#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 6.65 -0.28 1.61 0.15 -1.26 -4.89 113.70 115.67 2ct7 s SER 2 Ca 0.00 -1.93 -0.19 0.00 0.70 0.00 0.00 55.95 54.53 2ct7 s SER 2 Cb 0.00 -2.51 0.11 0.00 -1.71 0.00 0.00 66.02 61.91 2ct7 s SER 2 CO 0.00 -1.26 0.85 -0.44 1.20 0.00 0.00 173.24 173.59 2ct7 s SER 3 N 4.28 -0.69 -0.19 5.45 0.01 -1.26 -5.15 113.70 116.15 2ct7 s SER 3 Ca 0.44 1.16 -0.04 0.00 1.31 0.00 0.00 55.95 58.81 2ct7 s SER 3 Cb -0.01 1.25 0.10 0.00 0.21 0.00 0.00 66.02 67.57 2ct7 s SER 3 CO -0.06 -0.19 0.31 -0.83 0.41 0.00 0.00 173.24 172.89 2ct7 s GLY 4 N 1.14 -0.22 -0.22 3.44 0.00 -1.26 -5.13 107.32 105.07 2ct7 s GLY 4 Ca -0.06 0.86 -0.02 0.00 0.00 0.00 0.00 44.72 45.50 2ct7 s GLY 4 CO -0.13 2.29 -0.09 -0.56 0.00 0.00 0.00 173.10 174.61 2ct7 s SER 5 N 2.47 4.00 0.46 1.64 0.01 -1.26 -5.10 113.70 115.91 2ct7 s SER 5 Ca 0.06 -0.59 -0.23 0.00 1.31 0.00 0.00 55.95 56.49 2ct7 s SER 5 Cb -0.14 -1.65 -0.07 0.00 0.21 0.00 0.00 66.02 64.37 2ct7 s SER 5 CO -0.12 -0.04 1.19 -0.94 0.41 0.00 0.00 173.24 173.73 2ct7 s SER 6 N 1.39 6.14 0.44 2.44 1.04 -1.26 -4.97 113.70 118.93 2ct7 s SER 6 Ca 0.04 2.37 -0.25 0.00 0.48 0.00 0.00 55.95 58.59 2ct7 s SER 6 Cb -0.15 -2.61 -0.08 0.00 0.10 0.00 0.00 66.02 63.29 2ct7 s SER 6 CO -0.06 -0.94 1.36 -0.83 0.98 0.00 0.00 173.24 173.75 2ct7 s GLY 7 N -1.27 2.91 0.57 7.32 0.00 -1.26 -5.00 107.32 110.59 2ct7 s GLY 7 Ca 0.63 1.33 -0.12 0.00 0.00 0.00 0.00 44.72 46.57 2ct7 s GLY 7 CO 0.37 1.92 0.98 0.00 0.00 0.00 0.00 173.10 176.37 2ct7 s ALA 8 N -1.25 3.13 0.18 3.20 0.00 -1.26 -5.09 121.76 120.68 2ct7 s ALA 8 Ca 0.61 -0.06 -0.16 0.00 0.00 0.00 0.00 51.96 52.34 2ct7 s ALA 8 Cb -0.40 -3.02 0.02 0.00 0.00 0.00 0.00 23.12 19.72 2ct7 s ALA 8 CO 0.51 -0.50 0.48 -1.17 0.00 0.00 0.00 175.76 175.08 2ct7 s LEU 9 N -4.78 0.24 0.10 0.00 0.20 -1.26 -5.13 118.68 108.05 2ct7 s LEU 9 Ca 0.55 -0.53 -0.21 0.00 0.69 0.00 0.00 54.13 54.63 2ct7 s LEU 9 Cb -0.11 1.97 -0.12 0.00 -0.43 0.00 0.00 46.19 47.50 2ct7 s LEU 9 CO 0.46 -1.01 0.45 0.49 -0.29 0.00 0.00 176.35 176.45 2ct7 n PHE 10 N -0.31 -0.12 -0.31 5.38 3.72 -1.26 -4.75 117.46 119.80 2ct7 n PHE 10 Ca -0.10 0.67 0.12 0.00 -0.05 0.00 0.00 57.45 58.09 2ct7 n PHE 10 Cb 0.63 -1.34 0.29 0.00 -0.94 0.00 0.00 39.48 38.12 2ct7 n PHE 10 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2ct7 h HIS 11 N 1.04 0.76 -3.75 1.38 3.86 -2.06 -3.34 115.15 113.04 2ct7 h HIS 11 Ca -0.23 0.04 -0.68 0.00 -1.16 0.00 0.00 60.37 58.34 2ct7 h HIS 11 Cb 0.96 -0.20 -0.34 0.00 1.06 0.00 0.00 27.41 28.90 2ct7 h HIS 11 CO 0.31 0.06 -0.73 0.15 0.86 0.00 0.00 177.93 178.57 2ct7 s LYS 12 N -5.89 2.44 -0.27 2.45 -0.14 -1.26 -5.07 119.74 111.99 2ct7 s LYS 12 Ca -0.12 -1.24 0.02 0.00 -1.36 0.00 0.00 55.97 53.27 2ct7 s LYS 12 Cb 0.24 -3.08 0.07 0.00 -1.68 0.00 0.00 37.83 33.39 2ct7 s LYS 12 CO 0.78 -0.57 -0.04 0.21 -0.76 0.00 0.00 175.35 174.97 2ct7 s LYS 13 N 1.23 1.69 0.42 1.68 2.36 -1.26 -5.11 119.74 120.75 2ct7 s LYS 13 Ca -0.05 -1.28 0.00 0.00 -2.55 0.00 0.00 55.97 52.09 2ct7 s LYS 13 Cb -0.19 -2.75 -0.00 0.00 -1.05 0.00 0.00 37.83 33.84 2ct7 s LYS 13 CO -0.03 -0.69 0.01 1.47 1.55 0.00 0.00 175.35 177.66 2ct7 n LEU 14 N 4.53 0.00 -4.69 5.43 -0.00 -1.26 -5.12 117.00 115.89 2ct7 n LEU 14 Ca -0.08 -2.65 -0.37 0.00 -0.00 0.00 0.00 56.01 52.90 2ct7 n LEU 14 Cb 0.43 0.35 0.07 0.00 -0.00 0.00 0.00 43.42 44.27 2ct7 n LEU 14 CO 0.19 -0.38 0.79 1.07 -0.00 0.00 0.00 177.39 179.06 2ct7 n THR 15 N -1.03 4.26 -2.18 1.47 5.66 -1.26 -4.99 114.28 116.21 2ct7 n THR 15 Ca -0.16 -0.46 -0.30 0.00 -3.05 0.00 0.00 64.05 60.07 2ct7 n THR 15 Cb 0.53 -1.36 -0.00 0.00 -1.55 0.00 0.00 70.33 67.95 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 -3.34 3.65 -1.43 1.09 2.02 -1.26 -4.02 118.70 115.41 2ct7 s GLU 16 Ca 0.80 0.65 -0.02 0.00 0.02 0.00 0.00 54.97 56.41 2ct7 s GLU 16 Cb -0.37 -2.17 0.00 0.00 0.10 0.00 0.00 34.13 31.69 2ct7 s GLU 16 CO 0.43 -0.41 0.32 0.41 0.02 0.00 0.00 175.26 176.03 2ct7 n GLY 17 N -2.37 -0.37 2.97 -1.39 0.00 -1.26 -5.00 105.19 97.77 2ct7 n GLY 17 Ca 0.05 -0.04 -0.17 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.02 0.49 -0.59 1.61 1.01 -1.26 -5.05 120.40 113.59 2ct7 s VAL 18 Ca 0.16 -0.25 0.02 0.00 0.00 0.00 0.00 61.98 61.91 2ct7 s VAL 18 Cb -0.07 -0.42 0.40 0.00 0.00 0.00 0.00 36.38 36.29 2ct7 s VAL 18 CO 0.20 0.14 1.49 0.00 0.00 0.00 0.00 175.10 176.93 2ct7 n LEU 19 N 3.00 5.88 -3.94 3.92 -0.00 -1.26 -4.95 117.00 119.66 2ct7 n LEU 19 Ca -0.14 -5.01 -0.30 0.00 -0.00 0.00 0.00 56.01 50.56 2ct7 n LEU 19 Cb 0.57 -0.70 -0.16 0.00 -0.00 0.00 0.00 43.42 43.14 2ct7 n LEU 19 CO 0.25 2.02 -0.42 -0.32 -0.00 0.00 0.00 177.39 178.93 2ct7 s MET 20 N -3.75 1.59 -0.08 1.47 1.75 -1.26 -5.12 119.30 113.89 2ct7 s MET 20 Ca 0.50 -1.04 -0.03 0.00 -1.25 0.00 0.00 55.69 53.88 2ct7 s MET 20 Cb 0.42 -2.60 -0.04 0.00 2.84 0.00 0.00 34.83 35.46 2ct7 s MET 20 CO -0.25 -0.63 0.05 -0.98 -0.65 0.00 0.00 175.02 172.56 2ct7 s ARG 21 N 1.38 3.12 0.15 4.11 1.70 -1.26 -5.01 118.95 123.14 2ct7 s ARG 21 Ca -0.05 -0.34 0.09 0.00 -0.47 0.00 0.00 55.73 54.97 2ct7 s ARG 21 Cb -0.19 -2.91 -0.04 0.00 -0.57 0.00 0.00 34.95 31.24 2ct7 s ARG 21 CO -0.07 0.72 -0.16 -0.51 -1.08 0.00 0.00 175.30 174.20 2ct7 s ASP 22 N -1.03 3.96 0.00 -2.89 1.11 -1.26 -5.11 116.67 111.45 2ct7 s ASP 22 Ca 0.15 -0.62 0.00 0.00 0.18 0.00 0.00 52.55 52.26 2ct7 s ASP 22 Cb -0.12 -0.57 0.00 0.00 1.07 0.00 0.00 42.92 43.30 2ct7 s ASP 22 CO 0.04 0.14 0.00 -0.81 1.18 0.00 0.00 175.17 175.72 2ct7 n PRO 23 N 0.40 0.00 -3.58 8.23 -0.04 -1.26 -4.96 135.00 133.80 2ct7 n PRO 23 Ca -0.13 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.15 2ct7 n PRO 23 Cb 0.54 -0.23 -0.14 0.00 -0.04 0.00 0.00 33.50 33.63 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 0.13 -0.68 0.54 -0.14 -1.26 -5.09 119.74 113.25 2ct7 s LYS 24 Ca 0.00 0.38 -0.26 0.00 -1.36 0.00 0.00 55.97 54.73 2ct7 s LYS 24 Cb 0.00 -0.78 0.04 0.00 -1.68 0.00 0.00 37.83 35.41 2ct7 s LYS 24 CO 0.00 -0.49 1.18 0.12 -0.76 0.00 0.00 175.35 175.40 2ct7 s PHE 25 N 2.32 2.45 -0.16 3.18 5.36 -1.26 -3.92 117.98 125.95 2ct7 s PHE 25 Ca 0.05 -0.04 0.00 0.00 -0.96 0.00 0.00 56.93 55.98 2ct7 s PHE 25 Cb -0.14 -4.51 0.00 0.00 -0.34 0.00 0.00 43.02 38.04 2ct7 s PHE 25 CO -0.09 -1.85 -0.15 -1.17 -1.46 0.00 0.00 175.22 170.49 2ct7 s LEU 26 N 5.16 2.44 0.18 6.12 1.98 -0.54 -5.00 118.68 129.03 2ct7 s LEU 26 Ca 0.34 -0.50 -0.06 0.00 -2.89 0.00 0.00 54.13 51.02 2ct7 s LEU 26 Cb -0.10 -1.56 -0.02 0.00 0.66 0.00 0.00 46.19 45.17 2ct7 s LEU 26 CO 0.17 0.06 0.24 -1.66 -1.89 0.00 0.00 176.35 173.27 2ct7 s TRP 27 N 0.96 0.67 0.17 5.38 1.48 -1.26 -3.38 118.94 122.95 2ct7 s TRP 27 Ca -0.03 -1.00 -0.30 0.00 -1.06 0.00 0.00 56.10 53.72 2ct7 s TRP 27 Cb -0.15 -0.21 -0.07 0.00 -1.16 0.00 0.00 33.47 31.88 2ct7 s TRP 27 CO -0.03 -0.72 0.99 0.00 -4.06 0.00 0.00 176.95 173.14 2ct7 n ALA 29 N 2.30 3.15 0.04 0.00 0.00 -1.26 -2.00 120.51 122.74 2ct7 n ALA 29 Ca 0.01 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2ct7 n ALA 29 Cb 0.48 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.90 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 0.72 0.00 -0.09 0.00 1.13 -1.26 -4.86 117.38 113.02 2ct7 n GLN 30 Ca 0.03 0.00 0.12 0.00 -1.94 0.00 0.00 57.00 55.21 2ct7 n GLN 30 Cb 0.55 -0.14 0.18 0.00 0.11 0.00 0.00 30.24 30.93 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 1.35 -2.17 -0.04 0.00 3.41 -0.85 -4.86 113.62 110.47 2ct7 n SER 32 Ca 0.17 -1.15 -0.08 0.00 -0.26 0.00 0.00 58.87 57.54 2ct7 n SER 32 Cb 0.59 -2.40 -0.06 0.00 -0.26 0.00 0.00 64.21 62.08 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 -2.07 -0.95 -1.14 7.33 3.04 -1.93 -3.48 116.94 117.75 2ct7 h PHE 33 Ca -0.67 0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.32 2ct7 h PHE 33 Cb 1.39 0.43 0.00 0.00 2.56 0.00 0.00 35.95 40.33 2ct7 h PHE 33 CO 0.43 -0.30 0.00 0.41 -2.02 0.00 0.00 178.31 176.83 2ct7 n GLY 34 N -1.23 -1.15 3.57 2.40 0.00 -1.26 -5.04 105.19 102.47 2ct7 n GLY 34 Ca -0.03 -0.55 -0.09 0.00 0.00 0.00 0.00 46.02 45.35 2ct7 n GLY 34 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2ct7 n PHE 35 N -0.01 -2.27 -4.93 1.61 1.16 -1.22 -5.04 117.46 106.76 2ct7 n PHE 35 Ca 0.00 -1.80 -0.33 0.00 -1.87 0.00 0.00 57.45 53.45 2ct7 n PHE 35 Cb 0.00 0.87 -0.15 0.00 -1.61 0.00 0.00 39.48 38.59 2ct7 n PHE 35 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 2ct7 s ILE 36 N -2.17 2.79 -0.14 1.97 -1.09 -1.26 -1.47 121.20 119.83 2ct7 s ILE 36 Ca 0.16 -0.78 0.07 0.00 -2.23 0.00 0.00 60.65 57.86 2ct7 s ILE 36 Cb -0.05 -2.12 -0.13 0.00 -1.58 0.00 0.00 42.46 38.58 2ct7 s ILE 36 CO 0.12 0.55 -0.04 0.00 -1.23 0.00 0.00 174.94 174.34 2ct7 n TYR 37 N 3.13 0.00 -3.91 3.97 4.11 -1.25 -4.95 117.16 118.26 2ct7 n TYR 37 Ca -0.18 0.00 -0.30 0.00 -0.00 0.00 0.00 57.90 57.42 2ct7 n TYR 37 Cb 0.52 -0.61 -0.07 0.00 -0.00 0.00 0.00 39.34 39.18 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 -2.69 -0.85 -4.31 -3.48 1.02 -1.26 -4.89 120.64 104.19 2ct7 n GLU 38 Ca -0.24 0.09 -0.23 0.00 -0.02 0.00 0.00 57.16 56.76 2ct7 n GLU 38 Cb 0.86 -3.34 -0.08 0.00 -0.02 0.00 0.00 31.44 28.86 2ct7 n GLU 38 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 2ct7 s ARG 39 N -6.14 2.18 -0.43 3.49 6.06 -1.26 -5.04 118.95 117.81 2ct7 s ARG 39 Ca 0.39 -1.54 0.04 0.00 -2.50 0.00 0.00 55.73 52.12 2ct7 s ARG 39 Cb -0.23 -2.07 0.59 0.00 0.06 0.00 0.00 34.95 33.31 2ct7 s ARG 39 CO 0.80 0.29 1.79 -0.85 -2.50 0.00 0.00 175.30 174.83 2ct7 n GLU 40 N -0.90 2.24 -3.98 5.12 0.28 -1.26 -4.97 120.64 117.18 2ct7 n GLU 40 Ca -0.05 -3.14 -0.27 0.00 -0.16 0.00 0.00 57.16 53.53 2ct7 n GLU 40 Cb 0.60 -2.10 -0.01 0.00 1.43 0.00 0.00 31.44 31.36 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 -3.37 2.24 -0.00 3.44 -2.07 -1.26 -5.06 119.66 113.58 2ct7 s GLN 41 Ca 0.55 -2.07 0.02 0.00 -1.82 0.00 0.00 55.36 52.03 2ct7 s GLN 41 Cb 0.46 -2.03 -0.03 0.00 -1.09 0.00 0.00 33.01 30.32 2ct7 s GLN 41 CO 0.06 -0.61 0.08 1.28 -1.32 0.00 0.00 175.29 174.78 2ct7 n LEU 42 N -1.73 0.07 -4.45 2.60 4.77 -1.26 -4.81 117.00 112.19 2ct7 n LEU 42 Ca -0.04 -0.34 -0.43 0.00 -0.03 0.00 0.00 56.01 55.17 2ct7 n LEU 42 Cb 0.65 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.65 2ct7 n LEU 42 CO 0.39 0.02 0.08 -0.70 -1.33 0.00 0.00 177.39 175.84 2ct7 s GLU 43 N -1.50 3.04 -0.14 3.23 2.12 -1.26 -3.54 118.70 120.65 2ct7 s GLU 43 Ca 0.00 -0.97 0.01 0.00 0.36 0.00 0.00 54.97 54.37 2ct7 s GLU 43 Cb 0.02 -4.02 -0.00 0.00 0.26 0.00 0.00 34.13 30.38 2ct7 s GLU 43 CO 0.09 -0.92 -0.16 0.00 -0.54 0.00 0.00 175.26 173.73 2ct7 s ALA 44 N 1.99 2.47 -0.04 6.30 0.00 -1.07 -5.00 121.76 126.40 2ct7 s ALA 44 Ca 0.09 -1.00 0.05 0.00 0.00 0.00 0.00 51.96 51.10 2ct7 s ALA 44 Cb -0.19 -1.15 -0.02 0.00 0.00 0.00 0.00 23.12 21.75 2ct7 s ALA 44 CO 0.11 0.09 -0.18 0.99 0.00 0.00 0.00 175.76 176.76 2ct7 s THR 45 N 0.63 2.72 -0.19 0.00 2.01 -1.26 -0.92 115.64 118.63 2ct7 s THR 45 Ca -0.09 -0.85 -0.26 0.00 0.31 0.00 0.00 61.69 60.80 2ct7 s THR 45 Cb -0.16 -2.03 -0.01 0.00 0.01 0.00 0.00 72.50 70.31 2ct7 s THR 45 CO 0.03 0.58 0.87 0.00 -0.69 0.00 0.00 174.62 175.41 2ct7 n PRO 47 N 5.54 0.49 0.00 0.00 -0.04 -1.26 0.22 135.00 139.95 2ct7 n PRO 47 Ca 0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 2ct7 n PRO 47 Cb 0.48 -1.23 0.00 0.00 -0.04 0.00 0.00 33.50 32.71 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 -0.73 0.55 -0.03 0.54 -0.00 -1.26 -4.80 117.38 111.65 2ct7 n GLN 48 Ca 0.05 0.00 0.03 0.00 -0.00 0.00 0.00 57.00 57.08 2ct7 n GLN 48 Cb 0.03 -0.91 0.04 0.00 -0.00 0.00 0.00 30.24 29.39 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 -0.74 -0.65 -3.57 0.00 8.25 0.60 -4.80 115.22 114.32 2ct7 n HIS 50 Ca 0.04 0.19 -0.41 0.00 -0.26 0.00 0.00 57.72 57.28 2ct7 n HIS 50 Cb 0.37 -1.38 -0.11 0.00 1.12 0.00 0.00 29.99 29.99 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 -5.63 2.84 -0.53 -0.41 -0.44 -1.25 -4.69 119.66 109.54 2ct7 s GLN 51 Ca 0.10 -1.09 -0.28 0.00 -2.50 0.00 0.00 55.36 51.60 2ct7 s GLN 51 Cb -0.06 -3.79 0.02 0.00 -1.64 0.00 0.00 33.01 27.54 2ct7 s GLN 51 CO 0.49 -0.72 1.34 0.99 0.50 0.00 0.00 175.29 177.89 2ct7 s THR 52 N 1.58 3.89 0.08 -0.34 2.01 -1.25 -3.15 115.64 118.46 2ct7 s THR 52 Ca 0.03 0.82 0.04 0.00 0.31 0.00 0.00 61.69 62.88 2ct7 s THR 52 Cb -0.19 -4.48 -0.03 0.00 0.01 0.00 0.00 72.50 67.81 2ct7 s THR 52 CO 0.07 -1.12 -0.11 0.72 -0.69 0.00 0.00 174.62 173.49 2ct7 s PHE 53 N 5.56 1.09 0.69 4.92 -0.71 -0.10 -1.18 117.98 128.26 2ct7 s PHE 53 Ca 0.51 -0.56 -0.15 0.00 -1.04 0.00 0.00 56.93 55.69 2ct7 s PHE 53 Cb -0.10 -0.60 0.02 0.00 -1.21 0.00 0.00 43.02 41.13 2ct7 s PHE 53 CO 0.27 0.02 1.18 0.00 -1.34 0.00 0.00 175.22 175.35 2ct7 n VAL 55 N -2.52 0.25 -0.01 0.00 0.24 -1.23 -2.85 118.33 112.20 2ct7 n VAL 55 Ca 0.12 -0.36 -0.01 0.00 -2.04 0.00 0.00 64.34 62.06 2ct7 n VAL 55 Cb 0.51 0.05 -0.00 0.00 -1.47 0.00 0.00 33.84 32.92 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 -2.18 0.09 0.18 7.34 1.74 -1.26 -4.55 116.66 118.02 2ct7 n ARG 56 Ca 0.00 0.26 0.06 0.00 -0.77 0.00 0.00 57.85 57.40 2ct7 n ARG 56 Cb 0.48 -0.89 0.23 0.00 -1.02 0.00 0.00 32.46 31.26 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 -3.34 -5.14 -4.42 0.00 4.01 -1.13 -5.01 118.16 103.12 2ct7 n LYS 58 Ca 0.01 0.60 -0.21 0.00 -0.51 0.00 0.00 58.31 58.20 2ct7 n LYS 58 Cb 0.59 -4.89 -0.10 0.00 -0.51 0.00 0.00 35.03 30.11 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 -5.41 1.54 -0.42 1.97 1.70 -1.26 -4.55 118.95 112.52 2ct7 s ARG 59 Ca 0.19 -1.79 -0.40 0.00 -0.47 0.00 0.00 55.73 53.27 2ct7 s ARG 59 Cb -0.08 -1.06 -0.15 0.00 -0.57 0.00 0.00 34.95 33.09 2ct7 s ARG 59 CO 0.52 -0.01 2.14 0.94 -1.08 0.00 0.00 175.30 177.81 2ct7 n GLN 60 N -0.58 0.56 -0.76 3.89 7.27 -1.26 -1.24 117.38 125.27 2ct7 n GLN 60 Ca -0.05 0.16 -0.32 0.00 0.07 0.00 0.00 57.00 56.85 2ct7 n GLN 60 Cb 0.64 -1.99 0.14 0.00 2.41 0.00 0.00 30.24 31.44 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 8.52 -0.91 -3.73 3.69 -0.00 -0.32 -4.81 117.44 119.88 2ct7 n TRP 61 Ca 0.47 0.27 -0.13 0.00 -0.00 0.00 0.00 57.50 58.11 2ct7 n TRP 61 Cb 0.10 -1.83 -0.08 0.00 -0.00 0.00 0.00 31.31 29.50 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 -3.88 0.79 0.27 5.87 2.56 -1.26 -4.96 118.70 118.09 2ct7 s GLU 62 Ca 0.59 -0.32 -0.04 0.00 0.00 0.00 0.00 54.97 55.21 2ct7 s GLU 62 Cb -0.21 0.35 0.34 0.00 2.00 0.00 0.00 34.13 36.61 2ct7 s GLU 62 CO 0.65 -0.24 1.90 0.93 -0.56 0.00 0.00 175.26 177.94 2ct7 h GLU 63 N 3.41 1.13 -0.45 4.30 5.08 -2.01 -2.47 114.58 123.57 2ct7 h GLU 63 Ca -0.31 -0.11 -0.14 0.00 -1.00 0.00 0.00 59.36 57.80 2ct7 h GLU 63 Cb 1.19 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 30.20 2ct7 h GLU 63 CO 0.43 0.81 -0.26 1.96 -1.00 0.00 0.00 179.01 180.95 2ct7 h GLN 64 N 1.14 0.96 -0.06 2.33 1.08 -2.00 -2.85 115.11 115.71 2ct7 h GLN 64 Ca 0.29 -0.43 0.02 0.00 -1.45 0.00 0.00 58.65 57.08 2ct7 h GLN 64 Cb -0.01 -0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.40 2ct7 h GLN 64 CO -0.05 1.09 0.04 1.25 -0.95 0.00 0.00 178.83 180.22 2ct7 h HIS 65 N 0.82 0.01 -0.74 2.96 2.76 -1.76 -1.53 115.15 117.65 2ct7 h HIS 65 Ca 0.10 0.00 0.14 0.00 -2.20 0.00 0.00 60.37 58.41 2ct7 h HIS 65 Cb 0.83 -0.00 -0.05 0.00 1.55 0.00 0.00 27.41 29.74 2ct7 h HIS 65 CO 0.05 0.00 0.50 0.07 -1.30 0.00 0.00 177.93 177.25 2ct7 h ARG 66 N 0.01 0.42 -0.49 5.26 -0.00 -1.23 0.61 114.38 118.95 2ct7 h ARG 66 Ca 0.03 -0.03 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 2ct7 h ARG 66 Cb 0.10 -0.10 0.00 0.00 -0.00 0.00 0.00 29.97 29.98 2ct7 h ARG 66 CO -0.00 0.28 0.00 0.41 -0.00 0.00 0.00 179.97 180.66 2ct7 n GLY 67 N -1.52 3.11 3.37 0.08 0.00 -0.59 -4.98 105.19 104.66 2ct7 n GLY 67 Ca 0.14 -0.83 -0.16 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.07 1.75 0.53 1.61 0.52 0.21 -5.08 118.95 116.42 2ct7 s ARG 68 Ca 0.45 -1.84 0.08 0.00 -0.52 0.00 0.00 55.73 53.89 2ct7 s ARG 68 Cb 0.31 0.37 0.05 0.00 0.52 0.00 0.00 34.95 36.20 2ct7 s ARG 68 CO 0.18 -0.68 0.56 -1.12 0.02 0.00 0.00 175.30 174.27 2ct7 s SER 69 N -3.28 4.91 0.44 0.23 0.01 -1.26 -4.80 113.70 109.94 2ct7 s SER 69 Ca 0.36 -0.99 0.10 0.00 1.31 0.00 0.00 55.95 56.73 2ct7 s SER 69 Cb 0.02 0.20 0.97 0.00 0.21 0.00 0.00 66.02 67.42 2ct7 s SER 69 CO 0.22 -1.13 2.07 0.00 0.41 0.00 0.00 173.24 174.81 2ct7 h GLU 71 N 0.42 -0.09 -0.89 0.00 4.81 -2.00 -3.13 114.58 113.70 2ct7 h GLU 71 Ca 0.14 0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.48 2ct7 h GLU 71 Cb 0.04 0.02 -0.08 0.00 0.63 0.00 0.00 28.75 29.37 2ct7 h GLU 71 CO -0.03 -0.06 0.52 -0.44 -0.73 0.00 0.00 179.01 178.28 2ct7 h ASP 72 N -0.62 0.76 -0.04 1.04 5.19 -1.95 -2.40 116.42 118.40 2ct7 h ASP 72 Ca -0.01 0.05 0.04 0.00 -0.62 0.00 0.00 57.03 56.49 2ct7 h ASP 72 Cb 0.07 -0.10 -0.05 0.00 0.18 0.00 0.00 39.33 39.42 2ct7 h ASP 72 CO 0.02 0.42 -0.32 0.15 -3.12 0.00 0.00 179.24 176.39 2ct7 h PHE 73 N 0.86 -0.88 -0.36 4.55 3.57 -0.13 -1.93 116.94 122.62 2ct7 h PHE 73 Ca 0.43 0.03 0.08 0.00 3.53 0.00 0.00 57.97 62.04 2ct7 h PHE 73 Cb 0.40 0.39 -0.08 0.00 2.79 0.00 0.00 35.95 39.45 2ct7 h PHE 73 CO -0.04 -0.41 -0.18 0.37 -2.23 0.00 0.00 178.31 175.82 2ct7 h GLN 74 N -0.45 -0.12 -0.85 1.11 4.15 -1.38 0.12 115.11 117.70 2ct7 h GLN 74 Ca 0.07 0.01 0.20 0.00 0.77 0.00 0.00 58.65 59.70 2ct7 h GLN 74 Cb 0.55 0.03 -0.05 0.00 0.21 0.00 0.00 27.48 28.22 2ct7 h GLN 74 CO -0.29 -0.08 0.57 -0.91 -1.93 0.00 0.00 178.83 176.20 2ct7 h ASN 75 N -0.12 0.29 0.89 -0.69 2.35 -1.17 0.38 115.58 117.52 2ct7 h ASN 75 Ca 0.18 0.03 -0.13 0.00 -0.55 0.00 0.00 56.30 55.83 2ct7 h ASN 75 Cb 0.40 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.73 2ct7 h ASN 75 CO -0.44 0.12 -0.64 -0.25 -1.65 0.00 0.00 177.43 174.57 2ct7 h TRP 76 N 0.30 0.00 -0.06 1.19 7.01 -0.04 -2.71 115.95 121.63 2ct7 h TRP 76 Ca 0.43 0.00 -0.05 0.00 2.11 0.00 0.00 58.89 61.38 2ct7 h TRP 76 Cb 1.21 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.27 2ct7 h TRP 76 CO -0.00 0.64 -0.14 0.87 -2.79 0.00 0.00 178.44 177.02 2ct7 h LYS 77 N 0.00 0.21 -0.41 2.65 1.79 0.81 0.13 116.57 121.75 2ct7 h LYS 77 Ca -0.01 -0.14 -0.05 0.00 -2.18 0.00 0.00 60.65 58.27 2ct7 h LYS 77 Cb 1.26 0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 31.91 2ct7 h LYS 77 CO 0.08 0.73 0.03 0.07 -1.08 0.00 0.00 179.45 179.28 2ct7 h ARG 78 N -0.29 0.64 0.07 3.15 0.11 -1.36 0.75 114.38 117.45 2ct7 h ARG 78 Ca 0.00 -0.14 -0.00 0.00 0.10 0.00 0.00 59.98 59.94 2ct7 h ARG 78 Cb 0.73 -0.09 0.00 0.00 1.11 0.00 0.00 29.97 31.72 2ct7 h ARG 78 CO 0.03 0.64 -0.03 0.52 0.10 0.00 0.00 179.97 181.23 2ct7 h MET 79 N 0.61 -0.09 0.29 0.08 2.86 -1.49 -3.40 114.93 113.80 2ct7 h MET 79 Ca 0.13 0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.76 2ct7 h MET 79 Cb 0.34 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.03 2ct7 h MET 79 CO 0.01 0.48 -0.14 -0.91 1.06 0.00 0.00 176.91 177.41 2ct7 h ASN 80 N -0.89 -0.33 -4.06 1.22 2.35 -0.72 -3.45 115.58 109.69 2ct7 h ASN 80 Ca -0.01 0.01 -0.48 0.00 -0.55 0.00 0.00 56.30 55.27 2ct7 h ASN 80 Cb 0.60 0.08 0.01 0.00 0.05 0.00 0.00 38.32 39.07 2ct7 h ASN 80 CO 0.02 -0.02 0.31 -0.55 -1.65 0.00 0.00 177.43 175.53 2ct7 s SER 81 N -4.24 6.60 0.05 5.81 0.15 0.26 -5.05 113.70 117.27 2ct7 s SER 81 Ca -0.06 1.46 0.05 0.00 0.70 0.00 0.00 55.95 58.10 2ct7 s SER 81 Cb 0.01 -2.46 -0.02 0.00 -1.71 0.00 0.00 66.02 61.83 2ct7 s SER 81 CO 0.17 -0.53 -0.14 -0.83 1.20 0.00 0.00 173.24 173.11 2ct7 s GLY 82 N -3.08 0.79 -0.77 9.45 0.00 -1.26 -4.12 107.32 108.33 2ct7 s GLY 82 Ca 0.57 -0.86 -0.25 0.00 0.00 0.00 0.00 44.72 44.18 2ct7 s GLY 82 CO 0.31 -0.85 1.91 2.56 0.00 0.00 0.00 173.10 177.03 2ct7 s PRO 83 N -1.29 2.59 -0.50 2.90 0.04 -1.26 -4.88 135.00 132.60 2ct7 s PRO 83 Ca 0.00 0.13 0.04 0.00 0.04 0.00 0.00 61.00 61.21 2ct7 s PRO 83 Cb -0.08 -4.75 0.16 0.00 0.04 0.00 0.00 34.50 29.87 2ct7 s PRO 83 CO 0.01 -3.08 0.36 -1.12 0.04 0.00 0.00 177.00 173.22 2ct7 s SER 84 N 8.07 2.89 -0.29 6.66 0.01 -1.26 -5.07 113.70 124.71 2ct7 s SER 84 Ca 0.69 -3.17 -0.25 0.00 1.31 0.00 0.00 55.95 54.52 2ct7 s SER 84 Cb -0.09 -0.89 0.16 0.00 0.21 0.00 0.00 66.02 65.41 2ct7 s SER 84 CO 0.09 -0.17 1.27 -0.55 0.41 0.00 0.00 173.24 174.30 2ct7 s SER 85 N -0.28 -0.21 0.00 2.44 0.15 -1.26 -5.32 113.70 109.22 2ct7 s SER 85 Ca 0.27 0.40 0.04 0.00 0.70 0.00 0.00 55.95 57.36 2ct7 s SER 85 Cb -0.05 0.40 0.03 0.00 -1.71 0.00 0.00 66.02 64.69 2ct7 s SER 85 CO -0.14 -0.08 0.61 0.61 1.20 0.00 0.00 173.24 175.44