#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 -0.26 0.29 1.61 1.04 -1.26 -5.19 113.70 109.93 2ct7 s SER 2 Ca 0.00 -0.61 0.02 0.00 0.48 0.00 0.00 55.95 55.84 2ct7 s SER 2 Cb 0.00 0.71 -0.04 0.00 0.10 0.00 0.00 66.02 66.79 2ct7 s SER 2 CO 0.00 -1.32 0.13 -0.94 0.98 0.00 0.00 173.24 172.09 2ct7 s SER 3 N -2.92 1.46 0.14 7.02 1.04 -1.26 -5.17 113.70 114.01 2ct7 s SER 3 Ca 0.12 -1.48 0.09 0.00 0.48 0.00 0.00 55.95 55.15 2ct7 s SER 3 Cb -0.05 0.29 -0.04 0.00 0.10 0.00 0.00 66.02 66.31 2ct7 s SER 3 CO 0.06 -0.82 -0.13 -0.83 0.98 0.00 0.00 173.24 172.51 2ct7 s GLY 4 N -3.36 1.73 0.30 7.32 0.00 -1.26 -5.13 107.32 106.92 2ct7 s GLY 4 Ca 0.36 -1.38 -0.16 0.00 0.00 0.00 0.00 44.72 43.54 2ct7 s GLY 4 CO 0.16 -1.37 0.65 -0.56 0.00 0.00 0.00 173.10 171.97 2ct7 s SER 5 N -2.43 -0.06 0.26 1.64 0.01 -1.26 -5.19 113.70 106.67 2ct7 s SER 5 Ca 0.21 -0.88 0.07 0.00 1.31 0.00 0.00 55.95 56.67 2ct7 s SER 5 Cb -0.10 0.71 -0.05 0.00 0.21 0.00 0.00 66.02 66.79 2ct7 s SER 5 CO 0.13 -1.37 -0.10 -0.44 0.41 0.00 0.00 173.24 171.87 2ct7 s SER 6 N -3.00 2.80 0.00 2.44 0.01 -1.26 -5.11 113.70 109.58 2ct7 s SER 6 Ca 0.17 -1.12 0.00 0.00 1.31 0.00 0.00 55.95 56.30 2ct7 s SER 6 Cb -0.04 -0.17 0.00 0.00 0.21 0.00 0.00 66.02 66.02 2ct7 s SER 6 CO 0.10 -0.25 0.00 0.61 0.41 0.00 0.00 173.24 174.11 2ct7 n GLY 7 N -0.52 0.76 3.09 3.44 0.00 -1.26 -5.19 105.19 105.50 2ct7 n GLY 7 Ca -0.06 0.32 -0.08 0.00 0.00 0.00 0.00 46.02 46.20 2ct7 n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ct7 s ALA 8 N 0.00 0.21 0.89 4.61 0.00 -1.26 -5.15 121.76 121.07 2ct7 s ALA 8 Ca 0.00 -0.86 -0.14 0.00 0.00 0.00 0.00 51.96 50.96 2ct7 s ALA 8 Cb 0.00 0.26 0.01 0.00 0.00 0.00 0.00 23.12 23.39 2ct7 s ALA 8 CO 0.00 -0.33 0.41 -0.11 0.00 0.00 0.00 175.76 175.73 2ct7 n LEU 9 N 0.55 -0.08 -3.79 0.00 7.94 -1.26 -4.81 117.00 115.56 2ct7 n LEU 9 Ca -0.17 0.40 -0.37 0.00 -1.11 0.00 0.00 56.01 54.76 2ct7 n LEU 9 Cb 0.59 -1.20 -0.00 0.00 0.53 0.00 0.00 43.42 43.34 2ct7 n LEU 9 CO 0.25 -3.55 -0.40 0.49 -1.11 0.00 0.00 177.39 173.06 2ct7 n PHE 10 N -3.22 -1.92 -0.33 1.96 3.01 -1.26 -4.74 117.46 110.96 2ct7 n PHE 10 Ca 0.07 0.54 -0.01 0.00 1.01 0.00 0.00 57.45 59.06 2ct7 n PHE 10 Cb 0.53 -1.56 0.03 0.00 -0.01 0.00 0.00 39.48 38.47 2ct7 n PHE 10 CO 0.00 0.00 0.00 -2.39 1.01 0.00 0.00 176.76 175.38 2ct7 n HIS 11 N -0.94 0.02 -3.64 1.38 1.44 -1.26 -3.53 115.22 108.69 2ct7 n HIS 11 Ca 0.10 1.05 -0.29 0.00 -2.01 0.00 0.00 57.72 56.56 2ct7 n HIS 11 Cb 0.36 -0.81 -0.14 0.00 0.12 0.00 0.00 29.99 29.52 2ct7 n HIS 11 CO 0.00 0.00 0.00 0.21 -2.81 0.00 0.00 176.34 173.74 2ct7 s LYS 12 N -5.80 0.76 -0.35 -1.40 2.47 -1.26 -5.06 119.74 109.10 2ct7 s LYS 12 Ca -0.12 -1.31 -0.00 0.00 -1.56 0.00 0.00 55.97 52.97 2ct7 s LYS 12 Cb 0.17 -1.82 0.12 0.00 -1.46 0.00 0.00 37.83 34.84 2ct7 s LYS 12 CO 0.61 -1.09 0.17 0.21 0.16 0.00 0.00 175.35 175.41 2ct7 s LYS 13 N 1.21 0.72 0.03 4.03 2.47 -1.23 -5.11 119.74 121.85 2ct7 s LYS 13 Ca 0.14 -1.28 -0.10 0.00 -1.56 0.00 0.00 55.97 53.16 2ct7 s LYS 13 Cb -0.20 -1.74 0.01 0.00 -1.46 0.00 0.00 37.83 34.43 2ct7 s LYS 13 CO -0.14 -1.10 0.21 -0.51 0.16 0.00 0.00 175.35 173.97 2ct7 s LEU 14 N 1.23 1.28 0.17 5.43 1.43 -1.26 -4.95 118.68 122.01 2ct7 s LEU 14 Ca 0.14 -0.26 -0.30 0.00 -1.03 0.00 0.00 54.13 52.68 2ct7 s LEU 14 Cb -0.20 0.99 -0.07 0.00 0.03 0.00 0.00 46.19 46.93 2ct7 s LEU 14 CO -0.13 -0.52 0.99 0.28 0.23 0.00 0.00 176.35 177.20 2ct7 s THR 15 N -2.21 4.20 0.10 5.49 -1.32 -1.26 -5.06 115.64 115.58 2ct7 s THR 15 Ca -0.08 1.95 0.09 0.00 -1.21 0.00 0.00 61.69 62.45 2ct7 s THR 15 Cb -0.03 -4.25 -0.04 0.00 -1.51 0.00 0.00 72.50 66.68 2ct7 s THR 15 CO -0.02 0.36 -0.22 -1.61 -2.21 0.00 0.00 174.62 170.93 2ct7 s GLU 16 N -0.47 1.73 -1.06 7.08 2.02 -1.26 -4.66 118.70 122.08 2ct7 s GLU 16 Ca 0.46 -1.18 -0.01 0.00 0.02 0.00 0.00 54.97 54.26 2ct7 s GLU 16 Cb -0.26 -2.05 0.00 0.00 0.10 0.00 0.00 34.13 31.92 2ct7 s GLU 16 CO 0.32 0.49 0.12 0.41 0.02 0.00 0.00 175.26 176.61 2ct7 n GLY 17 N 1.11 -0.13 2.95 -1.39 0.00 -1.26 -5.02 105.19 101.45 2ct7 n GLY 17 Ca -0.17 -0.31 -0.17 0.00 0.00 0.00 0.00 46.02 45.38 2ct7 n GLY 17 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ct7 s VAL 18 N -2.73 0.43 -0.37 1.61 1.01 -1.26 -5.05 120.40 114.03 2ct7 s VAL 18 Ca 0.06 -0.20 0.10 0.00 0.00 0.00 0.00 61.98 61.94 2ct7 s VAL 18 Cb -0.03 -0.38 0.44 0.00 0.00 0.00 0.00 36.38 36.41 2ct7 s VAL 18 CO 0.07 0.14 1.08 0.00 0.00 0.00 0.00 175.10 176.39 2ct7 n LEU 19 N 3.15 3.70 -4.16 3.92 -0.00 -1.26 -5.01 117.00 117.34 2ct7 n LEU 19 Ca -0.15 -4.61 -0.36 0.00 -0.00 0.00 0.00 56.01 50.89 2ct7 n LEU 19 Cb 0.57 -0.15 -0.13 0.00 -0.00 0.00 0.00 43.42 43.71 2ct7 n LEU 19 CO 0.25 1.96 -0.27 -0.32 -0.00 0.00 0.00 177.39 179.01 2ct7 s MET 20 N -3.46 2.27 -0.06 1.47 1.75 -1.26 -4.95 119.30 115.05 2ct7 s MET 20 Ca 0.42 -1.48 -0.11 0.00 -1.25 0.00 0.00 55.69 53.27 2ct7 s MET 20 Cb 0.41 -3.37 -0.30 0.00 2.84 0.00 0.00 34.83 34.41 2ct7 s MET 20 CO -0.09 -0.80 0.61 0.07 -0.65 0.00 0.00 175.02 174.16 2ct7 h ARG 21 N 8.04 0.36 -1.52 4.11 0.11 -2.08 -3.48 114.38 119.92 2ct7 h ARG 21 Ca -0.18 -0.62 0.09 0.00 0.10 0.00 0.00 59.98 59.37 2ct7 h ARG 21 Cb 1.06 0.23 -0.27 0.00 1.11 0.00 0.00 29.97 32.10 2ct7 h ARG 21 CO 0.60 1.30 0.46 0.16 0.10 0.00 0.00 179.97 182.60 2ct7 s ASP 22 N -7.24 -0.44 0.00 0.08 1.47 -1.26 -5.13 116.67 104.16 2ct7 s ASP 22 Ca -0.17 0.78 0.00 0.00 1.18 0.00 0.00 52.55 54.33 2ct7 s ASP 22 Cb 0.05 0.95 0.00 0.00 -0.34 0.00 0.00 42.92 43.58 2ct7 s ASP 22 CO 0.83 -0.13 0.00 -0.81 0.68 0.00 0.00 175.17 175.74 2ct7 n PRO 23 N 2.77 0.00 -3.59 2.11 -0.04 -1.26 -4.97 135.00 130.02 2ct7 n PRO 23 Ca -0.15 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.18 2ct7 n PRO 23 Cb 0.57 -0.24 -0.12 0.00 -0.04 0.00 0.00 33.50 33.67 2ct7 n PRO 23 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2ct7 s LYS 24 N 0.00 0.20 -0.27 0.54 -0.14 -1.26 -5.10 119.74 113.70 2ct7 s LYS 24 Ca 0.00 0.65 -0.13 0.00 -1.36 0.00 0.00 55.97 55.13 2ct7 s LYS 24 Cb 0.00 -0.28 -0.04 0.00 -1.68 0.00 0.00 37.83 35.83 2ct7 s LYS 24 CO 0.00 -0.40 0.29 -0.59 -0.76 0.00 0.00 175.35 173.89 2ct7 s PHE 25 N 2.44 3.24 -0.27 3.18 -0.71 -1.26 -2.59 117.98 122.00 2ct7 s PHE 25 Ca 0.03 0.28 -0.09 0.00 -1.04 0.00 0.00 56.93 56.12 2ct7 s PHE 25 Cb -0.13 -2.48 -0.03 0.00 -1.21 0.00 0.00 43.02 39.17 2ct7 s PHE 25 CO -0.11 -0.19 0.11 -1.17 -1.34 0.00 0.00 175.22 172.53 2ct7 s LEU 26 N 1.91 3.70 0.19 -1.99 1.98 0.14 -4.80 118.68 119.82 2ct7 s LEU 26 Ca 0.11 -0.22 -0.06 0.00 -2.89 0.00 0.00 54.13 51.08 2ct7 s LEU 26 Cb -0.16 -1.98 -0.02 0.00 0.66 0.00 0.00 46.19 44.68 2ct7 s LEU 26 CO 0.10 -0.07 0.24 -1.66 -1.89 0.00 0.00 176.35 173.08 2ct7 s TRP 27 N 1.65 0.74 0.97 5.38 1.48 -1.26 -3.70 118.94 124.19 2ct7 s TRP 27 Ca 0.06 -1.05 -0.12 0.00 -1.06 0.00 0.00 56.10 53.94 2ct7 s TRP 27 Cb -0.16 -0.24 0.17 0.00 -1.16 0.00 0.00 33.47 32.08 2ct7 s TRP 27 CO 0.06 -0.73 1.09 0.00 -4.06 0.00 0.00 176.95 173.31 2ct7 n ALA 29 N -4.16 2.81 0.02 0.00 0.00 -1.26 -3.12 120.51 114.79 2ct7 n ALA 29 Ca 0.06 -0.38 -0.00 0.00 0.00 0.00 0.00 53.44 53.12 2ct7 n ALA 29 Cb 0.55 -1.21 -0.00 0.00 0.00 0.00 0.00 19.45 18.79 2ct7 n ALA 29 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2ct7 n GLN 30 N -0.43 0.01 0.24 0.00 6.02 -1.26 -4.77 117.38 117.18 2ct7 n GLN 30 Ca 0.16 0.00 0.08 0.00 -0.01 0.00 0.00 57.00 57.23 2ct7 n GLN 30 Cb 0.32 -0.21 0.59 0.00 1.02 0.00 0.00 30.24 31.96 2ct7 n GLN 30 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2ct7 n SER 32 N -4.15 -2.20 0.00 0.00 7.64 -1.18 -4.89 113.62 108.84 2ct7 n SER 32 Ca -0.02 -1.15 0.00 0.00 1.01 0.00 0.00 58.87 58.71 2ct7 n SER 32 Cb 0.22 -2.44 0.00 0.00 -1.01 0.00 0.00 64.21 60.99 2ct7 n SER 32 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 2ct7 n PHE 33 N -4.58 0.00 0.00 1.43 -0.00 -1.26 -4.91 117.46 108.15 2ct7 n PHE 33 Ca -0.21 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.24 2ct7 n PHE 33 Cb 0.63 -0.43 0.00 0.00 -0.00 0.00 0.00 39.48 39.68 2ct7 n PHE 33 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2ct7 n GLY 34 N -0.96 0.83 3.64 7.13 0.00 -1.26 -5.06 105.19 109.50 2ct7 n GLY 34 Ca 0.00 -0.78 -0.08 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.78 0.01 1.61 -0.12 -1.24 -4.99 117.98 112.47 2ct7 s PHE 35 Ca 0.00 1.67 -0.30 0.00 -0.05 0.00 0.00 56.93 58.24 2ct7 s PHE 35 Cb 0.00 0.44 -0.06 0.00 -0.63 0.00 0.00 43.02 42.77 2ct7 s PHE 35 CO 0.00 -0.38 1.44 0.42 -0.05 0.00 0.00 175.22 176.65 2ct7 s ILE 36 N 1.03 3.62 -0.10 -4.49 -1.09 -1.26 0.28 121.20 119.19 2ct7 s ILE 36 Ca -0.05 1.01 0.09 0.00 -2.23 0.00 0.00 60.65 59.47 2ct7 s ILE 36 Cb -0.05 -3.65 -0.12 0.00 -1.58 0.00 0.00 42.46 37.06 2ct7 s ILE 36 CO -0.12 -0.00 0.03 0.00 -1.23 0.00 0.00 174.94 173.62 2ct7 n TYR 37 N 5.41 0.00 -3.54 3.97 4.11 -1.07 -4.86 117.16 121.18 2ct7 n TYR 37 Ca 0.13 0.00 -0.15 0.00 -0.00 0.00 0.00 57.90 57.88 2ct7 n TYR 37 Cb 0.43 -0.50 -0.02 0.00 -0.00 0.00 0.00 39.34 39.26 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 -2.38 -0.85 -3.09 -3.48 -0.58 -1.25 -4.87 120.64 104.14 2ct7 n GLU 38 Ca -0.17 -0.14 -0.16 0.00 -0.42 0.00 0.00 57.16 56.27 2ct7 n GLU 38 Cb 0.83 -0.87 -0.01 0.00 -0.57 0.00 0.00 31.44 30.82 2ct7 n GLU 38 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2ct7 n ARG 39 N -2.47 1.12 -0.01 3.49 1.74 -1.26 -5.07 116.66 114.20 2ct7 n ARG 39 Ca -0.08 -2.04 0.00 0.00 -0.77 0.00 0.00 57.85 54.96 2ct7 n ARG 39 Cb 0.24 0.34 -0.04 0.00 -1.02 0.00 0.00 32.46 31.99 2ct7 n ARG 39 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 2ct7 n GLU 40 N -1.06 1.72 -2.34 5.56 0.28 -1.26 -5.01 120.64 118.54 2ct7 n GLU 40 Ca -0.05 -0.02 -0.41 0.00 -0.16 0.00 0.00 57.16 56.51 2ct7 n GLU 40 Cb 0.36 -1.12 -0.03 0.00 1.43 0.00 0.00 31.44 32.08 2ct7 n GLU 40 CO 0.00 0.00 0.00 1.14 -0.16 0.00 0.00 177.13 178.11 2ct7 s GLN 41 N -2.22 4.46 -0.05 3.44 -2.07 -1.26 -4.91 119.66 117.06 2ct7 s GLN 41 Ca -0.02 1.92 0.04 0.00 -1.82 0.00 0.00 55.36 55.47 2ct7 s GLN 41 Cb 0.02 -3.23 0.19 0.00 -1.09 0.00 0.00 33.01 28.90 2ct7 s GLN 41 CO 0.20 -0.14 0.85 1.28 -1.32 0.00 0.00 175.29 176.16 2ct7 n LEU 42 N 2.58 1.89 -3.67 2.60 4.77 -1.26 -4.40 117.00 119.52 2ct7 n LEU 42 Ca 0.05 -0.96 -0.27 0.00 -0.03 0.00 0.00 56.01 54.80 2ct7 n LEU 42 Cb 0.44 -0.46 -0.11 0.00 -2.33 0.00 0.00 43.42 40.96 2ct7 n LEU 42 CO 0.56 0.32 -0.10 -0.62 -1.33 0.00 0.00 177.39 176.22 2ct7 n GLU 43 N 0.12 1.45 -3.34 3.23 4.71 -1.26 -4.24 120.64 121.31 2ct7 n GLU 43 Ca 0.06 -4.11 -0.38 0.00 -0.01 0.00 0.00 57.16 52.72 2ct7 n GLU 43 Cb 0.41 -2.07 -0.06 0.00 -1.01 0.00 0.00 31.44 28.72 2ct7 n GLU 43 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2ct7 s ALA 44 N -1.21 3.62 -0.09 0.62 0.00 -1.23 -4.92 121.76 118.56 2ct7 s ALA 44 Ca 0.30 -0.04 -0.03 0.00 0.00 0.00 0.00 51.96 52.19 2ct7 s ALA 44 Cb 0.02 -2.56 -0.03 0.00 0.00 0.00 0.00 23.12 20.54 2ct7 s ALA 44 CO -0.15 0.43 0.03 0.99 0.00 0.00 0.00 175.76 177.05 2ct7 s THR 45 N -1.12 4.51 0.05 0.00 2.01 -1.26 -2.86 115.64 116.98 2ct7 s THR 45 Ca 0.28 -0.18 -0.27 0.00 0.31 0.00 0.00 61.69 61.83 2ct7 s THR 45 Cb -0.19 -2.91 -0.05 0.00 0.01 0.00 0.00 72.50 69.36 2ct7 s THR 45 CO 0.17 0.60 0.83 0.00 -0.69 0.00 0.00 174.62 175.53 2ct7 n PRO 47 N 2.92 0.39 0.00 0.00 -0.04 -1.26 0.16 135.00 137.17 2ct7 n PRO 47 Ca -0.01 0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 2ct7 n PRO 47 Cb 0.50 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.46 2ct7 n PRO 47 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2ct7 n GLN 48 N -1.10 0.00 0.03 0.54 7.27 -1.26 -4.80 117.38 118.05 2ct7 n GLN 48 Ca 0.10 0.00 -0.08 0.00 0.07 0.00 0.00 57.00 57.09 2ct7 n GLN 48 Cb 0.08 -0.55 -0.13 0.00 2.41 0.00 0.00 30.24 32.05 2ct7 n GLN 48 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2ct7 n HIS 50 N -3.25 -1.35 -4.15 0.00 8.25 0.12 -4.92 115.22 109.93 2ct7 n HIS 50 Ca -0.07 0.21 -0.28 0.00 -0.26 0.00 0.00 57.72 57.32 2ct7 n HIS 50 Cb 0.99 -4.10 -0.07 0.00 1.12 0.00 0.00 29.99 27.93 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 -5.28 2.57 -0.49 -0.41 0.74 -1.26 -4.77 119.66 110.76 2ct7 s GLN 51 Ca 0.12 -0.95 -0.18 0.00 0.05 0.00 0.00 55.36 54.40 2ct7 s GLN 51 Cb -0.05 -2.49 0.06 0.00 1.10 0.00 0.00 33.01 31.62 2ct7 s GLN 51 CO 0.15 0.49 0.57 0.99 -0.55 0.00 0.00 175.29 176.94 2ct7 s THR 52 N -1.57 4.96 0.06 -0.34 2.01 -1.26 -3.07 115.64 116.43 2ct7 s THR 52 Ca 0.28 -0.57 0.06 0.00 0.31 0.00 0.00 61.69 61.77 2ct7 s THR 52 Cb -0.10 -4.24 -0.03 0.00 0.01 0.00 0.00 72.50 68.14 2ct7 s THR 52 CO 0.20 -0.72 -0.16 0.72 -0.69 0.00 0.00 174.62 173.96 2ct7 s PHE 53 N 2.41 1.39 0.62 4.92 -0.71 -1.13 -1.92 117.98 123.55 2ct7 s PHE 53 Ca 0.13 -0.41 -0.19 0.00 -1.04 0.00 0.00 56.93 55.42 2ct7 s PHE 53 Cb -0.20 -0.80 -0.02 0.00 -1.21 0.00 0.00 43.02 40.80 2ct7 s PHE 53 CO 0.11 0.08 1.32 0.00 -1.34 0.00 0.00 175.22 175.39 2ct7 n VAL 55 N -1.70 0.00 0.00 0.00 0.24 -1.26 -2.95 118.33 112.66 2ct7 n VAL 55 Ca 0.15 -0.12 0.00 0.00 -2.04 0.00 0.00 64.34 62.32 2ct7 n VAL 55 Cb 0.47 0.54 0.00 0.00 -1.47 0.00 0.00 33.84 33.39 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 -0.73 0.00 0.13 7.34 1.74 -1.26 -4.64 116.66 119.24 2ct7 n ARG 56 Ca 0.10 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.31 2ct7 n ARG 56 Cb 0.36 -0.39 0.48 0.00 -1.02 0.00 0.00 32.46 31.90 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 -2.30 -6.96 -4.59 0.00 4.76 -1.15 -5.00 118.16 102.91 2ct7 n LYS 58 Ca 0.03 0.77 -0.27 0.00 -2.87 0.00 0.00 58.31 55.96 2ct7 n LYS 58 Cb 0.28 -5.74 -0.10 0.00 -1.84 0.00 0.00 35.03 27.63 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 -6.18 1.92 -0.19 1.97 1.70 -1.26 -4.37 118.95 112.54 2ct7 s ARG 59 Ca 0.45 -2.12 -0.28 0.00 -0.47 0.00 0.00 55.73 53.31 2ct7 s ARG 59 Cb -0.20 -1.33 -0.05 0.00 -0.57 0.00 0.00 34.95 32.79 2ct7 s ARG 59 CO 0.76 -0.18 2.18 -1.14 -1.08 0.00 0.00 175.30 175.84 2ct7 s GLN 60 N -3.79 3.25 0.89 3.89 0.74 -1.26 -0.88 119.66 122.49 2ct7 s GLN 60 Ca 0.29 2.08 -0.14 0.00 0.05 0.00 0.00 55.36 57.64 2ct7 s GLN 60 Cb 0.08 -4.35 0.02 0.00 1.10 0.00 0.00 33.01 29.86 2ct7 s GLN 60 CO 0.14 -1.98 0.47 1.87 -0.55 0.00 0.00 175.29 175.25 2ct7 n TRP 61 N 11.20 -1.17 -3.72 1.67 -0.00 -0.81 -4.84 117.44 119.78 2ct7 n TRP 61 Ca 0.28 0.27 -0.12 0.00 -0.00 0.00 0.00 57.50 57.94 2ct7 n TRP 61 Cb 0.45 -1.83 -0.11 0.00 -0.00 0.00 0.00 31.31 29.81 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 -3.43 0.39 0.49 5.87 2.56 -1.26 -4.98 118.70 118.35 2ct7 s GLU 62 Ca 0.60 0.63 0.35 0.00 0.00 0.00 0.00 54.97 56.55 2ct7 s GLU 62 Cb -0.25 0.08 1.50 0.00 2.00 0.00 0.00 34.13 37.45 2ct7 s GLU 62 CO 0.64 -0.11 1.68 0.93 -0.56 0.00 0.00 175.26 177.84 2ct7 h GLU 63 N 6.38 0.08 -0.19 4.30 5.08 -1.97 1.33 114.58 129.60 2ct7 h GLU 63 Ca -0.32 -0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 57.89 2ct7 h GLU 63 Cb 1.18 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 2ct7 h GLU 63 CO 0.29 0.05 -0.48 1.96 -1.00 0.00 0.00 179.01 179.83 2ct7 h GLN 64 N 0.08 0.49 -0.47 2.33 1.08 -2.01 -2.99 115.11 113.62 2ct7 h GLN 64 Ca 0.76 -0.28 0.00 0.00 -1.45 0.00 0.00 58.65 57.68 2ct7 h GLN 64 Cb 2.66 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 30.09 2ct7 h GLN 64 CO -0.20 0.87 0.31 1.25 -0.95 0.00 0.00 178.83 180.11 2ct7 h HIS 65 N 0.39 0.59 -1.88 2.96 2.76 0.14 -3.40 115.15 116.71 2ct7 h HIS 65 Ca 0.02 0.01 -0.65 0.00 -2.20 0.00 0.00 60.37 57.55 2ct7 h HIS 65 Cb 0.99 -0.20 0.06 0.00 1.55 0.00 0.00 27.41 29.81 2ct7 h HIS 65 CO 0.04 0.38 0.44 0.54 -1.30 0.00 0.00 177.93 178.03 2ct7 n ARG 66 N -4.46 1.31 0.00 5.26 1.74 -1.11 -0.63 116.66 118.76 2ct7 n ARG 66 Ca 0.04 0.47 0.00 0.00 -0.77 0.00 0.00 57.85 57.59 2ct7 n ARG 66 Cb 0.06 -2.08 0.00 0.00 -1.02 0.00 0.00 32.46 29.41 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 2.44 1.95 2.50 -0.13 0.00 -1.26 -4.96 105.19 105.73 2ct7 n GLY 67 Ca 0.17 -0.15 -0.15 0.00 0.00 0.00 0.00 46.02 45.89 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 0.08 -4.30 1.61 1.74 0.19 -5.13 116.66 110.86 2ct7 n ARG 68 Ca 0.00 -1.72 -0.27 0.00 -0.77 0.00 0.00 57.85 55.09 2ct7 n ARG 68 Cb 0.00 -0.46 -0.07 0.00 -1.02 0.00 0.00 32.46 30.91 2ct7 n ARG 68 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2ct7 s SER 69 N -3.66 4.29 0.43 0.55 0.01 -1.26 -4.92 113.70 109.14 2ct7 s SER 69 Ca 0.43 -1.25 0.14 0.00 1.31 0.00 0.00 55.95 56.58 2ct7 s SER 69 Cb -0.02 -0.19 1.03 0.00 0.21 0.00 0.00 66.02 67.05 2ct7 s SER 69 CO 0.29 -0.64 1.96 0.00 0.41 0.00 0.00 173.24 175.26 2ct7 h GLU 71 N 0.41 -0.24 -0.71 0.00 4.81 -2.00 -2.92 114.58 113.92 2ct7 h GLU 71 Ca 0.30 0.02 0.12 0.00 -0.13 0.00 0.00 59.36 59.67 2ct7 h GLU 71 Cb 0.62 0.06 -0.08 0.00 0.63 0.00 0.00 28.75 29.98 2ct7 h GLU 71 CO -0.09 -0.16 0.29 -0.44 -0.73 0.00 0.00 179.01 177.89 2ct7 h ASP 72 N -0.53 0.30 -0.43 1.04 3.32 -1.93 -1.71 116.42 116.49 2ct7 h ASP 72 Ca -0.03 0.09 0.09 0.00 0.02 0.00 0.00 57.03 57.20 2ct7 h ASP 72 Cb 0.19 0.06 -0.08 0.00 0.22 0.00 0.00 39.33 39.72 2ct7 h ASP 72 CO 0.04 0.14 -0.12 0.15 -1.72 0.00 0.00 179.24 177.74 2ct7 h PHE 73 N 0.47 -0.26 -0.33 4.55 3.57 -0.48 -1.73 116.94 122.73 2ct7 h PHE 73 Ca 0.38 0.04 0.07 0.00 3.53 0.00 0.00 57.97 61.99 2ct7 h PHE 73 Cb 0.52 0.18 -0.07 0.00 2.79 0.00 0.00 35.95 39.37 2ct7 h PHE 73 CO -0.15 -0.20 -0.12 0.37 -2.23 0.00 0.00 178.31 175.98 2ct7 h GLN 74 N -0.02 -0.05 -0.96 1.11 4.15 -1.11 -0.28 115.11 117.95 2ct7 h GLN 74 Ca 0.21 0.00 0.21 0.00 0.77 0.00 0.00 58.65 59.84 2ct7 h GLN 74 Cb 0.33 0.01 -0.08 0.00 0.21 0.00 0.00 27.48 27.95 2ct7 h GLN 74 CO -0.45 -0.03 0.62 -0.91 -1.93 0.00 0.00 178.83 176.12 2ct7 h ASN 75 N -0.05 0.53 0.52 -0.69 2.35 -1.11 0.44 115.58 117.57 2ct7 h ASN 75 Ca 0.16 0.06 -0.09 0.00 -0.55 0.00 0.00 56.30 55.89 2ct7 h ASN 75 Cb 0.30 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 2ct7 h ASN 75 CO -0.37 0.19 -0.43 -0.25 -1.65 0.00 0.00 177.43 174.92 2ct7 h TRP 76 N 0.52 0.00 -0.00 1.19 7.01 -0.61 -2.45 115.95 121.60 2ct7 h TRP 76 Ca 0.53 0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.52 2ct7 h TRP 76 Cb 1.15 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 28.21 2ct7 h TRP 76 CO -0.00 0.43 -0.01 0.87 -2.79 0.00 0.00 178.44 176.94 2ct7 h LYS 77 N 0.00 0.01 0.00 2.65 1.79 0.40 0.31 116.57 121.72 2ct7 h LYS 77 Ca -0.00 -0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.44 2ct7 h LYS 77 Cb 0.81 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.45 2ct7 h LYS 77 CO 0.06 0.56 -0.11 0.07 -1.08 0.00 0.00 179.45 178.95 2ct7 h ARG 78 N -0.54 0.00 0.12 3.15 0.11 -1.35 0.80 114.38 116.67 2ct7 h ARG 78 Ca 0.00 0.00 -0.27 0.00 0.10 0.00 0.00 59.98 59.81 2ct7 h ARG 78 Cb 0.56 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.64 2ct7 h ARG 78 CO 0.00 0.11 -1.35 0.52 0.10 0.00 0.00 179.97 179.35 2ct7 h MET 79 N 0.00 0.26 0.00 0.08 2.86 -1.39 -3.21 114.93 113.53 2ct7 h MET 79 Ca -0.00 -0.45 0.00 0.00 -2.06 0.00 0.00 59.70 57.19 2ct7 h MET 79 Cb 0.23 0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.06 2ct7 h MET 79 CO 0.01 1.21 -0.04 -0.91 1.06 0.00 0.00 176.91 178.25 2ct7 h ASN 80 N -0.29 0.00 -0.76 1.22 2.35 -0.13 -3.37 115.58 114.59 2ct7 h ASN 80 Ca -0.28 0.00 0.18 0.00 -0.55 0.00 0.00 56.30 55.64 2ct7 h ASN 80 Cb 1.77 0.00 -0.13 0.00 0.05 0.00 0.00 38.32 40.01 2ct7 h ASN 80 CO 0.08 0.23 0.07 0.77 -1.65 0.00 0.00 177.43 176.93 2ct7 h SER 81 N -0.42 -0.23 -0.84 5.81 4.64 0.46 -3.40 113.55 119.57 2ct7 h SER 81 Ca 0.00 0.19 -0.67 0.00 -0.47 0.00 0.00 61.79 60.84 2ct7 h SER 81 Cb 0.04 0.31 -0.03 0.00 -0.31 0.00 0.00 62.40 62.41 2ct7 h SER 81 CO 0.00 -0.15 1.44 0.61 -0.87 0.00 0.00 176.83 177.86 2ct7 n GLY 82 N -1.40 0.29 3.66 -0.77 0.00 -1.12 -4.86 105.19 100.99 2ct7 n GLY 82 Ca 0.15 0.97 -0.42 0.00 0.00 0.00 0.00 46.02 46.71 2ct7 n GLY 82 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ct7 s PRO 83 N 6.49 4.20 -1.24 1.61 0.04 -1.26 -4.92 135.00 139.92 2ct7 s PRO 83 Ca 1.13 2.01 -0.20 0.00 0.04 0.00 0.00 61.00 63.97 2ct7 s PRO 83 Cb -0.97 -3.90 -0.00 0.00 0.04 0.00 0.00 34.50 29.67 2ct7 s PRO 83 CO 0.51 -0.79 1.83 -1.12 0.04 0.00 0.00 177.00 177.47 2ct7 s SER 84 N 2.83 5.98 0.02 6.66 0.01 -1.26 -4.88 113.70 123.06 2ct7 s SER 84 Ca 0.67 -2.07 -0.03 0.00 1.31 0.00 0.00 55.95 55.83 2ct7 s SER 84 Cb -0.29 -2.58 -0.02 0.00 0.21 0.00 0.00 66.02 63.34 2ct7 s SER 84 CO 0.24 -2.08 0.04 -0.44 0.41 0.00 0.00 173.24 171.42 2ct7 s SER 85 N 5.31 0.21 0.00 2.44 0.01 -1.26 -5.32 113.70 115.09 2ct7 s SER 85 Ca 0.61 -0.50 0.00 0.00 1.31 0.00 0.00 55.95 57.37 2ct7 s SER 85 Cb 0.02 0.17 0.00 0.00 0.21 0.00 0.00 66.02 66.41 2ct7 s SER 85 CO 0.10 -0.40 0.00 0.61 0.41 0.00 0.00 173.24 173.96