#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 0.86 -0.04 1.61 0.15 -1.26 -5.17 113.70 109.86 2ct7 s SER 2 Ca 0.00 -1.45 0.03 0.00 0.70 0.00 0.00 55.95 55.22 2ct7 s SER 2 Cb 0.00 0.33 0.01 0.00 -1.71 0.00 0.00 66.02 64.65 2ct7 s SER 2 CO 0.00 -0.84 -0.11 -0.55 1.20 0.00 0.00 173.24 172.95 2ct7 s SER 3 N -3.27 1.47 0.09 5.45 0.15 -1.26 -4.99 113.70 111.35 2ct7 s SER 3 Ca 0.38 -0.23 0.00 0.00 0.70 0.00 0.00 55.95 56.80 2ct7 s SER 3 Cb 0.06 -0.49 0.00 0.00 -1.71 0.00 0.00 66.02 63.89 2ct7 s SER 3 CO 0.15 0.06 0.00 0.61 1.20 0.00 0.00 173.24 175.26 2ct7 n GLY 4 N 3.44 0.68 3.55 9.45 0.00 -1.26 -4.78 105.19 116.27 2ct7 n GLY 4 Ca -0.20 0.52 -0.21 0.00 0.00 0.00 0.00 46.02 46.13 2ct7 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ct7 n SER 5 N 4.20 -4.08 -4.63 1.61 7.64 -1.26 -4.91 113.62 112.18 2ct7 n SER 5 Ca 0.00 -0.61 -0.40 0.00 1.01 0.00 0.00 58.87 58.87 2ct7 n SER 5 Cb 0.00 -4.95 0.02 0.00 -1.01 0.00 0.00 64.21 58.27 2ct7 n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2ct7 n SER 6 N -3.06 1.46 0.00 6.43 7.64 -1.26 -4.76 113.62 120.07 2ct7 n SER 6 Ca -0.14 1.00 0.00 0.00 1.01 0.00 0.00 58.87 60.74 2ct7 n SER 6 Cb 0.61 -1.40 0.00 0.00 -1.01 0.00 0.00 64.21 62.42 2ct7 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ct7 n GLY 7 N 1.12 -0.66 1.63 0.23 0.00 -1.26 -4.63 105.19 101.62 2ct7 n GLY 7 Ca 0.10 -1.48 -0.04 0.00 0.00 0.00 0.00 46.02 44.60 2ct7 n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ct7 n ALA 8 N 0.03 4.54 -3.62 4.61 0.00 -1.26 -4.79 120.51 120.01 2ct7 n ALA 8 Ca 0.00 -0.50 -0.06 0.00 0.00 0.00 0.00 53.44 52.89 2ct7 n ALA 8 Cb 0.00 -1.28 -0.02 0.00 0.00 0.00 0.00 19.45 18.15 2ct7 n ALA 8 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2ct7 s LEU 9 N -0.17 -0.27 -0.22 0.00 2.96 -1.26 -5.03 118.68 114.69 2ct7 s LEU 9 Ca 0.15 -0.19 -0.03 0.00 -0.22 0.00 0.00 54.13 53.84 2ct7 s LEU 9 Cb 0.08 2.07 0.01 0.00 0.50 0.00 0.00 46.19 48.85 2ct7 s LEU 9 CO -0.00 -0.74 2.64 2.22 -1.32 0.00 0.00 176.35 179.14 2ct7 n PHE 10 N -0.36 0.87 -3.84 5.38 -1.74 -1.26 -4.81 117.46 111.71 2ct7 n PHE 10 Ca -0.07 -1.66 -0.26 0.00 -0.56 0.00 0.00 57.45 54.89 2ct7 n PHE 10 Cb 0.61 -1.16 -0.03 0.00 1.52 0.00 0.00 39.48 40.43 2ct7 n PHE 10 CO 0.00 0.00 0.00 0.72 -0.56 0.00 0.00 176.76 176.92 2ct7 n HIS 11 N 1.26 -0.88 -3.56 2.97 8.25 -1.26 -4.89 115.22 117.10 2ct7 n HIS 11 Ca 0.33 0.24 -0.08 0.00 -0.26 0.00 0.00 57.72 57.95 2ct7 n HIS 11 Cb 0.64 -1.87 -0.09 0.00 1.12 0.00 0.00 29.99 29.79 2ct7 n HIS 11 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2ct7 s LYS 12 N -6.30 0.34 -0.53 -0.41 1.02 -1.26 -5.04 119.74 107.56 2ct7 s LYS 12 Ca 0.15 0.92 0.02 0.00 0.02 0.00 0.00 55.97 57.08 2ct7 s LYS 12 Cb -0.09 0.15 0.43 0.00 -0.52 0.00 0.00 37.83 37.80 2ct7 s LYS 12 CO 0.67 -0.36 1.59 1.17 -0.92 0.00 0.00 175.35 177.50 2ct7 n LYS 13 N 5.39 3.15 -3.88 1.68 3.00 -1.26 -5.02 118.16 121.22 2ct7 n LYS 13 Ca -0.07 -3.84 -0.21 0.00 -0.00 0.00 0.00 58.31 54.19 2ct7 n LYS 13 Cb 0.50 -2.28 -0.02 0.00 0.00 0.00 0.00 35.03 33.23 2ct7 n LYS 13 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2ct7 s LEU 14 N -3.74 4.04 0.23 3.14 1.43 -1.26 -5.07 118.68 117.44 2ct7 s LEU 14 Ca 0.55 -0.13 -0.30 0.00 -1.03 0.00 0.00 54.13 53.22 2ct7 s LEU 14 Cb 0.45 -2.63 -0.09 0.00 0.03 0.00 0.00 46.19 43.94 2ct7 s LEU 14 CO -0.09 -0.18 1.37 0.28 0.23 0.00 0.00 176.35 177.96 2ct7 s THR 15 N -2.10 2.94 0.38 5.49 -1.32 -1.26 -5.03 115.64 114.74 2ct7 s THR 15 Ca 0.37 0.79 0.07 0.00 -1.21 0.00 0.00 61.69 61.70 2ct7 s THR 15 Cb -0.08 -3.50 -0.00 0.00 -1.51 0.00 0.00 72.50 67.40 2ct7 s THR 15 CO 0.28 0.13 0.52 -1.61 -2.21 0.00 0.00 174.62 171.73 2ct7 s GLU 16 N -0.33 3.00 -1.44 7.08 2.02 -1.26 -4.48 118.70 123.29 2ct7 s GLU 16 Ca 0.57 -1.05 -0.10 0.00 0.02 0.00 0.00 54.97 54.41 2ct7 s GLU 16 Cb -0.39 -2.78 0.06 0.00 0.10 0.00 0.00 34.13 31.13 2ct7 s GLU 16 CO 0.41 -0.09 0.71 0.41 0.02 0.00 0.00 175.26 176.72 2ct7 n GLY 17 N -1.75 -0.50 0.26 -1.39 0.00 -1.26 -4.80 105.19 95.74 2ct7 n GLY 17 Ca 0.03 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2ct7 n GLY 17 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2ct7 n VAL 18 N -4.36 0.00 -1.91 1.61 0.31 -1.26 -4.93 118.33 107.79 2ct7 n VAL 18 Ca -0.01 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 64.08 2ct7 n VAL 18 Cb 0.55 -0.44 -0.08 0.00 -0.91 0.00 0.00 33.84 32.96 2ct7 n VAL 18 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2ct7 n LEU 19 N -2.21 2.53 -0.09 7.52 4.77 -1.26 -4.47 117.00 123.79 2ct7 n LEU 19 Ca 0.00 -2.97 -0.16 0.00 -0.03 0.00 0.00 56.01 52.85 2ct7 n LEU 19 Cb 0.29 -1.74 -0.08 0.00 -2.33 0.00 0.00 43.42 39.57 2ct7 n LEU 19 CO 0.00 -2.41 -1.13 1.15 -1.33 0.00 0.00 177.39 173.67 2ct7 n MET 20 N 8.22 0.44 -1.61 3.23 0.00 -1.26 -4.95 117.12 121.18 2ct7 n MET 20 Ca 0.44 0.14 -0.49 0.00 0.00 0.00 0.00 57.70 57.79 2ct7 n MET 20 Cb 0.47 -1.29 -0.05 0.00 0.00 0.00 0.00 33.22 32.34 2ct7 n MET 20 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 175.97 173.84 2ct7 n ARG 21 N -3.40 1.81 -2.57 3.17 0.63 -1.26 -4.94 116.66 110.11 2ct7 n ARG 21 Ca -0.35 0.61 -0.30 0.00 -0.92 0.00 0.00 57.85 56.89 2ct7 n ARG 21 Cb 0.81 -2.67 -0.02 0.00 0.45 0.00 0.00 32.46 31.03 2ct7 n ARG 21 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2ct7 s ASP 22 N 5.57 6.48 0.00 6.15 1.01 -1.26 -5.06 116.67 129.55 2ct7 s ASP 22 Ca 0.99 1.27 0.00 0.00 0.71 0.00 0.00 52.55 55.51 2ct7 s ASP 22 Cb -0.70 -2.38 0.00 0.00 1.01 0.00 0.00 42.92 40.85 2ct7 s ASP 22 CO 0.49 -0.54 0.00 -0.81 0.21 0.00 0.00 175.17 174.52 2ct7 n PRO 23 N -1.70 0.00 -3.88 8.23 -0.04 -1.26 -4.85 135.00 131.50 2ct7 n PRO 23 Ca 0.04 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.19 2ct7 n PRO 23 Cb 0.54 -0.24 -0.15 0.00 -0.04 0.00 0.00 33.50 33.61 2ct7 n PRO 23 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2ct7 s LYS 24 N 0.00 1.12 -0.28 0.54 2.36 -1.26 -5.08 119.74 117.13 2ct7 s LYS 24 Ca 0.00 -1.50 -0.29 0.00 -2.55 0.00 0.00 55.97 51.63 2ct7 s LYS 24 Cb 0.00 -2.62 -0.02 0.00 -1.05 0.00 0.00 37.83 34.13 2ct7 s LYS 24 CO 0.00 -0.97 1.75 0.12 1.55 0.00 0.00 175.35 177.81 2ct7 s PHE 25 N 1.23 1.88 -0.13 4.03 5.36 -1.26 -4.04 117.98 125.04 2ct7 s PHE 25 Ca 0.11 0.56 -0.01 0.00 -0.96 0.00 0.00 56.93 56.63 2ct7 s PHE 25 Cb -0.18 -4.09 0.03 0.00 -0.34 0.00 0.00 43.02 38.44 2ct7 s PHE 25 CO -0.16 -3.05 -0.06 -1.17 -1.46 0.00 0.00 175.22 169.32 2ct7 s LEU 26 N 6.30 1.33 0.17 6.12 1.98 0.44 -5.01 118.68 130.01 2ct7 s LEU 26 Ca 0.78 -0.45 -0.10 0.00 -2.89 0.00 0.00 54.13 51.47 2ct7 s LEU 26 Cb -0.24 -0.85 -0.00 0.00 0.66 0.00 0.00 46.19 45.75 2ct7 s LEU 26 CO 0.33 -0.15 0.32 -1.66 -1.89 0.00 0.00 176.35 173.29 2ct7 s TRP 27 N 1.69 0.35 0.47 5.38 1.48 -1.26 -3.23 118.94 123.82 2ct7 s TRP 27 Ca 0.03 -0.71 -0.24 0.00 -1.06 0.00 0.00 56.10 54.13 2ct7 s TRP 27 Cb -0.14 -0.00 -0.07 0.00 -1.16 0.00 0.00 33.47 32.10 2ct7 s TRP 27 CO -0.08 -0.75 1.26 0.00 -4.06 0.00 0.00 176.95 173.31 2ct7 h ALA 29 N 2.09 1.33 0.00 0.00 0.00 -1.99 -0.82 119.26 119.88 2ct7 h ALA 29 Ca -0.50 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.21 2ct7 h ALA 29 Cb 1.26 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2ct7 h ALA 29 CO 0.60 0.27 -0.56 1.04 0.00 0.00 0.00 179.25 180.60 2ct7 n GLN 30 N -3.83 0.30 -0.30 0.00 1.13 -1.26 -4.63 117.38 108.79 2ct7 n GLN 30 Ca -0.02 0.12 0.05 0.00 -1.94 0.00 0.00 57.00 55.21 2ct7 n GLN 30 Cb 0.31 -1.00 0.19 0.00 0.11 0.00 0.00 30.24 29.85 2ct7 n GLN 30 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2ct7 n SER 32 N -4.77 -4.23 0.00 0.00 7.64 -0.31 -4.92 113.62 107.04 2ct7 n SER 32 Ca 0.15 -0.65 0.00 0.00 1.01 0.00 0.00 58.87 59.38 2ct7 n SER 32 Cb 0.33 -4.70 0.00 0.00 -1.01 0.00 0.00 64.21 58.84 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 -4.62 0.00 0.00 1.43 7.35 -1.26 -4.87 117.46 115.49 2ct7 n PHE 33 Ca -0.10 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.59 2ct7 n PHE 33 Cb 0.60 -0.45 0.00 0.00 0.35 0.00 0.00 39.48 39.98 2ct7 n PHE 33 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2ct7 n GLY 34 N -0.99 0.75 3.54 7.13 0.00 -1.26 -5.05 105.19 109.32 2ct7 n GLY 34 Ca 0.00 -0.68 -0.14 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 -0.78 0.98 -0.05 1.61 -0.12 -1.20 -5.03 117.98 113.39 2ct7 s PHE 35 Ca 0.00 -1.27 0.03 0.00 -0.05 0.00 0.00 56.93 55.64 2ct7 s PHE 35 Cb 0.00 0.06 -0.03 0.00 -0.63 0.00 0.00 43.02 42.42 2ct7 s PHE 35 CO 0.00 -1.24 -0.14 0.42 -0.05 0.00 0.00 175.22 174.21 2ct7 s ILE 36 N -2.79 3.13 -0.23 -4.49 -1.09 -1.26 -0.42 121.20 114.06 2ct7 s ILE 36 Ca 0.29 -0.70 0.02 0.00 -2.23 0.00 0.00 60.65 58.02 2ct7 s ILE 36 Cb -0.01 -2.23 -0.15 0.00 -1.58 0.00 0.00 42.46 38.49 2ct7 s ILE 36 CO 0.20 0.59 -0.20 0.00 -1.23 0.00 0.00 174.94 174.30 2ct7 n TYR 37 N 2.30 0.00 -3.66 3.97 4.11 -1.26 -4.95 117.16 117.68 2ct7 n TYR 37 Ca -0.17 0.00 -0.23 0.00 -0.00 0.00 0.00 57.90 57.50 2ct7 n TYR 37 Cb 0.52 -0.87 -0.06 0.00 -0.00 0.00 0.00 39.34 38.93 2ct7 n TYR 37 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.86 174.95 2ct7 n GLU 38 N -3.17 -0.91 -3.88 -3.48 0.00 -1.26 -4.88 120.64 103.06 2ct7 n GLU 38 Ca -0.40 0.07 -0.22 0.00 0.00 0.00 0.00 57.16 56.61 2ct7 n GLU 38 Cb 0.93 -2.63 -0.04 0.00 0.00 0.00 0.00 31.44 29.70 2ct7 n GLU 38 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.13 177.63 2ct7 s ARG 39 N -5.69 2.58 -0.51 5.31 3.52 -1.26 -5.04 118.95 117.87 2ct7 s ARG 39 Ca 0.18 -1.41 0.02 0.00 -0.13 0.00 0.00 55.73 54.38 2ct7 s ARG 39 Cb -0.10 -2.36 0.49 0.00 -1.56 0.00 0.00 34.95 31.42 2ct7 s ARG 39 CO 0.67 0.06 1.77 -0.85 -0.81 0.00 0.00 175.30 176.14 2ct7 n GLU 40 N -1.32 2.72 -3.92 5.12 0.28 -1.26 -4.95 120.64 117.30 2ct7 n GLU 40 Ca -0.02 -3.43 -0.10 0.00 -0.16 0.00 0.00 57.16 53.46 2ct7 n GLU 40 Cb 0.61 -2.21 -0.11 0.00 1.43 0.00 0.00 31.44 31.15 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 -3.63 0.35 -0.16 3.44 -2.07 -1.26 -5.03 119.66 111.30 2ct7 s GLN 41 Ca 0.58 -0.46 0.02 0.00 -1.82 0.00 0.00 55.36 53.69 2ct7 s GLN 41 Cb 0.47 0.14 0.27 0.00 -1.09 0.00 0.00 33.01 32.80 2ct7 s GLN 41 CO 0.02 -0.07 1.31 1.28 -1.32 0.00 0.00 175.29 176.50 2ct7 n LEU 42 N 1.69 4.24 -3.73 2.60 4.77 -1.26 -4.68 117.00 120.62 2ct7 n LEU 42 Ca -0.22 -2.20 -0.29 0.00 -0.03 0.00 0.00 56.01 53.26 2ct7 n LEU 42 Cb 0.56 -0.62 -0.15 0.00 -2.33 0.00 0.00 43.42 40.87 2ct7 n LEU 42 CO 0.21 0.67 -0.34 -1.61 -1.33 0.00 0.00 177.39 174.98 2ct7 s GLU 43 N -1.33 0.71 -0.14 3.23 2.02 -1.26 -4.39 118.70 117.53 2ct7 s GLU 43 Ca 0.22 -0.88 -0.02 0.00 0.02 0.00 0.00 54.97 54.31 2ct7 s GLU 43 Cb 0.18 -1.99 -0.02 0.00 0.10 0.00 0.00 34.13 32.41 2ct7 s GLU 43 CO 0.05 -0.89 -0.09 0.00 0.02 0.00 0.00 175.26 174.34 2ct7 s ALA 44 N 1.69 2.77 0.19 5.21 0.00 -1.14 -4.96 121.76 125.53 2ct7 s ALA 44 Ca 0.06 -0.88 -0.05 0.00 0.00 0.00 0.00 51.96 51.10 2ct7 s ALA 44 Cb -0.17 -1.37 -0.06 0.00 0.00 0.00 0.00 23.12 21.52 2ct7 s ALA 44 CO -0.21 0.20 0.44 0.99 0.00 0.00 0.00 175.76 177.18 2ct7 s THR 45 N 0.42 5.10 -0.23 0.00 2.01 -1.26 -1.31 115.64 120.37 2ct7 s THR 45 Ca -0.07 0.06 -0.17 0.00 0.31 0.00 0.00 61.69 61.81 2ct7 s THR 45 Cb -0.15 -3.66 -0.03 0.00 0.01 0.00 0.00 72.50 68.67 2ct7 s THR 45 CO 0.04 -0.08 0.47 0.00 -0.69 0.00 0.00 174.62 174.36 2ct7 n PRO 47 N 5.07 0.49 0.00 0.00 -0.04 -1.26 0.25 135.00 139.51 2ct7 n PRO 47 Ca -0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 2ct7 n PRO 47 Cb 0.50 -1.28 0.00 0.00 -0.04 0.00 0.00 33.50 32.69 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 -0.78 2.07 -0.06 0.54 -0.00 -1.26 -4.82 117.38 113.07 2ct7 n GLN 48 Ca 0.07 0.00 0.02 0.00 -0.00 0.00 0.00 57.00 57.08 2ct7 n GLN 48 Cb 0.03 -0.76 0.02 0.00 -0.00 0.00 0.00 30.24 29.54 2ct7 n GLN 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2ct7 n HIS 50 N -0.45 -0.56 -3.98 0.00 8.25 0.68 -4.75 115.22 114.41 2ct7 n HIS 50 Ca 0.03 0.21 -0.35 0.00 -0.26 0.00 0.00 57.72 57.34 2ct7 n HIS 50 Cb 0.43 -1.22 -0.13 0.00 1.12 0.00 0.00 29.99 30.20 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 -5.19 3.56 -0.72 -0.41 0.74 -1.26 -4.61 119.66 111.77 2ct7 s GLN 51 Ca 0.05 -0.54 -0.27 0.00 0.05 0.00 0.00 55.36 54.65 2ct7 s GLN 51 Cb -0.03 -3.10 0.03 0.00 1.10 0.00 0.00 33.01 31.01 2ct7 s GLN 51 CO 0.43 -0.08 1.32 0.99 -0.55 0.00 0.00 175.29 177.41 2ct7 s THR 52 N 1.24 3.70 0.05 -0.34 2.01 -1.25 -2.66 115.64 118.39 2ct7 s THR 52 Ca 0.03 0.41 0.09 0.00 0.31 0.00 0.00 61.69 62.53 2ct7 s THR 52 Cb -0.15 -4.83 -0.03 0.00 0.01 0.00 0.00 72.50 67.50 2ct7 s THR 52 CO 0.01 -1.76 -0.24 0.72 -0.69 0.00 0.00 174.62 172.66 2ct7 s PHE 53 N 5.98 2.08 0.62 4.92 -0.71 -0.43 -1.28 117.98 129.16 2ct7 s PHE 53 Ca 0.38 -0.39 -0.18 0.00 -1.04 0.00 0.00 56.93 55.70 2ct7 s PHE 53 Cb -0.08 -1.23 -0.04 0.00 -1.21 0.00 0.00 43.02 40.45 2ct7 s PHE 53 CO 0.16 0.13 0.98 0.00 -1.34 0.00 0.00 175.22 175.15 2ct7 n VAL 55 N -1.83 0.00 -0.03 0.00 0.24 -1.26 -2.65 118.33 112.80 2ct7 n VAL 55 Ca 0.14 -0.10 -0.03 0.00 -2.04 0.00 0.00 64.34 62.32 2ct7 n VAL 55 Cb 0.48 0.56 -0.01 0.00 -1.47 0.00 0.00 33.84 33.40 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 -0.91 0.18 0.19 7.34 1.74 -1.26 -4.64 116.66 119.31 2ct7 n ARG 56 Ca 0.09 0.11 0.09 0.00 -0.77 0.00 0.00 57.85 57.37 2ct7 n ARG 56 Cb 0.36 -0.86 0.16 0.00 -1.02 0.00 0.00 32.46 31.09 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 -3.16 -5.51 -4.53 0.00 4.01 -1.09 -5.02 118.16 102.86 2ct7 n LYS 58 Ca 0.03 0.64 -0.25 0.00 -0.51 0.00 0.00 58.31 58.22 2ct7 n LYS 58 Cb 0.59 -5.08 -0.10 0.00 -0.51 0.00 0.00 35.03 29.92 2ct7 n LYS 58 CO 0.00 0.00 0.00 -0.98 -1.11 0.00 0.00 177.40 175.31 2ct7 s ARG 59 N -5.45 1.82 -0.35 1.97 1.70 -1.26 -4.70 118.95 112.69 2ct7 s ARG 59 Ca 0.19 -2.04 -0.31 0.00 -0.47 0.00 0.00 55.73 53.10 2ct7 s ARG 59 Cb -0.08 -1.14 -0.09 0.00 -0.57 0.00 0.00 34.95 33.06 2ct7 s ARG 59 CO 0.56 -0.18 2.25 0.94 -1.08 0.00 0.00 175.30 177.79 2ct7 n GLN 60 N -0.84 1.33 -1.58 3.89 7.27 -1.26 -1.45 117.38 124.74 2ct7 n GLN 60 Ca -0.05 0.32 -0.42 0.00 0.07 0.00 0.00 57.00 56.93 2ct7 n GLN 60 Cb 0.67 -2.81 0.01 0.00 2.41 0.00 0.00 30.24 30.51 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 11.30 0.89 -4.18 3.69 -0.00 -0.40 -4.84 117.44 123.89 2ct7 n TRP 61 Ca 0.38 0.58 -0.16 0.00 -0.00 0.00 0.00 57.50 58.30 2ct7 n TRP 61 Cb 0.34 -2.19 -0.13 0.00 -0.00 0.00 0.00 31.31 29.33 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 -1.90 0.66 0.31 5.87 2.56 -1.26 -4.96 118.70 119.98 2ct7 s GLU 62 Ca 0.63 -0.67 0.04 0.00 0.00 0.00 0.00 54.97 54.97 2ct7 s GLU 62 Cb -0.58 -0.57 0.66 0.00 2.00 0.00 0.00 34.13 35.63 2ct7 s GLU 62 CO 0.57 0.13 1.85 0.93 -0.56 0.00 0.00 175.26 178.18 2ct7 h GLU 63 N 4.90 0.85 -0.34 4.30 5.08 -2.02 -0.75 114.58 126.61 2ct7 h GLU 63 Ca -0.35 -0.05 -0.15 0.00 -1.00 0.00 0.00 59.36 57.81 2ct7 h GLU 63 Cb 1.19 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.24 2ct7 h GLU 63 CO 0.43 0.56 -0.37 1.96 -1.00 0.00 0.00 179.01 180.60 2ct7 h GLN 64 N 0.88 0.80 -0.34 2.33 1.08 -2.00 -2.93 115.11 114.94 2ct7 h GLN 64 Ca 0.48 -0.41 0.05 0.00 -1.45 0.00 0.00 58.65 57.33 2ct7 h GLN 64 Cb 0.58 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 28.00 2ct7 h GLN 64 CO -0.25 1.04 0.23 1.25 -0.95 0.00 0.00 178.83 180.15 2ct7 h HIS 65 N 0.66 0.23 -0.76 2.96 2.76 -1.46 -1.22 115.15 118.32 2ct7 h HIS 65 Ca 0.06 0.01 0.14 0.00 -2.20 0.00 0.00 60.37 58.38 2ct7 h HIS 65 Cb 0.93 -0.08 -0.05 0.00 1.55 0.00 0.00 27.41 29.76 2ct7 h HIS 65 CO 0.05 0.13 0.51 0.07 -1.30 0.00 0.00 177.93 177.38 2ct7 h ARG 66 N 0.23 0.45 -0.52 5.26 -0.00 -1.26 0.80 114.38 119.34 2ct7 h ARG 66 Ca 0.15 -0.03 0.00 0.00 -0.00 0.00 0.00 59.98 60.10 2ct7 h ARG 66 Cb 0.30 -0.10 0.00 0.00 -0.00 0.00 0.00 29.97 30.17 2ct7 h ARG 66 CO -0.03 0.30 0.00 0.41 -0.00 0.00 0.00 179.97 180.65 2ct7 n GLY 67 N -1.51 3.10 3.46 0.08 0.00 -0.48 -4.98 105.19 104.87 2ct7 n GLY 67 Ca 0.14 -0.88 -0.15 0.00 0.00 0.00 0.00 46.02 45.13 2ct7 n GLY 67 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ct7 s ARG 68 N -2.26 1.86 0.49 1.61 0.52 0.28 -5.08 118.95 116.36 2ct7 s ARG 68 Ca 0.48 -1.78 0.08 0.00 -0.52 0.00 0.00 55.73 53.99 2ct7 s ARG 68 Cb 0.34 0.42 0.03 0.00 0.52 0.00 0.00 34.95 36.26 2ct7 s ARG 68 CO 0.18 -0.76 0.52 -1.54 0.02 0.00 0.00 175.30 173.72 2ct7 s SER 69 N -3.25 5.06 0.37 0.23 1.04 -1.26 -4.80 113.70 111.08 2ct7 s SER 69 Ca 0.32 -0.84 0.08 0.00 0.48 0.00 0.00 55.95 55.99 2ct7 s SER 69 Cb 0.00 -0.13 0.80 0.00 0.10 0.00 0.00 66.02 66.79 2ct7 s SER 69 CO 0.21 -0.95 1.93 0.00 0.98 0.00 0.00 173.24 175.40 2ct7 h GLU 71 N 0.70 -0.08 -1.00 0.00 4.81 -2.01 -3.18 114.58 113.82 2ct7 h GLU 71 Ca 0.36 0.01 0.21 0.00 -0.13 0.00 0.00 59.36 59.81 2ct7 h GLU 71 Cb 0.47 0.02 -0.11 0.00 0.63 0.00 0.00 28.75 29.76 2ct7 h GLU 71 CO -0.14 -0.06 0.61 -0.44 -0.73 0.00 0.00 179.01 178.26 2ct7 h ASP 72 N -0.44 0.70 -0.07 1.04 3.32 -1.94 -1.21 116.42 117.81 2ct7 h ASP 72 Ca -0.01 0.10 0.04 0.00 0.02 0.00 0.00 57.03 57.18 2ct7 h ASP 72 Cb 0.07 -0.02 -0.05 0.00 0.22 0.00 0.00 39.33 39.55 2ct7 h ASP 72 CO 0.01 0.20 -0.24 0.15 -1.72 0.00 0.00 179.24 177.65 2ct7 h PHE 73 N 0.66 -0.63 -0.28 4.55 3.57 -0.17 -2.11 116.94 122.53 2ct7 h PHE 73 Ca 0.59 0.03 0.07 0.00 3.53 0.00 0.00 57.97 62.19 2ct7 h PHE 73 Cb 1.07 0.29 -0.07 0.00 2.79 0.00 0.00 35.95 40.03 2ct7 h PHE 73 CO -0.00 -0.32 -0.19 0.37 -2.23 0.00 0.00 178.31 175.94 2ct7 h GLN 74 N -0.33 -0.16 -0.89 1.11 4.15 -1.20 0.48 115.11 118.28 2ct7 h GLN 74 Ca 0.08 0.01 0.22 0.00 0.77 0.00 0.00 58.65 59.73 2ct7 h GLN 74 Cb 0.45 0.04 -0.06 0.00 0.21 0.00 0.00 27.48 28.12 2ct7 h GLN 74 CO -0.26 -0.11 0.60 -0.91 -1.93 0.00 0.00 178.83 176.23 2ct7 h ASN 75 N -0.16 0.28 0.82 -0.69 2.35 -1.23 0.46 115.58 117.40 2ct7 h ASN 75 Ca 0.15 0.03 -0.13 0.00 -0.55 0.00 0.00 56.30 55.81 2ct7 h ASN 75 Cb 0.39 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.73 2ct7 h ASN 75 CO -0.38 0.11 -0.60 -0.25 -1.65 0.00 0.00 177.43 174.66 2ct7 h TRP 76 N 0.28 0.00 -0.04 1.19 7.01 -0.27 -2.79 115.95 121.32 2ct7 h TRP 76 Ca 0.45 0.00 -0.03 0.00 2.11 0.00 0.00 58.89 61.43 2ct7 h TRP 76 Cb 1.33 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.39 2ct7 h TRP 76 CO -0.00 0.60 -0.08 0.87 -2.79 0.00 0.00 178.44 177.03 2ct7 h LYS 77 N 0.00 0.13 -0.23 2.65 1.79 0.72 0.21 116.57 121.84 2ct7 h LYS 77 Ca -0.01 -0.08 -0.03 0.00 -2.18 0.00 0.00 60.65 58.35 2ct7 h LYS 77 Cb 1.16 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.81 2ct7 h LYS 77 CO 0.08 0.66 0.02 0.07 -1.08 0.00 0.00 179.45 179.20 2ct7 h ARG 78 N -0.39 0.34 0.00 3.15 0.11 -1.40 0.57 114.38 116.76 2ct7 h ARG 78 Ca 0.00 -0.05 -0.00 0.00 0.10 0.00 0.00 59.98 60.03 2ct7 h ARG 78 Cb 0.66 -0.06 0.00 0.00 1.11 0.00 0.00 29.97 31.68 2ct7 h ARG 78 CO 0.02 0.35 -0.00 0.52 0.10 0.00 0.00 179.97 180.96 2ct7 h MET 79 N 0.33 -0.00 0.14 0.08 2.86 -1.48 -3.41 114.93 113.46 2ct7 h MET 79 Ca 0.08 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.71 2ct7 h MET 79 Cb 0.20 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.86 2ct7 h MET 79 CO 0.00 0.82 -0.07 -0.91 1.06 0.00 0.00 176.91 177.81 2ct7 h ASN 80 N -1.00 -0.16 -3.77 1.22 2.35 -0.49 -3.45 115.58 110.28 2ct7 h ASN 80 Ca -0.00 0.01 -0.51 0.00 -0.55 0.00 0.00 56.30 55.24 2ct7 h ASN 80 Cb 0.82 0.04 0.03 0.00 0.05 0.00 0.00 38.32 39.26 2ct7 h ASN 80 CO 0.00 -0.01 0.54 -0.55 -1.65 0.00 0.00 177.43 175.76 2ct7 s SER 81 N -3.43 7.10 0.00 5.81 0.15 0.20 -4.92 113.70 118.61 2ct7 s SER 81 Ca -0.03 2.38 0.00 0.00 0.70 0.00 0.00 55.95 59.00 2ct7 s SER 81 Cb 0.00 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.68 2ct7 s SER 81 CO 0.08 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 174.84 2ct7 n GLY 82 N 1.26 0.55 3.56 9.45 0.00 -1.26 -4.29 105.19 114.46 2ct7 n GLY 82 Ca 0.00 0.20 -0.27 0.00 0.00 0.00 0.00 46.02 45.95 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 0.94 2.55 -0.23 1.61 0.04 -1.26 -4.84 135.00 133.80 2ct7 s PRO 83 Ca 0.00 -0.36 -0.30 0.00 0.04 0.00 0.00 61.00 60.38 2ct7 s PRO 83 Cb 0.00 -5.08 0.16 0.00 0.04 0.00 0.00 34.50 29.63 2ct7 s PRO 83 CO 0.00 -3.43 1.22 0.45 0.04 0.00 0.00 177.00 175.28 2ct7 s SER 84 N 7.92 -0.16 -0.31 6.66 0.15 -1.26 -5.11 113.70 121.59 2ct7 s SER 84 Ca 0.70 0.16 -0.35 0.00 0.70 0.00 0.00 55.95 57.16 2ct7 s SER 84 Cb -0.06 0.14 -0.11 0.00 -1.71 0.00 0.00 66.02 64.27 2ct7 s SER 84 CO 0.00 -0.16 2.15 -1.54 1.20 0.00 0.00 173.24 174.89 2ct7 n SER 85 N 0.53 2.34 0.00 5.45 3.41 -1.26 -5.21 113.62 118.88 2ct7 n SER 85 Ca -0.04 0.47 0.00 0.00 -0.26 0.00 0.00 58.87 59.04 2ct7 n SER 85 Cb 0.58 -1.29 0.00 0.00 -0.26 0.00 0.00 64.21 63.24 2ct7 n SER 85 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49