#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 -0.15 -0.03 1.61 0.15 -1.26 -5.19 113.70 108.84 2ct7 s SER 2 Ca 0.00 -0.00 -0.26 0.00 0.70 0.00 0.00 55.95 56.39 2ct7 s SER 2 Cb 0.00 0.16 0.06 0.00 -1.71 0.00 0.00 66.02 64.53 2ct7 s SER 2 CO 0.00 -0.26 0.58 -0.44 1.20 0.00 0.00 173.24 174.32 2ct7 s SER 3 N -2.21 -0.53 0.00 5.45 0.01 -1.26 -5.18 113.70 109.99 2ct7 s SER 3 Ca 0.09 0.51 0.00 0.00 1.31 0.00 0.00 55.95 57.86 2ct7 s SER 3 Cb -0.01 0.48 0.00 0.00 0.21 0.00 0.00 66.02 66.70 2ct7 s SER 3 CO -0.05 -0.59 0.00 0.61 0.41 0.00 0.00 173.24 173.62 2ct7 n GLY 4 N 0.93 1.34 3.40 3.44 0.00 -1.26 -5.16 105.19 107.88 2ct7 n GLY 4 Ca -0.20 -0.77 0.02 0.00 0.00 0.00 0.00 46.02 45.08 2ct7 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ct7 s SER 5 N 0.00 -0.84 0.03 1.61 1.04 -1.26 -5.17 113.70 109.11 2ct7 s SER 5 Ca 0.00 0.95 -0.28 0.00 0.48 0.00 0.00 55.95 57.10 2ct7 s SER 5 Cb 0.00 1.87 0.10 0.00 0.10 0.00 0.00 66.02 68.09 2ct7 s SER 5 CO 0.00 -0.16 1.03 -0.55 0.98 0.00 0.00 173.24 174.54 2ct7 s SER 6 N 2.70 -0.21 0.00 7.02 0.15 -1.26 -5.16 113.70 116.94 2ct7 s SER 6 Ca 0.00 -0.18 0.00 0.00 0.70 0.00 0.00 55.95 56.47 2ct7 s SER 6 Cb -0.10 0.35 0.00 0.00 -1.71 0.00 0.00 66.02 64.57 2ct7 s SER 6 CO -0.18 -0.62 0.00 0.61 1.20 0.00 0.00 173.24 174.25 2ct7 n GLY 7 N -0.36 3.15 3.48 9.45 0.00 -1.26 -5.19 105.19 114.46 2ct7 n GLY 7 Ca -0.07 -0.41 -0.10 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.17 0.10 4.61 0.00 -1.26 -5.15 121.76 118.88 2ct7 s ALA 8 Ca 0.00 0.03 -0.28 0.00 0.00 0.00 0.00 51.96 51.71 2ct7 s ALA 8 Cb 0.00 0.84 -0.06 0.00 0.00 0.00 0.00 23.12 23.89 2ct7 s ALA 8 CO 0.00 -0.78 0.88 -1.17 0.00 0.00 0.00 175.76 174.68 2ct7 s LEU 9 N -2.82 4.50 -0.07 0.00 1.98 -1.26 -4.94 118.68 116.07 2ct7 s LEU 9 Ca 0.06 1.67 -0.30 0.00 -2.89 0.00 0.00 54.13 52.66 2ct7 s LEU 9 Cb -0.01 -3.44 -0.15 0.00 0.66 0.00 0.00 46.19 43.25 2ct7 s LEU 9 CO -0.07 -0.00 0.86 0.49 -1.89 0.00 0.00 176.35 175.74 2ct7 n PHE 10 N 2.63 0.62 -0.18 5.38 3.72 -1.26 -4.79 117.46 123.57 2ct7 n PHE 10 Ca -0.00 0.80 -0.10 0.00 -0.05 0.00 0.00 57.45 58.10 2ct7 n PHE 10 Cb 0.49 -1.56 -0.05 0.00 -0.94 0.00 0.00 39.48 37.42 2ct7 n PHE 10 CO 0.00 0.00 0.00 1.12 -0.05 0.00 0.00 176.76 177.83 2ct7 h HIS 11 N 2.48 -1.37 -3.31 1.38 2.07 -2.07 -3.38 115.15 110.96 2ct7 h HIS 11 Ca -0.37 0.08 -0.57 0.00 -2.85 0.00 0.00 60.37 56.66 2ct7 h HIS 11 Cb 1.05 0.67 -0.06 0.00 2.57 0.00 0.00 27.41 31.64 2ct7 h HIS 11 CO 0.43 -0.44 -0.03 0.15 -3.07 0.00 0.00 177.93 174.97 2ct7 s LYS 12 N -5.80 4.32 0.31 5.12 -0.14 -1.26 -5.06 119.74 117.23 2ct7 s LYS 12 Ca -0.14 0.69 -0.01 0.00 -1.36 0.00 0.00 55.97 55.15 2ct7 s LYS 12 Cb 0.12 -3.37 -0.01 0.00 -1.68 0.00 0.00 37.83 32.89 2ct7 s LYS 12 CO 0.65 0.31 0.38 0.15 -0.76 0.00 0.00 175.35 176.07 2ct7 s LYS 13 N 0.04 1.74 0.06 1.68 -0.14 -1.26 -5.07 119.74 116.80 2ct7 s LYS 13 Ca 0.31 -1.76 -0.19 0.00 -1.36 0.00 0.00 55.97 52.97 2ct7 s LYS 13 Cb -0.18 0.39 -0.12 0.00 -1.68 0.00 0.00 37.83 36.25 2ct7 s LYS 13 CO 0.16 -0.69 1.39 -0.07 -0.76 0.00 0.00 175.35 175.38 2ct7 h LEU 14 N 2.20 0.47 -1.59 3.17 3.38 -1.97 -3.45 115.31 117.52 2ct7 h LEU 14 Ca -0.28 -0.45 -0.24 0.00 0.09 0.00 0.00 57.88 57.00 2ct7 h LEU 14 Cb 1.24 -0.13 -0.11 0.00 0.09 0.00 0.00 40.66 41.74 2ct7 h LEU 14 CO 0.40 0.82 -0.36 1.07 0.09 0.00 0.00 178.44 180.46 2ct7 n THR 15 N -4.50 -0.21 -2.02 0.22 5.66 -1.26 -4.81 114.28 107.36 2ct7 n THR 15 Ca -0.05 -0.10 -0.32 0.00 -3.05 0.00 0.00 64.05 60.53 2ct7 n THR 15 Cb 0.37 -0.30 0.00 0.00 -1.55 0.00 0.00 70.33 68.85 2ct7 n THR 15 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 2ct7 s GLU 16 N -4.10 3.50 -1.56 1.09 2.02 -1.26 -3.91 118.70 114.48 2ct7 s GLU 16 Ca 0.15 0.97 -0.06 0.00 0.02 0.00 0.00 54.97 56.06 2ct7 s GLU 16 Cb -0.09 -2.07 0.05 0.00 0.10 0.00 0.00 34.13 32.13 2ct7 s GLU 16 CO 0.39 -0.65 0.35 0.41 0.02 0.00 0.00 175.26 175.79 2ct7 n GLY 17 N -1.78 -0.24 2.79 -1.39 0.00 -1.26 -4.91 105.19 98.40 2ct7 n GLY 17 Ca 0.07 0.15 -0.29 0.00 0.00 0.00 0.00 46.02 45.95 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 -3.93 1.89 -0.62 1.61 1.01 -1.25 -4.96 120.40 114.16 2ct7 s VAL 18 Ca 0.21 -2.99 0.00 0.00 0.00 0.00 0.00 61.98 59.20 2ct7 s VAL 18 Cb -0.12 -2.31 0.43 0.00 0.00 0.00 0.00 36.38 34.38 2ct7 s VAL 18 CO 0.95 -0.89 1.83 0.18 0.00 0.00 0.00 175.10 177.17 2ct7 n LEU 19 N 3.21 7.01 -3.84 3.92 4.32 -1.26 -4.94 117.00 125.41 2ct7 n LEU 19 Ca 0.10 -4.52 -0.12 0.00 -0.02 0.00 0.00 56.01 51.44 2ct7 n LEU 19 Cb 0.34 -0.85 -0.14 0.00 -1.62 0.00 0.00 43.42 41.16 2ct7 n LEU 19 CO 0.27 1.68 -0.30 0.00 -1.22 0.00 0.00 177.39 177.82 2ct7 s MET 20 N -3.81 0.06 -0.36 3.23 0.23 -1.26 -5.03 119.30 112.36 2ct7 s MET 20 Ca 0.59 0.10 0.08 0.00 -1.03 0.00 0.00 55.69 55.43 2ct7 s MET 20 Cb 0.47 0.01 0.65 0.00 -1.53 0.00 0.00 34.83 34.43 2ct7 s MET 20 CO -0.08 -0.03 1.75 2.89 -2.03 0.00 0.00 175.02 177.53 2ct7 n ARG 21 N 3.17 2.69 -4.17 3.16 1.85 -1.26 -4.93 116.66 117.17 2ct7 n ARG 21 Ca -0.14 -3.07 -0.16 0.00 -1.00 0.00 0.00 57.85 53.49 2ct7 n ARG 21 Cb 0.59 -2.09 -0.14 0.00 -1.05 0.00 0.00 32.46 29.77 2ct7 n ARG 21 CO 0.00 0.00 0.00 0.16 -0.01 0.00 0.00 177.63 177.78 2ct7 s ASP 22 N -1.53 0.75 0.00 2.89 1.47 -1.26 -5.12 116.67 113.87 2ct7 s ASP 22 Ca 0.53 -0.21 0.00 0.00 1.18 0.00 0.00 52.55 54.04 2ct7 s ASP 22 Cb 0.44 -0.05 0.00 0.00 -0.34 0.00 0.00 42.92 42.97 2ct7 s ASP 22 CO 0.09 0.01 0.00 -0.81 0.68 0.00 0.00 175.17 175.14 2ct7 n PRO 23 N 2.58 0.00 -3.61 2.11 -0.04 -1.26 -4.95 135.00 129.83 2ct7 n PRO 23 Ca -0.15 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.10 2ct7 n PRO 23 Cb 0.57 -0.23 -0.16 0.00 -0.04 0.00 0.00 33.50 33.65 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 0.06 -0.71 0.54 -0.14 -1.26 -5.10 119.74 113.13 2ct7 s LYS 24 Ca 0.00 0.25 -0.24 0.00 -1.36 0.00 0.00 55.97 54.62 2ct7 s LYS 24 Cb 0.00 -1.01 0.06 0.00 -1.68 0.00 0.00 37.83 35.20 2ct7 s LYS 24 CO 0.00 -0.50 1.09 0.12 -0.76 0.00 0.00 175.35 175.30 2ct7 s PHE 25 N 2.24 2.55 -0.23 3.18 5.36 -1.26 -4.05 117.98 125.77 2ct7 s PHE 25 Ca 0.04 -0.42 -0.06 0.00 -0.96 0.00 0.00 56.93 55.53 2ct7 s PHE 25 Cb -0.14 -4.42 -0.02 0.00 -0.34 0.00 0.00 43.02 38.10 2ct7 s PHE 25 CO -0.08 -1.80 0.03 -1.17 -1.46 0.00 0.00 175.22 170.75 2ct7 s LEU 26 N 4.61 3.30 0.17 6.12 2.96 -1.19 -4.98 118.68 129.67 2ct7 s LEU 26 Ca 0.28 -0.24 -0.08 0.00 -0.22 0.00 0.00 54.13 53.87 2ct7 s LEU 26 Cb -0.13 -1.87 -0.01 0.00 0.50 0.00 0.00 46.19 44.68 2ct7 s LEU 26 CO 0.10 -0.01 0.26 -1.66 -1.32 0.00 0.00 176.35 173.72 2ct7 s TRP 27 N 1.46 0.52 0.05 5.38 1.48 -1.26 -2.58 118.94 123.98 2ct7 s TRP 27 Ca 0.05 -0.87 -0.31 0.00 -1.06 0.00 0.00 56.10 53.92 2ct7 s TRP 27 Cb -0.15 -0.13 -0.06 0.00 -1.16 0.00 0.00 33.47 31.97 2ct7 s TRP 27 CO 0.02 -0.71 1.22 0.00 -4.06 0.00 0.00 176.95 173.42 2ct7 n ALA 29 N 4.10 2.31 0.00 0.00 0.00 -1.26 0.77 120.51 126.42 2ct7 n ALA 29 Ca 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2ct7 n ALA 29 Cb 0.46 -1.11 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 -0.64 1.50 -0.07 0.00 1.13 -1.26 -4.82 117.38 113.21 2ct7 n GLN 30 Ca 0.05 0.00 -0.06 0.00 -1.94 0.00 0.00 57.00 55.05 2ct7 n GLN 30 Cb 0.02 -0.92 -0.12 0.00 0.11 0.00 0.00 30.24 29.34 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 -2.52 -4.05 0.05 0.00 2.88 0.23 -4.94 113.62 105.26 2ct7 n SER 32 Ca -0.23 -0.60 -0.02 0.00 -1.33 0.00 0.00 58.87 56.69 2ct7 n SER 32 Cb 0.95 -4.71 -0.01 0.00 -0.75 0.00 0.00 64.21 59.69 2ct7 n SER 32 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 2ct7 h PHE 33 N -1.35 -0.11 -0.30 0.66 3.04 -1.90 -3.46 116.94 113.52 2ct7 h PHE 33 Ca -0.54 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.41 2ct7 h PHE 33 Cb 1.29 0.04 0.00 0.00 2.56 0.00 0.00 35.95 39.84 2ct7 h PHE 33 CO 0.34 -0.07 0.00 0.41 -2.02 0.00 0.00 178.31 176.97 2ct7 n GLY 34 N -0.91 -0.39 3.64 2.40 0.00 -1.26 -5.00 105.19 103.67 2ct7 n GLY 34 Ca -0.02 -0.72 -0.08 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.64 0.41 1.61 -0.12 -1.07 -5.03 117.98 113.15 2ct7 s PHE 35 Ca 0.00 1.42 -0.24 0.00 -0.05 0.00 0.00 56.93 58.06 2ct7 s PHE 35 Cb 0.00 0.38 -0.09 0.00 -0.63 0.00 0.00 43.02 42.69 2ct7 s PHE 35 CO 0.00 -0.31 1.09 0.42 -0.05 0.00 0.00 175.22 176.37 2ct7 s ILE 36 N 0.74 3.51 0.00 -4.49 -1.09 -1.26 -3.19 121.20 115.42 2ct7 s ILE 36 Ca -0.02 1.17 0.00 0.00 -2.23 0.00 0.00 60.65 59.57 2ct7 s ILE 36 Cb -0.05 -3.61 0.00 0.00 -1.58 0.00 0.00 42.46 37.22 2ct7 s ILE 36 CO -0.09 0.02 0.00 0.00 -1.23 0.00 0.00 174.94 173.64 2ct7 n TYR 37 N -0.12 0.00 -3.56 3.97 4.11 -1.26 -4.96 117.16 115.34 2ct7 n TYR 37 Ca 0.05 0.00 -0.18 0.00 -0.00 0.00 0.00 57.90 57.77 2ct7 n TYR 37 Cb 0.49 0.00 -0.03 0.00 -0.00 0.00 0.00 39.34 39.80 2ct7 n TYR 37 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.86 176.01 2ct7 n GLU 38 N -1.88 -0.86 -0.05 -3.48 0.00 -1.26 -4.74 120.64 108.38 2ct7 n GLU 38 Ca 0.00 -0.06 0.05 0.00 0.00 0.00 0.00 57.16 57.16 2ct7 n GLU 38 Cb 0.40 -1.38 0.07 0.00 0.00 0.00 0.00 31.44 30.54 2ct7 n GLU 38 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 2ct7 n ARG 39 N -2.82 1.14 -4.41 3.44 3.00 -1.26 -4.99 116.66 110.77 2ct7 n ARG 39 Ca -0.12 -1.38 -0.36 0.00 -0.00 0.00 0.00 57.85 55.98 2ct7 n ARG 39 Cb 0.32 -1.22 -0.09 0.00 0.00 0.00 0.00 32.46 31.46 2ct7 n ARG 39 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 2ct7 n GLU 40 N 0.57 -0.83 -4.10 -0.14 0.28 -1.26 -4.91 120.64 110.25 2ct7 n GLU 40 Ca 0.08 0.11 -0.13 0.00 -0.16 0.00 0.00 57.16 57.06 2ct7 n GLU 40 Cb 0.31 -4.09 -0.11 0.00 1.43 0.00 0.00 31.44 28.98 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 -7.28 0.64 -0.36 3.44 -2.07 -1.26 -5.04 119.66 107.73 2ct7 s GLN 41 Ca 0.40 -0.91 0.03 0.00 -1.82 0.00 0.00 55.36 53.05 2ct7 s GLN 41 Cb -0.23 -0.36 0.52 0.00 -1.09 0.00 0.00 33.01 31.85 2ct7 s GLN 41 CO 1.01 0.06 1.74 1.28 -1.32 0.00 0.00 175.29 178.05 2ct7 n LEU 42 N 1.11 6.02 -3.64 2.60 4.77 -1.26 -4.72 117.00 121.87 2ct7 n LEU 42 Ca -0.20 -3.20 -0.29 0.00 -0.03 0.00 0.00 56.01 52.28 2ct7 n LEU 42 Cb 0.56 -0.78 -0.14 0.00 -2.33 0.00 0.00 43.42 40.73 2ct7 n LEU 42 CO 0.23 0.95 -0.31 -1.61 -1.33 0.00 0.00 177.39 175.32 2ct7 s GLU 43 N -2.63 0.67 0.05 3.23 2.02 -1.26 -4.64 118.70 116.14 2ct7 s GLU 43 Ca 0.45 -1.16 0.07 0.00 0.02 0.00 0.00 54.97 54.35 2ct7 s GLU 43 Cb 0.38 -1.75 -0.03 0.00 0.10 0.00 0.00 34.13 32.83 2ct7 s GLU 43 CO 0.08 -1.06 -0.19 0.00 0.02 0.00 0.00 175.26 174.11 2ct7 s ALA 44 N 1.41 1.58 0.03 5.21 0.00 -1.25 -5.07 121.76 123.69 2ct7 s ALA 44 Ca 0.12 -1.01 0.09 0.00 0.00 0.00 0.00 51.96 51.15 2ct7 s ALA 44 Cb -0.19 -0.28 -0.03 0.00 0.00 0.00 0.00 23.12 22.62 2ct7 s ALA 44 CO -0.19 0.34 -0.25 0.99 0.00 0.00 0.00 175.76 176.65 2ct7 s THR 45 N -0.87 2.02 -0.09 0.00 2.01 -1.26 -2.07 115.64 115.37 2ct7 s THR 45 Ca 0.05 -1.30 -0.30 0.00 0.31 0.00 0.00 61.69 60.46 2ct7 s THR 45 Cb -0.09 -1.72 -0.03 0.00 0.01 0.00 0.00 72.50 70.68 2ct7 s THR 45 CO 0.02 0.37 1.21 0.00 -0.69 0.00 0.00 174.62 175.53 2ct7 n PRO 47 N 5.60 0.49 0.02 0.00 -0.04 -1.26 -0.28 135.00 139.53 2ct7 n PRO 47 Ca 0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 2ct7 n PRO 47 Cb 0.46 -1.19 0.00 0.00 -0.04 0.00 0.00 33.50 32.73 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 -0.69 0.00 0.18 0.54 -0.06 -1.26 -4.83 117.38 111.26 2ct7 n GLN 48 Ca 0.04 0.00 0.09 0.00 -2.00 0.00 0.00 57.00 55.14 2ct7 n GLN 48 Cb 0.02 -0.12 0.10 0.00 -4.06 0.00 0.00 30.24 26.18 2ct7 n GLN 48 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2ct7 n HIS 50 N -3.05 -1.60 -4.14 0.00 8.25 0.62 -4.96 115.22 110.33 2ct7 n HIS 50 Ca 0.02 0.60 -0.34 0.00 -0.26 0.00 0.00 57.72 57.74 2ct7 n HIS 50 Cb 0.59 -3.57 -0.11 0.00 1.12 0.00 0.00 29.99 28.01 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 -5.48 3.77 -0.51 -0.41 -0.44 -1.26 -4.70 119.66 110.64 2ct7 s GLN 51 Ca 0.24 -0.45 -0.28 0.00 -2.50 0.00 0.00 55.36 52.36 2ct7 s GLN 51 Cb -0.11 -3.09 0.02 0.00 -1.64 0.00 0.00 33.01 28.19 2ct7 s GLN 51 CO 0.44 0.17 1.29 0.99 0.50 0.00 0.00 175.29 178.67 2ct7 s THR 52 N 0.61 3.98 0.07 -0.34 2.01 -1.26 -2.43 115.64 118.28 2ct7 s THR 52 Ca 0.00 0.94 0.08 0.00 0.31 0.00 0.00 61.69 63.01 2ct7 s THR 52 Cb -0.14 -4.50 -0.03 0.00 0.01 0.00 0.00 72.50 67.84 2ct7 s THR 52 CO 0.02 -1.07 -0.20 0.72 -0.69 0.00 0.00 174.62 173.39 2ct7 s PHE 53 N 5.21 1.75 0.75 4.92 -0.71 -0.88 -1.18 117.98 127.84 2ct7 s PHE 53 Ca 0.51 -0.40 -0.15 0.00 -1.04 0.00 0.00 56.93 55.85 2ct7 s PHE 53 Cb -0.10 -1.00 0.04 0.00 -1.21 0.00 0.00 43.02 40.76 2ct7 s PHE 53 CO 0.29 0.14 1.20 0.00 -1.34 0.00 0.00 175.22 175.51 2ct7 n VAL 55 N -2.76 0.24 -0.00 0.00 0.24 -1.26 -2.86 118.33 111.93 2ct7 n VAL 55 Ca 0.14 -0.30 -0.00 0.00 -2.04 0.00 0.00 64.34 62.14 2ct7 n VAL 55 Cb 0.49 0.09 -0.00 0.00 -1.47 0.00 0.00 33.84 32.95 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 -2.08 0.01 0.19 7.34 1.74 -1.26 -4.56 116.66 118.04 2ct7 n ARG 56 Ca 0.01 0.20 0.07 0.00 -0.77 0.00 0.00 57.85 57.36 2ct7 n ARG 56 Cb 0.46 -0.72 0.31 0.00 -1.02 0.00 0.00 32.46 31.50 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 -3.38 -5.07 -4.57 0.00 4.01 -1.13 -5.01 118.16 103.00 2ct7 n LYS 58 Ca 0.01 0.61 -0.27 0.00 -0.51 0.00 0.00 58.31 58.15 2ct7 n LYS 58 Cb 0.53 -4.93 -0.09 0.00 -0.51 0.00 0.00 35.03 30.02 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 -5.27 1.93 -0.30 1.97 1.70 -1.26 -4.68 118.95 113.05 2ct7 s ARG 59 Ca 0.12 -2.16 -0.29 0.00 -0.47 0.00 0.00 55.73 52.93 2ct7 s ARG 59 Cb -0.06 -1.01 -0.07 0.00 -0.57 0.00 0.00 34.95 33.24 2ct7 s ARG 59 CO 0.53 -0.33 2.26 0.94 -1.08 0.00 0.00 175.30 177.62 2ct7 n GLN 60 N -0.95 1.60 -0.86 3.89 7.27 -1.26 -1.17 117.38 125.91 2ct7 n GLN 60 Ca -0.08 0.39 -0.34 0.00 0.07 0.00 0.00 57.00 57.04 2ct7 n GLN 60 Cb 0.66 -3.10 0.10 0.00 2.41 0.00 0.00 30.24 30.32 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 12.07 -2.08 -3.69 3.69 -0.00 -0.33 -4.84 117.44 122.25 2ct7 n TRP 61 Ca 0.34 0.19 -0.12 0.00 -0.00 0.00 0.00 57.50 57.91 2ct7 n TRP 61 Cb 0.42 -1.73 -0.09 0.00 -0.00 0.00 0.00 31.31 29.91 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 -3.30 0.59 0.31 5.87 2.56 -1.26 -4.98 118.70 118.50 2ct7 s GLU 62 Ca 0.54 0.81 0.08 0.00 0.00 0.00 0.00 54.97 56.40 2ct7 s GLU 62 Cb -0.21 0.23 0.87 0.00 2.00 0.00 0.00 34.13 37.02 2ct7 s GLU 62 CO 0.70 -0.10 1.66 0.93 -0.56 0.00 0.00 175.26 177.89 2ct7 h GLU 63 N 5.82 0.28 -0.77 4.30 5.08 -2.01 0.50 114.58 127.78 2ct7 h GLU 63 Ca -0.30 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.00 2ct7 h GLU 63 Cb 1.18 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.34 2ct7 h GLU 63 CO 0.19 0.18 0.28 1.96 -1.00 0.00 0.00 179.01 180.63 2ct7 h GLN 64 N 0.28 1.16 -0.61 2.33 1.08 -2.00 -2.52 115.11 114.83 2ct7 h GLN 64 Ca 0.63 -0.22 0.03 0.00 -1.45 0.00 0.00 58.65 57.64 2ct7 h GLN 64 Cb 1.34 -0.18 -0.03 0.00 -0.05 0.00 0.00 27.48 28.56 2ct7 h GLN 64 CO -0.62 0.96 0.41 1.25 -0.95 0.00 0.00 178.83 179.87 2ct7 h HIS 65 N 1.12 0.69 -0.39 2.96 2.76 -0.33 -2.84 115.15 119.12 2ct7 h HIS 65 Ca 0.25 0.02 0.06 0.00 -2.20 0.00 0.00 60.37 58.50 2ct7 h HIS 65 Cb 0.25 -0.23 -0.09 0.00 1.55 0.00 0.00 27.41 28.89 2ct7 h HIS 65 CO 0.02 0.41 -0.46 0.00 -1.30 0.00 0.00 177.93 176.60 2ct7 h ARG 66 N 0.72 -0.34 -0.96 5.26 3.08 -0.95 0.40 114.38 121.59 2ct7 h ARG 66 Ca 0.25 0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.32 2ct7 h ARG 66 Cb 0.08 0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.21 2ct7 h ARG 66 CO -0.07 -0.23 0.00 0.41 -1.07 0.00 0.00 179.97 179.02 2ct7 n GLY 67 N -1.41 1.68 2.17 0.04 0.00 -1.08 -4.84 105.19 101.75 2ct7 n GLY 67 Ca -0.01 -0.10 -0.10 0.00 0.00 0.00 0.00 46.02 45.81 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 0.07 0.44 -4.37 1.61 1.74 0.14 -5.08 116.66 111.21 2ct7 n ARG 68 Ca 0.03 -1.83 -0.30 0.00 -0.77 0.00 0.00 57.85 54.98 2ct7 n ARG 68 Cb 0.36 1.74 -0.05 0.00 -1.02 0.00 0.00 32.46 33.50 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 -2.41 4.35 0.43 0.55 1.04 -1.26 -4.84 113.70 111.57 2ct7 s SER 69 Ca 0.19 -1.47 0.10 0.00 0.48 0.00 0.00 55.95 55.26 2ct7 s SER 69 Cb -0.00 0.45 0.97 0.00 0.10 0.00 0.00 66.02 67.54 2ct7 s SER 69 CO 0.14 -0.95 2.05 0.00 0.98 0.00 0.00 173.24 175.46 2ct7 h GLU 71 N 0.44 -0.09 -0.85 0.00 4.81 -2.00 -3.15 114.58 113.72 2ct7 h GLU 71 Ca 0.16 0.01 0.12 0.00 -0.13 0.00 0.00 59.36 59.52 2ct7 h GLU 71 Cb 0.12 0.02 -0.08 0.00 0.63 0.00 0.00 28.75 29.43 2ct7 h GLU 71 CO -0.04 -0.06 0.47 -0.44 -0.73 0.00 0.00 179.01 178.21 2ct7 h ASP 72 N -0.60 0.64 -0.23 1.04 5.19 -1.95 -2.13 116.42 118.39 2ct7 h ASP 72 Ca -0.01 0.07 0.06 0.00 -0.62 0.00 0.00 57.03 56.52 2ct7 h ASP 72 Cb 0.08 -0.05 -0.07 0.00 0.18 0.00 0.00 39.33 39.47 2ct7 h ASP 72 CO 0.02 0.33 -0.24 0.15 -3.12 0.00 0.00 179.24 176.38 2ct7 h PHE 73 N 0.74 -0.63 -0.39 4.55 3.57 -0.25 -1.94 116.94 122.60 2ct7 h PHE 73 Ca 0.43 0.04 0.08 0.00 3.53 0.00 0.00 57.97 62.05 2ct7 h PHE 73 Cb 0.50 0.31 -0.08 0.00 2.79 0.00 0.00 35.95 39.47 2ct7 h PHE 73 CO -0.07 -0.31 -0.14 0.37 -2.23 0.00 0.00 178.31 175.93 2ct7 h GLN 74 N -0.25 -0.06 -0.86 1.11 4.15 -1.34 0.63 115.11 118.49 2ct7 h GLN 74 Ca 0.13 0.00 0.17 0.00 0.77 0.00 0.00 58.65 59.73 2ct7 h GLN 74 Cb 0.45 0.01 -0.07 0.00 0.21 0.00 0.00 27.48 28.09 2ct7 h GLN 74 CO -0.37 -0.04 0.57 -0.91 -1.93 0.00 0.00 178.83 176.15 2ct7 h ASN 75 N -0.06 0.50 0.64 -0.69 2.35 -1.18 0.27 115.58 117.40 2ct7 h ASN 75 Ca 0.19 0.04 -0.11 0.00 -0.55 0.00 0.00 56.30 55.87 2ct7 h ASN 75 Cb 0.35 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.65 2ct7 h ASN 75 CO -0.44 0.23 -0.53 -0.25 -1.65 0.00 0.00 177.43 174.80 2ct7 h TRP 76 N 0.52 0.00 -0.06 1.19 7.01 -0.20 -2.66 115.95 121.74 2ct7 h TRP 76 Ca 0.44 0.00 -0.06 0.00 2.11 0.00 0.00 58.89 61.38 2ct7 h TRP 76 Cb 0.93 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.99 2ct7 h TRP 76 CO -0.00 0.53 -0.18 0.87 -2.79 0.00 0.00 178.44 176.86 2ct7 h LYS 77 N 0.00 0.24 0.00 2.65 1.79 0.43 0.25 116.57 121.93 2ct7 h LYS 77 Ca -0.01 -0.17 -0.03 0.00 -2.18 0.00 0.00 60.65 58.26 2ct7 h LYS 77 Cb 0.99 0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 31.66 2ct7 h LYS 77 CO 0.07 0.79 -0.15 0.07 -1.08 0.00 0.00 179.45 179.14 2ct7 h ARG 78 N -0.27 0.00 0.00 3.15 0.11 -1.30 0.63 114.38 116.70 2ct7 h ARG 78 Ca -0.00 0.00 -0.12 0.00 0.10 0.00 0.00 59.98 59.95 2ct7 h ARG 78 Cb 0.80 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.86 2ct7 h ARG 78 CO 0.04 0.15 -0.66 0.52 0.10 0.00 0.00 179.97 180.12 2ct7 h MET 79 N 0.00 0.00 0.19 0.08 2.86 -1.44 -3.06 114.93 113.56 2ct7 h MET 79 Ca -0.00 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 2ct7 h MET 79 Cb 0.29 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.96 2ct7 h MET 79 CO 0.02 0.99 -0.09 -0.91 1.06 0.00 0.00 176.91 177.98 2ct7 h ASN 80 N -1.00 -0.21 0.41 1.22 2.35 -0.41 -3.40 115.58 114.53 2ct7 h ASN 80 Ca -0.18 0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.55 2ct7 h ASN 80 Cb 1.15 0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.58 2ct7 h ASN 80 CO -0.11 0.04 -0.20 0.28 -1.65 0.00 0.00 177.43 175.79 2ct7 h SER 81 N -0.64 -0.46 -4.00 5.81 0.02 -0.10 -3.50 113.55 110.67 2ct7 h SER 81 Ca -0.03 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2ct7 h SER 81 Cb 0.19 0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.85 2ct7 h SER 81 CO 0.04 -0.13 0.00 0.61 -1.14 0.00 0.00 176.83 176.22 2ct7 n GLY 82 N 0.16 1.59 0.11 -3.77 0.00 0.10 -4.87 105.19 98.50 2ct7 n GLY 82 Ca -0.07 -1.89 0.11 0.00 0.00 0.00 0.00 46.02 44.17 2ct7 n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2ct7 n PRO 83 N -2.00 0.16 -1.51 1.61 -0.04 -1.25 -4.02 135.00 127.95 2ct7 n PRO 83 Ca 0.00 0.40 -0.47 0.00 -0.04 0.00 0.00 63.50 63.39 2ct7 n PRO 83 Cb 0.00 -1.81 -0.05 0.00 -0.04 0.00 0.00 33.50 31.60 2ct7 n PRO 83 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2ct7 n SER 84 N -2.11 2.64 -3.96 3.54 3.41 -1.26 -1.45 113.62 114.43 2ct7 n SER 84 Ca 0.02 0.31 -0.30 0.00 -0.26 0.00 0.00 58.87 58.64 2ct7 n SER 84 Cb 0.22 -1.40 0.01 0.00 -0.26 0.00 0.00 64.21 62.78 2ct7 n SER 84 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2ct7 n SER 85 N 10.75 -3.41 -0.65 4.04 2.88 -1.26 -5.07 113.62 120.90 2ct7 n SER 85 Ca 0.36 -0.87 0.13 0.00 -1.33 0.00 0.00 58.87 57.17 2ct7 n SER 85 Cb 0.33 -3.54 0.37 0.00 -0.75 0.00 0.00 64.21 60.62 2ct7 n SER 85 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42