 2ct7 s GLY 4 CO 0.05 1.19 1.03 -0.45 0.00 0.00 0.00 173.10 174.93 2ct7 s SER 5 N -0.79 -0.40 -0.05 1.64 0.15 -1.26 -5.19 113.70 107.80 2ct7 s SER 5 Ca -0.05 0.66 -0.31 0.00 0.70 0.00 0.00 55.95 56.95 2ct7 s SER 5 Cb -0.01 0.62 0.11 0.00 -1.71 0.00 0.00 66.02 65.03 2ct7 s SER 5 CO 0.04 -0.22 1.02 -0.55 1.20 0.00 0.00 173.24 174.73 2ct7 s SER 6 N -0.31 -0.26 -0.01 5.45 0.15 -1.26 -5.19 113.70 112.28 2ct7 s SER 6 Ca 0.01 -0.05 -0.28 0.00 0.70 0.00 0.00 55.95 56.34 2ct7 s SER 6 Cb -0.03 0.30 0.10 0.00 -1.71 0.00 0.00 66.02 64.68 2ct7 s SER 6 CO -0.03 -0.50 0.84 -0.83 1.20 0.00 0.00 173.24 173.92 2ct7 s GLY 7 N -2.46 -0.47 0.37 9.45 0.00 -1.26 -5.19 107.32 107.77 2ct7 s GLY 7 Ca 0.08 1.12 -0.03 0.00 0.00 0.00 0.00 44.72 45.89 2ct7 s GLY 7 CO -0.06 0.47 0.52 0.00 0.00 0.00 0.00 173.10 174.03 2ct7 s ALA 8 N -2.74 0.72 0.00 3.20 0.00 -1.26 -5.06 121.76 116.62 2ct7 s ALA 8 Ca 0.02 -1.51 0.00 0.00 0.00 0.00 0.00 51.96 50.47 2ct7 s ALA 8 Cb -0.01 1.10 0.00 0.00 0.00 0.00 0.00 23.12 24.22 2ct7 s ALA 8 CO -0.06 -0.81 0.26 1.47 0.00 0.00 0.00 175.76 176.62 2ct7 n LEU 9 N -0.60 0.53 -0.00 0.00 -0.00 -1.26 -4.70 117.00 110.96 2ct7 n LEU 9 Ca 0.00 -0.68 0.01 0.00 -0.00 0.00 0.00 56.01 55.35 2ct7 n LEU 9 Cb 0.61 0.00 0.34 0.00 -0.00 0.00 0.00 43.42 44.37 2ct7 n LEU 9 CO 0.30 0.13 1.01 -0.26 -0.00 0.00 0.00 177.39 178.58 2ct7 h PHE 10 N 0.00 0.54 0.00 1.47 -1.00 -2.00 -1.57 116.94 114.37 2ct7 h PHE 10 Ca 0.00 -0.03 -0.05 0.00 2.81 0.00 0.00 57.97 60.70 2ct7 h PHE 10 Cb 0.05 -0.16 -0.01 0.00 3.61 0.00 0.00 35.95 39.44 2ct7 h PHE 10 CO 0.00 0.47 -0.22 1.12 -1.61 0.00 0.00 178.31 178.07 2ct7 h HIS 11 N 0.53 0.00 -2.61 -0.55 2.07 -2.03 -3.36 115.15 109.19 2ct7 h HIS 11 Ca 0.12 0.00 -0.60 0.00 -2.85 0.00 0.00 60.37 57.04 2ct7 h HIS 11 Cb 0.19 0.00 -0.40 0.00 2.57 0.00 0.00 27.41 29.77 2ct7 h HIS 11 CO 0.01 0.22 -0.80 0.36 -3.07 0.00 0.00 177.93 174.64 2ct7 n LYS 12 N -3.27 1.01 -2.74 5.12 2.85 -0.61 -5.11 118.16 115.42 2ct7 n LYS 12 Ca 0.01 -3.79 -0.33 0.00 -1.05 0.00 0.00 58.31 53.16 2ct7 n LYS 12 Cb 0.50 -1.92 -0.06 0.00 -0.65 0.00 0.00 35.03 32.89 2ct7 n LYS 12 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 2ct7 s LYS 13 N -0.78 4.17 1.03 -1.58 -0.14 -1.12 -4.84 119.74 116.47 2ct7 s LYS 13 Ca 0.30 1.09 -0.14 0.00 -1.36 0.00 0.00 55.97 55.86 2ct7 s LYS 13 Cb 0.02 -2.17 0.20 0.00 -1.68 0.00 0.00 37.83 34.21 2ct7 s LYS 13 CO -0.17 -0.08 1.12 -0.51 -0.76 0.00 0.00 175.35 174.95 2ct7 s LEU 14 N -3.35 1.50 0.18 3.17 1.02 -1.26 -4.96 118.68 114.97 2ct7 s LEU 14 Ca 0.61 0.95 -0.31 0.00 0.02 0.00 0.00 54.13 55.41 2ct7 s LEU 14 Cb -0.09 -3.05 -0.10 0.00 0.02 0.00 0.00 46.19 42.97 2ct7 s LEU 14 CO 0.17 -3.24 1.50 0.28 0.02 0.00 0.00 176.35 175.07 2ct7 s THR 15 N -3.09 2.77 0.18 5.49 -1.32 -1.26 -5.02 115.64 113.39 2ct7 s THR 15 Ca 0.67 0.57 0.10 0.00 -1.21 0.00 0.00 61.69 61.83 2ct7 s THR 15 Cb -0.15 -3.37 -0.04 0.00 -1.51 0.00 0.00 72.50 67.43 2ct7 s THR 15 CO 0.56 0.06 -0.22 -1.61 -2.21 0.00 0.00 174.62 171.20 2ct7 s GLU 16 N 0.71 1.42 -1.37 7.08 2.02 -1.26 -4.75 118.70 122.55 2ct7 s GLU 16 Ca 0.66 -1.47 -0.08 0.00 0.02 0.00 0.00 54.97 54.10 2ct7 s GLU 16 Cb -0.42 -1.67 0.02 0.00 0.10 0.00 0.00 34.13 32.17 2ct7 s GLU 16 CO 0.34 0.36 1.10 0.41 0.02 0.00 0.00 175.26 177.50 2ct7 n GLY 17 N 0.33 -0.50 2.66 -1.39 0.00 -1.26 -4.97 105.19 100.05 2ct7 n GLY 17 Ca -0.13 0.22 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 2ct7 n GLY 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ct7 s VAL 18 N -3.34 1.10 -0.58 1.61 0.11 -1.26 -5.06 120.40 112.99 2ct7 s VAL 18 Ca 0.50 -2.33 -0.00 0.00 -2.93 0.00 0.00 61.98 57.23 2ct7 s VAL 18 Cb -0.23 -1.78 0.15 0.00 -1.53 0.00 0.00 36.38 32.99 2ct7 s VAL 18 CO 0.75 -0.91 0.36 -0.76 -3.33 0.00 0.00 175.10 171.22 2ct7 s LEU 19 N 0.56 4.88 0.05 2.54 1.43 -1.26 -5.07 118.68 121.81 2ct7 s LEU 19 Ca 0.17 -2.89 0.08 0.00 -1.03 0.00 0.00 54.13 50.46 2ct7 s LEU 19 Cb -0.24 -1.77 -0.03 0.00 0.03 0.00 0.00 46.19 44.18 2ct7 s LEU 19 CO 0.00 -0.32 -0.21 0.00 0.23 0.00 0.00 176.35 176.05 2ct7 s MET 20 N -0.12 1.41 -0.08 1.70 0.23 -1.26 -5.14 119.30 116.04 2ct7 s MET 20 Ca 0.17 -0.97 0.04 0.00 -1.03 0.00 0.00 55.69 53.90 2ct7 s MET 20 Cb -0.22 -1.54 0.00 0.00 -1.53 0.00 0.00 34.83 31.54 2ct7 s MET 20 CO -0.02 0.39 -0.21 0.50 -2.03 0.00 0.00 175.02 173.65 2ct7 s ARG 21 N -1.23 2.48 0.11 3.16 3.00 -1.26 -5.14 118.95 120.08 2ct7 s ARG 21 Ca 0.08 -0.75 0.07 0.00 -1.00 0.00 0.00 55.73 54.13 2ct7 s ARG 21 Cb -0.09 -1.98 -0.04 0.00 0.00 0.00 0.00 34.95 32.85 2ct7 s ARG 21 CO 0.02 0.20 -0.07 -0.51 0.00 0.00 0.00 175.30 174.94 2ct7 s ASP 22 N 0.26 4.56 -0.02 -2.12 1.01 -1.26 -5.07 116.67 114.04 2ct7 s ASP 22 Ca -0.13 -0.34 -0.20 0.00 0.71 0.00 0.00 52.55 52.59 2ct7 s ASP 22 Cb -0.16 -0.93 -0.11 0.00 1.01 0.00 0.00 42.92 42.73 2ct7 s ASP 22 CO 0.06 0.17 0.83 1.55 0.21 0.00 0.00 175.17 177.99 2ct7 h PRO 23 N 3.48 -0.64 -0.17 8.23 0.13 -2.04 -3.47 132.00 137.52 2ct7 h PRO 23 Ca -0.48 0.04 0.27 0.00 -0.87 0.00 0.00 66.00 64.96 2ct7 h PRO 23 Cb 1.17 0.14 -0.21 0.00 0.13 0.00 0.00 31.00 32.24 2ct7 h PRO 23 CO 0.54 -0.40 0.22 0.21 -0.23 0.00 0.00 178.00 178.34 2ct7 s LYS 24 N -3.85 0.10 -0.49 0.86 2.36 -1.26 -5.02 119.74 112.44 2ct7 s LYS 24 Ca -0.11 0.17 -0.29 0.00 -2.55 0.00 0.00 55.97 53.20 2ct7 s LYS 24 Cb 0.01 0.09 0.03 0.00 -1.05 0.00 0.00 37.83 36.91 2ct7 s LYS 24 CO 0.33 -0.11 1.16 0.12 1.55 0.00 0.00 175.35 178.39 2ct7 s PHE 25 N 2.98 2.77 -0.20 4.03 5.36 -1.26 -4.03 117.98 127.62 2ct7 s PHE 25 Ca -0.05 0.67 -0.01 0.00 -0.96 0.00 0.00 56.93 56.58 2ct7 s PHE 25 Cb -0.09 -4.45 0.01 0.00 -0.34 0.00 0.00 43.02 38.15 2ct7 s PHE 25 CO -0.09 -1.34 -0.13 -1.17 -1.46 0.00 0.00 175.22 171.03 2ct7 s LEU 26 N 4.56 2.52 0.19 6.12 2.96 0.04 -4.96 118.68 130.12 2ct7 s LEU 26 Ca 0.48 -0.56 -0.08 0.00 -0.22 0.00 0.00 54.13 53.74 2ct7 s LEU 26 Cb -0.07 -1.60 -0.01 0.00 0.50 0.00 0.00 46.19 45.00 2ct7 s LEU 26 CO 0.31 -0.02 0.30 -1.66 -1.32 0.00 0.00 176.35 173.96 2ct7 s TRP 27 N 1.37 0.55 1.20 5.38 1.48 -1.26 -2.39 118.94 125.27 2ct7 s TRP 27 Ca 0.05 -0.89 -0.15 0.00 -1.06 0.00 0.00 56.10 54.06 2ct7 s TRP 27 Cb -0.14 -0.10 0.29 0.00 -1.16 0.00 0.00 33.47 32.37 2ct7 s TRP 27 CO -0.08 -0.77 1.02 0.00 -4.06 0.00 0.00 176.95 173.05 2ct7 n ALA 29 N -4.99 2.46 0.09 0.00 0.00 -1.26 -3.69 120.51 113.12 2ct7 n ALA 29 Ca 0.05 -0.76 0.00 0.00 0.00 0.00 0.00 53.44 52.73 2ct7 n ALA 29 Cb 0.56 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 19.10 2ct7 n ALA 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ct7 n GLN 30 N 1.15 0.00 0.20 0.00 10.64 -1.26 -4.80 117.38 123.31 2ct7 n GLN 30 Ca 0.17 0.00 0.14 0.00 -1.83 0.00 0.00 57.00 55.48 2ct7 n GLN 30 Cb 0.54 -0.26 0.59 0.00 -0.86 0.00 0.00 30.24 30.25 2ct7 n GLN 30 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2ct7 n SER 32 N -2.63 0.33 0.06 0.00 3.41 -1.24 -4.82 113.62 108.72 2ct7 n SER 32 Ca 0.01 -0.97 -0.06 0.00 -0.26 0.00 0.00 58.87 57.59 2ct7 n SER 32 Cb 0.26 -1.20 -0.04 0.00 -0.26 0.00 0.00 64.21 62.97 2ct7 n SER 32 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 2ct7 h PHE 33 N -1.13 -0.54 0.00 7.33 3.57 -1.90 -3.47 116.94 120.80 2ct7 h PHE 33 Ca -0.50 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.01 2ct7 h PHE 33 Cb 1.06 0.23 0.00 0.00 2.79 0.00 0.00 35.95 40.03 2ct7 h PHE 33 CO 0.38 -0.23 0.00 0.41 -2.23 0.00 0.00 178.31 176.64 2ct7 n GLY 34 N -1.19 0.37 3.19 2.40 0.00 -1.26 -5.05 105.19 103.66 2ct7 n GLY 34 Ca -0.04 -0.69 -0.11 0.00 0.00 0.00 0.00 46.02 45.19 2ct7 n GLY 34 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2ct7 s PHE 35 N 0.00 0.00 0.37 1.61 -0.71 -1.01 -5.00 117.98 113.25 2ct7 s PHE 35 Ca 0.00 -0.18 -0.05 0.00 -1.04 0.00 0.00 56.93 55.67 2ct7 s PHE 35 Cb 0.00 0.00 -0.05 0.00 -1.21 0.00 0.00 43.02 41.77 2ct7 s PHE 35 CO 0.00 -0.43 0.65 0.42 -1.34 0.00 0.00 175.22 174.52 2ct7 s ILE 36 N -2.39 4.98 0.00 -4.49 -1.09 -1.26 -0.78 121.20 116.17 2ct7 s ILE 36 Ca -0.06 0.06 0.00 0.00 -2.23 0.00 0.00 60.65 58.42 2ct7 s ILE 36 Cb -0.02 -3.80 0.00 0.00 -1.58 0.00 0.00 42.46 37.06 2ct7 s ILE 36 CO -0.03 -0.55 0.00 0.00 -1.23 0.00 0.00 174.94 173.14 2ct7 n TYR 37 N -1.54 0.00 -3.27 3.97 4.11 -1.26 -4.91 117.16 114.27 2ct7 n TYR 37 Ca -0.01 0.00 -0.15 0.00 -0.00 0.00 0.00 57.90 57.74 2ct7 n TYR 37 Cb 0.55 0.00 -0.04 0.00 -0.00 0.00 0.00 39.34 39.84 2ct7 n TYR 37 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.86 177.25 2ct7 n GLU 38 N -1.26 -0.96 -4.33 -3.48 1.02 -1.26 -4.86 120.64 105.51 2ct7 n GLU 38 Ca 0.00 0.04 -0.29 0.00 -0.02 0.00 0.00 57.16 56.89 2ct7 n GLU 38 Cb 0.17 -1.71 -0.05 0.00 -0.02 0.00 0.00 31.44 29.84 2ct7 n GLU 38 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2ct7 s ARG 39 N -4.85 2.21 -0.23 3.49 0.52 -1.26 -5.07 118.95 113.76 2ct7 s ARG 39 Ca 0.05 -2.16 0.03 0.00 -0.52 0.00 0.00 55.73 53.13 2ct7 s ARG 39 Cb -0.03 -1.82 -0.16 0.00 0.52 0.00 0.00 34.95 33.47 2ct7 s ARG 39 CO 0.46 -0.41 -0.19 0.39 0.02 0.00 0.00 175.30 175.57 2ct7 n GLU 40 N -1.44 0.61 -1.97 3.54 1.02 -1.26 -4.97 120.64 116.17 2ct7 n GLU 40 Ca -0.09 0.13 -0.40 0.00 -0.02 0.00 0.00 57.16 56.77 2ct7 n GLU 40 Cb 0.66 -1.47 -0.01 0.00 -0.02 0.00 0.00 31.44 30.60 2ct7 n GLU 40 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 2ct7 s GLN 41 N -2.46 4.13 -0.05 3.49 -2.07 -1.26 -4.88 119.66 116.55 2ct7 s GLN 41 Ca -0.30 2.34 0.02 0.00 -1.82 0.00 0.00 55.36 55.60 2ct7 s GLN 41 Cb 0.08 -2.93 0.14 0.00 -1.09 0.00 0.00 33.01 29.21 2ct7 s GLN 41 CO 0.55 -0.43 0.83 1.28 -1.32 0.00 0.00 175.29 176.20 2ct7 n LEU 42 N 0.44 2.29 -4.10 2.60 4.77 -1.26 -4.70 117.00 117.05 2ct7 n LEU 42 Ca 0.02 -1.16 -0.33 0.00 -0.03 0.00 0.00 56.01 54.51 2ct7 n LEU 42 Cb 0.41 -0.54 -0.15 0.00 -2.33 0.00 0.00 43.42 40.82 2ct7 n LEU 42 CO 0.60 0.39 -0.43 -1.61 -1.33 0.00 0.00 177.39 175.01 2ct7 s GLU 43 N -1.14 2.27 -0.05 3.23 2.02 -1.26 -4.08 118.70 119.69 2ct7 s GLU 43 Ca 0.10 -1.34 0.05 0.00 0.02 0.00 0.00 54.97 53.79 2ct7 s GLU 43 Cb 0.08 -2.98 -0.02 0.00 0.10 0.00 0.00 34.13 31.31 2ct7 s GLU 43 CO 0.03 -0.59 -0.19 0.00 0.02 0.00 0.00 175.26 174.52 2ct7 s ALA 44 N 1.14 2.42 -0.18 5.21 0.00 -1.20 -5.00 121.76 124.15 2ct7 s ALA 44 Ca -0.07 -1.02 -0.03 0.00 0.00 0.00 0.00 51.96 50.84 2ct7 s ALA 44 Cb -0.20 -0.83 -0.02 0.00 0.00 0.00 0.00 23.12 22.08 2ct7 s ALA 44 CO -0.04 0.48 -0.07 0.99 0.00 0.00 0.00 175.76 177.12 2ct7 s THR 45 N -0.44 3.42 0.25 0.00 2.01 -1.26 -2.28 115.64 117.34 2ct7 s THR 45 Ca 0.05 -0.50 -0.30 0.00 0.31 0.00 0.00 61.69 61.25 2ct7 s THR 45 Cb -0.12 -2.51 -0.09 0.00 0.01 0.00 0.00 72.50 69.79 2ct7 s THR 45 CO 0.02 0.47 1.33 0.00 -0.69 0.00 0.00 174.62 175.74 2ct7 n PRO 47 N 2.06 0.11 -0.01 0.00 -0.04 -1.26 0.10 135.00 135.96 2ct7 n PRO 47 Ca 0.04 0.35 -0.02 0.00 -0.04 0.00 0.00 63.50 63.84 2ct7 n PRO 47 Cb 0.42 -1.71 -0.01 0.00 -0.04 0.00 0.00 33.50 32.16 2ct7 n PRO 47 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ct7 n GLN 48 N -1.91 0.90 0.04 0.54 10.64 -1.26 -4.72 117.38 121.60 2ct7 n GLN 48 Ca 0.03 0.01 0.04 0.00 -1.83 0.00 0.00 57.00 55.24 2ct7 n GLN 48 Cb 0.20 -1.06 -0.07 0.00 -0.86 0.00 0.00 30.24 28.45 2ct7 n GLN 48 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2ct7 n HIS 50 N -2.76 -1.32 -4.00 0.00 8.25 0.29 -4.86 115.22 110.82 2ct7 n HIS 50 Ca -0.08 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.03 2ct7 n HIS 50 Cb 0.75 -2.76 -0.06 0.00 1.12 0.00 0.00 29.99 29.04 2ct7 n HIS 50 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 2ct7 s GLN 51 N -4.85 3.29 -0.53 -0.41 0.74 -1.26 -4.72 119.66 111.92 2ct7 s GLN 51 Ca 0.00 -0.31 -0.23 0.00 0.05 0.00 0.00 55.36 54.87 2ct7 s GLN 51 Cb 0.00 -3.03 0.04 0.00 1.10 0.00 0.00 33.01 31.13 2ct7 s GLN 51 CO 0.00 0.71 0.84 0.99 -0.55 0.00 0.00 175.29 177.28 2ct7 s THR 52 N -1.14 4.54 0.04 -0.34 2.01 -1.26 -2.95 115.64 116.54 2ct7 s THR 52 Ca 0.20 0.09 0.05 0.00 0.31 0.00 0.00 61.69 62.34 2ct7 s THR 52 Cb -0.12 -4.45 -0.02 0.00 0.01 0.00 0.00 72.50 67.91 2ct7 s THR 52 CO 0.11 -0.99 -0.13 0.72 -0.69 0.00 0.00 174.62 173.63 2ct7 s PHE 53 N 3.53 1.14 0.58 4.92 -0.71 -0.96 -1.83 117.98 124.66 2ct7 s PHE 53 Ca 0.26 -0.38 -0.20 0.00 -1.04 0.00 0.00 56.93 55.58 2ct7 s PHE 53 Cb -0.14 -0.67 -0.05 0.00 -1.21 0.00 0.00 43.02 40.95 2ct7 s PHE 53 CO 0.18 0.03 1.09 0.00 -1.34 0.00 0.00 175.22 175.17 2ct7 n VAL 55 N -1.51 0.00 0.00 0.00 0.24 -1.26 -2.78 118.33 113.02 2ct7 n VAL 55 Ca 0.13 -0.10 0.00 0.00 -2.04 0.00 0.00 64.34 62.33 2ct7 n VAL 55 Cb 0.46 0.46 0.00 0.00 -1.47 0.00 0.00 33.84 33.29 2ct7 n VAL 55 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2ct7 n ARG 56 N -0.85 0.00 0.12 7.34 1.74 -1.26 -4.62 116.66 119.12 2ct7 n ARG 56 Ca 0.10 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.30 2ct7 n ARG 56 Cb 0.35 -0.45 0.46 0.00 -1.02 0.00 0.00 32.46 31.80 2ct7 n ARG 56 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2ct7 n LYS 58 N -2.25 -7.06 -4.55 0.00 4.76 -1.12 -5.00 118.16 102.95 2ct7 n LYS 58 Ca 0.04 0.78 -0.25 0.00 -2.87 0.00 0.00 58.31 56.00 2ct7 n LYS 58 Cb 0.32 -5.76 -0.11 0.00 -1.84 0.00 0.00 35.03 27.64 2ct7 n LYS 58 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 2ct7 s ARG 59 N -6.15 1.83 -0.23 1.97 1.70 -1.26 -4.54 118.95 112.27 2ct7 s ARG 59 Ca 0.44 -2.03 -0.33 0.00 -0.47 0.00 0.00 55.73 53.34 2ct7 s ARG 59 Cb -0.20 -1.32 -0.10 0.00 -0.57 0.00 0.00 34.95 32.77 2ct7 s ARG 59 CO 0.75 -0.11 2.10 0.94 -1.08 0.00 0.00 175.30 177.91 2ct7 n GLN 60 N -0.85 1.69 -1.38 3.89 7.27 -1.26 -0.74 117.38 126.00 2ct7 n GLN 60 Ca -0.04 0.53 -0.36 0.00 0.07 0.00 0.00 57.00 57.20 2ct7 n GLN 60 Cb 0.67 -2.75 0.07 0.00 2.41 0.00 0.00 30.24 30.64 2ct7 n GLN 60 CO 0.00 0.00 0.00 1.87 0.07 0.00 0.00 177.06 179.00 2ct7 n TRP 61 N 9.36 0.21 -3.79 3.69 -0.00 -0.76 -4.80 117.44 121.35 2ct7 n TRP 61 Ca 0.32 0.39 -0.13 0.00 -0.00 0.00 0.00 57.50 58.08 2ct7 n TRP 61 Cb 0.31 -2.04 -0.13 0.00 -0.00 0.00 0.00 31.31 29.46 2ct7 n TRP 61 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 177.69 175.69 2ct7 s GLU 62 N -3.02 0.19 0.40 5.87 2.12 -1.26 -4.97 118.70 118.03 2ct7 s GLU 62 Ca 0.71 0.31 0.18 0.00 0.36 0.00 0.00 54.97 56.53 2ct7 s GLU 62 Cb -0.36 0.03 1.09 0.00 0.26 0.00 0.00 34.13 35.14 2ct7 s GLU 62 CO 0.52 -0.07 1.79 0.93 -0.54 0.00 0.00 175.26 177.89 2ct7 h GLU 63 N 6.26 0.40 -0.10 4.30 5.08 -1.97 0.51 114.58 129.07 2ct7 h GLU 63 Ca -0.30 -0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 57.93 2ct7 h GLU 63 Cb 1.18 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 2ct7 h GLU 63 CO 0.40 0.26 -0.40 1.96 -1.00 0.00 0.00 179.01 180.23 2ct7 h GLN 64 N 0.41 0.21 -0.30 2.33 1.08 -2.02 -2.84 115.11 113.99 2ct7 h GLN 64 Ca 0.57 -0.09 -0.06 0.00 -1.45 0.00 0.00 58.65 57.61 2ct7 h GLN 64 Cb 1.41 -0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.82 2ct7 h GLN 64 CO -0.27 0.58 -0.08 1.25 -0.95 0.00 0.00 178.83 179.36 2ct7 h HIS 65 N 0.17 0.51 -1.90 2.96 2.76 -0.36 -3.42 115.15 115.87 2ct7 h HIS 65 Ca 0.02 -0.06 -0.65 0.00 -2.20 0.00 0.00 60.37 57.47 2ct7 h HIS 65 Cb 0.79 -0.14 0.09 0.00 1.55 0.00 0.00 27.41 29.69 2ct7 h HIS 65 CO 0.01 0.55 0.13 0.54 -1.30 0.00 0.00 177.93 177.86 2ct7 n ARG 66 N -4.24 1.01 0.00 5.26 1.74 -1.05 -0.65 116.66 118.73 2ct7 n ARG 66 Ca 0.01 0.36 0.00 0.00 -0.77 0.00 0.00 57.85 57.45 2ct7 n ARG 66 Cb 0.29 -1.76 0.00 0.00 -1.02 0.00 0.00 32.46 29.96 2ct7 n ARG 66 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2ct7 n GLY 67 N 1.80 1.67 2.22 -0.13 0.00 -1.26 -4.95 105.19 104.54 2ct7 n GLY 67 Ca 0.14 -0.10 -0.14 0.00 0.00 0.00 0.00 46.02 45.92 2ct7 n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ct7 n ARG 68 N 0.00 -0.01 -4.64 1.61 1.74 0.18 -5.13 116.66 110.41 2ct7 n ARG 68 Ca 0.00 -1.47 -0.30 0.00 -0.77 0.00 0.00 57.85 55.31 2ct7 n ARG 68 Cb 0.00 -0.47 -0.09 0.00 -1.02 0.00 0.00 32.46 30.88 2ct7 n ARG 68 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2ct7 s SER 69 N -3.43 4.01 0.57 0.55 1.04 -1.26 -4.93 113.70 110.24 2ct7 s SER 69 Ca 0.39 -1.46 0.26 0.00 0.48 0.00 0.00 55.95 55.62 2ct7 s SER 69 Cb -0.02 -0.05 1.59 0.00 0.10 0.00 0.00 66.02 67.65 2ct7 s SER 69 CO 0.26 -0.61 2.15 0.00 0.98 0.00 0.00 173.24 176.02 2ct7 h GLU 71 N 0.00 -0.18 -0.90 0.00 4.81 -2.00 -3.00 114.58 113.30 2ct7 h GLU 71 Ca 0.06 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.32 2ct7 h GLU 71 Cb 0.29 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.66 2ct7 h GLU 71 CO -0.00 -0.12 0.59 -0.44 -0.73 0.00 0.00 179.01 178.31 2ct7 h ASP 72 N -0.91 1.02 -0.30 1.04 3.32 -1.92 -2.68 116.42 116.00 2ct7 h ASP 72 Ca -0.02 -0.02 0.05 0.00 0.02 0.00 0.00 57.03 57.06 2ct7 h ASP 72 Cb 0.14 -0.25 -0.05 0.00 0.22 0.00 0.00 39.33 39.39 2ct7 h ASP 72 CO 0.03 0.73 -0.02 0.15 -1.72 0.00 0.00 179.24 178.41 2ct7 h PHE 73 N 1.20 -0.05 -0.41 4.55 3.57 -0.39 -2.38 116.94 123.02 2ct7 h PHE 73 Ca 0.34 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.95 2ct7 h PHE 73 Cb -0.11 0.07 -0.09 0.00 2.79 0.00 0.00 35.95 38.61 2ct7 h PHE 73 CO -0.01 -0.07 -0.21 0.37 -2.23 0.00 0.00 178.31 176.15 2ct7 h GLN 74 N 0.06 -0.13 -0.79 1.11 4.15 -1.33 0.13 115.11 118.32 2ct7 h GLN 74 Ca 0.15 0.01 0.14 0.00 0.77 0.00 0.00 58.65 59.71 2ct7 h GLN 74 Cb 0.20 0.03 -0.06 0.00 0.21 0.00 0.00 27.48 27.87 2ct7 h GLN 74 CO -0.26 -0.09 0.52 -0.91 -1.93 0.00 0.00 178.83 176.16 2ct7 h ASN 75 N -0.14 0.50 0.68 -0.69 2.35 -1.37 0.23 115.58 117.15 2ct7 h ASN 75 Ca 0.20 0.03 -0.06 0.00 -0.55 0.00 0.00 56.30 55.92 2ct7 h ASN 75 Cb 0.45 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.73 2ct7 h ASN 75 CO -0.50 0.27 -0.28 -0.25 -1.65 0.00 0.00 177.43 175.02 2ct7 h TRP 76 N 0.54 0.00 0.07 1.19 7.01 -0.33 -2.74 115.95 121.68 2ct7 h TRP 76 Ca 0.38 0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.38 2ct7 h TRP 76 Cb 0.73 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.79 2ct7 h TRP 76 CO -0.00 0.28 -0.03 0.87 -2.79 0.00 0.00 178.44 176.76 2ct7 h LYS 77 N 0.00 -0.09 -0.13 2.65 1.79 0.31 0.11 116.57 121.21 2ct7 h LYS 77 Ca -0.00 0.01 0.04 0.00 -2.18 0.00 0.00 60.65 58.51 2ct7 h LYS 77 Cb 0.69 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.36 2ct7 h LYS 77 CO 0.04 0.49 0.11 0.07 -1.08 0.00 0.00 179.45 179.07 2ct7 h ARG 78 N -0.79 0.00 0.08 3.15 0.11 -1.42 0.78 114.38 116.29 2ct7 h ARG 78 Ca -0.01 0.00 -0.23 0.00 0.10 0.00 0.00 59.98 59.84 2ct7 h ARG 78 Cb 0.62 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.69 2ct7 h ARG 78 CO 0.01 0.00 -1.16 0.52 0.10 0.00 0.00 179.97 179.45 2ct7 h MET 79 N 0.00 0.18 0.02 0.08 2.86 -1.50 -3.16 114.93 113.41 2ct7 h MET 79 Ca 0.06 -0.30 -0.00 0.00 -2.06 0.00 0.00 59.70 57.40 2ct7 h MET 79 Cb 0.27 0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.05 2ct7 h MET 79 CO -0.00 1.14 -0.01 -0.91 1.06 0.00 0.00 176.91 178.19 2ct7 h ASN 80 N -0.51 -0.03 0.65 1.22 2.35 -0.32 -3.40 115.58 115.54 2ct7 h ASN 80 Ca -0.26 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.47 2ct7 h ASN 80 Cb 1.58 0.01 -0.01 0.00 0.05 0.00 0.00 38.32 39.94 2ct7 h ASN 80 CO 0.01 0.10 -0.49 -1.28 -1.65 0.00 0.00 177.43 174.12 2ct7 h SER 81 N -0.26 -1.30 0.00 5.81 0.87 0.39 -3.50 113.55 115.57 2ct7 h SER 81 Ca -0.00 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 2ct7 h SER 81 Cb 0.02 0.40 0.00 0.00 -0.44 0.00 0.00 62.40 62.39 2ct7 h SER 81 CO 0.00 -0.70 0.00 0.61 -0.53 0.00 0.00 176.83 176.21 2ct7 n GLY 82 N -1.59 0.60 0.18 5.77 0.00 -0.78 -4.86 105.19 104.51 2ct7 n GLY 82 Ca -0.13 -1.71 -0.13 0.00 0.00 0.00 0.00 46.02 44.04 2ct7 n GLY 82 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ct7 h PRO 83 N 0.00 0.57 -1.36 1.61 0.13 -1.90 -3.37 132.00 127.67 2ct7 h PRO 83 Ca 0.00 -0.30 0.14 0.00 -0.87 0.00 0.00 66.00 64.97 2ct7 h PRO 83 Cb 0.00 0.01 -0.25 0.00 0.13 0.00 0.00 31.00 30.89 2ct7 h PRO 83 CO 0.00 0.89 0.70 -1.54 -0.23 0.00 0.00 178.00 177.82 2ct7 s SER 84 N -6.38 -0.24 -0.03 1.44 1.04 -1.26 -5.04 113.70 103.23 2ct7 s SER 84 Ca -0.13 0.30 -0.29 0.00 0.48 0.00 0.00 55.95 56.31 2ct7 s SER 84 Cb 0.07 0.25 0.10 0.00 0.10 0.00 0.00 66.02 66.53 2ct7 s SER 84 CO 0.80 -0.20 0.82 -0.44 0.98 0.00 0.00 173.24 175.20 2ct7 s SER 85 N -0.89 -0.47 0.00 7.02 0.01 -1.26 -5.16 113.70 112.95 2ct7 s SER 85 Ca 0.03 0.26 0.00 0.00 1.31 0.00 0.00 55.95 57.55 2ct7 s SER 85 Cb -0.01 0.44 0.00 0.00 0.21 0.00 0.00 66.02 66.65 2ct7 s SER 85 CO -0.03 -0.61 0.00 0.61 0.41 0.00 0.00 173.24 173.62