#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 -0.12 0.37 1.61 1.04 -1.26 -5.19 113.70 110.15 2ct7 s SER 2 Ca 0.00 -0.46 -0.16 0.00 0.48 0.00 0.00 55.95 55.81 2ct7 s SER 2 Cb 0.00 0.48 0.05 0.00 0.10 0.00 0.00 66.02 66.65 2ct7 s SER 2 CO 0.00 -0.90 0.78 -0.44 0.98 0.00 0.00 173.24 173.66 2ct7 s SER 3 N -3.05 -0.02 0.18 7.02 0.01 -1.26 -5.19 113.70 111.39 2ct7 s SER 3 Ca 0.15 -1.09 -0.10 0.00 1.31 0.00 0.00 55.95 56.21 2ct7 s SER 3 Cb -0.01 0.84 -0.00 0.00 0.21 0.00 0.00 66.02 67.05 2ct7 s SER 3 CO 0.03 -1.65 0.33 -0.83 0.41 0.00 0.00 173.24 171.53 2ct7 s GLY 4 N -3.05 0.40 -0.14 3.44 0.00 -1.26 -5.18 107.32 101.53 2ct7 s GLY 4 Ca 0.15 -0.79 -0.32 0.00 0.00 0.00 0.00 44.72 43.77 2ct7 s GLY 4 CO 0.11 -0.73 1.08 -0.45 0.00 0.00 0.00 173.10 173.11 2ct7 s SER 5 N -2.96 -0.25 0.35 1.64 0.15 -1.26 -5.19 113.70 106.19 2ct7 s SER 5 Ca 0.16 0.09 -0.15 0.00 0.70 0.00 0.00 55.95 56.75 2ct7 s SER 5 Cb 0.02 0.24 0.04 0.00 -1.71 0.00 0.00 66.02 64.61 2ct7 s SER 5 CO 0.00 -0.35 0.73 -0.44 1.20 0.00 0.00 173.24 174.38 2ct7 s SER 6 N -1.93 0.03 0.00 5.45 0.01 -1.26 -5.19 113.70 110.82 2ct7 s SER 6 Ca 0.06 -1.05 0.00 0.00 1.31 0.00 0.00 55.95 56.26 2ct7 s SER 6 Cb -0.01 0.80 0.00 0.00 0.21 0.00 0.00 66.02 67.02 2ct7 s SER 6 CO -0.05 -1.56 0.00 0.61 0.41 0.00 0.00 173.24 172.65 2ct7 n GLY 7 N -0.51 3.01 3.77 3.44 0.00 -1.26 -5.19 105.19 108.45 2ct7 n GLY 7 Ca -0.06 -0.84 -0.06 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.00 -1.48 -0.34 4.61 0.00 -1.26 -5.13 121.76 116.16 2ct7 s ALA 8 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 51.96 51.76 2ct7 s ALA 8 Cb 0.00 0.73 -0.00 0.00 0.00 0.00 0.00 23.12 23.85 2ct7 s ALA 8 CO 0.00 -1.01 0.64 -1.17 0.00 0.00 0.00 175.76 174.22 2ct7 s LEU 9 N -2.90 4.21 1.11 0.00 1.98 -1.26 -5.05 118.68 116.77 2ct7 s LEU 9 Ca 0.11 0.26 -0.19 0.00 -2.89 0.00 0.00 54.13 51.42 2ct7 s LEU 9 Cb -0.03 -2.80 0.08 0.00 0.66 0.00 0.00 46.19 44.10 2ct7 s LEU 9 CO 0.03 -0.55 -0.08 2.22 -1.89 0.00 0.00 176.35 176.07 2ct7 n PHE 10 N 5.99 -1.43 -0.70 5.38 1.16 -1.26 -4.78 117.46 121.82 2ct7 n PHE 10 Ca -0.01 0.18 -0.07 0.00 -1.87 0.00 0.00 57.45 55.68 2ct7 n PHE 10 Cb 0.49 -1.56 -0.01 0.00 -1.61 0.00 0.00 39.48 36.78 2ct7 n PHE 10 CO 0.00 0.00 0.00 -2.39 -1.87 0.00 0.00 176.76 172.50 2ct7 n HIS 11 N -4.33 0.44 -0.10 2.97 1.44 -1.26 -3.91 115.22 110.47 2ct7 n HIS 11 Ca 0.01 -1.33 -0.14 0.00 -2.01 0.00 0.00 57.72 54.24 2ct7 n HIS 11 Cb 0.63 -0.79 -0.14 0.00 0.12 0.00 0.00 29.99 29.81 2ct7 n HIS 11 CO 0.00 0.00 0.00 1.17 -2.81 0.00 0.00 176.34 174.70 2ct7 n LYS 12 N 1.33 0.67 -3.94 -1.40 4.81 -1.26 -4.96 118.16 113.40 2ct7 n LYS 12 Ca 0.15 0.10 -0.29 0.00 -0.87 0.00 0.00 58.31 57.41 2ct7 n LYS 12 Cb 0.57 -1.56 -0.04 0.00 0.02 0.00 0.00 35.03 34.03 2ct7 n LYS 12 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 2ct7 s LYS 13 N -2.52 3.40 -0.17 1.64 1.02 -1.25 -5.05 119.74 116.80 2ct7 s LYS 13 Ca -0.21 -0.54 -0.17 0.00 0.02 0.00 0.00 55.97 55.07 2ct7 s LYS 13 Cb 0.07 -2.98 -0.06 0.00 -0.52 0.00 0.00 37.83 34.35 2ct7 s LYS 13 CO 0.73 0.56 -0.34 1.28 -0.92 0.00 0.00 175.35 176.67 2ct7 n LEU 14 N -0.10 1.90 -3.50 3.17 4.77 -1.26 -5.05 117.00 116.92 2ct7 n LEU 14 Ca -0.06 0.32 -0.10 0.00 -0.03 0.00 0.00 56.01 56.14 2ct7 n LEU 14 Cb 0.52 -0.73 -0.03 0.00 -2.33 0.00 0.00 43.42 40.86 2ct7 n LEU 14 CO 0.50 -0.28 0.62 0.28 -1.33 0.00 0.00 177.39 177.18 2ct7 s THR 15 N -2.87 0.00 0.66 -5.08 -1.32 -1.26 -5.18 115.64 100.59 2ct7 s THR 15 Ca -0.28 0.00 0.02 0.00 -1.21 0.00 0.00 61.69 60.22 2ct7 s THR 15 Cb 0.04 -1.00 0.10 0.00 -1.51 0.00 0.00 72.50 70.13 2ct7 s THR 15 CO 0.42 0.00 0.91 -1.83 -2.21 0.00 0.00 174.62 171.91 2ct7 s GLU 16 N -2.74 1.96 -1.70 7.08 -1.05 -1.26 -4.47 118.70 116.53 2ct7 s GLU 16 Ca 0.02 -1.17 -0.11 0.00 -0.15 0.00 0.00 54.97 53.55 2ct7 s GLU 16 Cb -0.01 -2.43 0.11 0.00 -0.44 0.00 0.00 34.13 31.36 2ct7 s GLU 16 CO -0.06 -1.19 0.29 0.41 0.95 0.00 0.00 175.26 175.66 2ct7 n GLY 17 N -2.61 -0.25 0.09 -3.83 0.00 -1.26 -4.78 105.19 92.55 2ct7 n GLY 17 Ca 0.14 0.13 -0.01 0.00 0.00 0.00 0.00 46.02 46.28 2ct7 n GLY 17 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2ct7 n VAL 18 N -4.35 0.05 -2.42 1.61 3.14 -1.26 -4.82 118.33 110.27 2ct7 n VAL 18 Ca -0.13 -0.02 -0.15 0.00 -2.96 0.00 0.00 64.34 61.08 2ct7 n VAL 18 Cb 0.59 -0.62 0.03 0.00 -1.06 0.00 0.00 33.84 32.77 2ct7 n VAL 18 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 2ct7 n LEU 19 N -2.57 3.45 -4.19 6.55 4.32 -1.26 -5.07 117.00 118.24 2ct7 n LEU 19 Ca -0.02 -4.17 -0.14 0.00 -0.02 0.00 0.00 56.01 51.66 2ct7 n LEU 19 Cb 0.52 -0.02 -0.08 0.00 -1.62 0.00 0.00 43.42 42.22 2ct7 n LEU 19 CO 0.01 1.73 -0.11 0.00 -1.22 0.00 0.00 177.39 177.80 2ct7 s MET 20 N -3.60 1.49 0.08 3.23 0.23 -1.26 -5.17 119.30 114.30 2ct7 s MET 20 Ca 0.40 -1.72 0.09 0.00 -1.03 0.00 0.00 55.69 53.43 2ct7 s MET 20 Cb 0.39 0.33 -0.04 0.00 -1.53 0.00 0.00 34.83 33.98 2ct7 s MET 20 CO -0.02 -0.54 -0.22 -0.98 -2.03 0.00 0.00 175.02 171.23 2ct7 s ARG 21 N -3.79 1.80 -0.11 3.16 1.70 -1.26 -4.99 118.95 115.46 2ct7 s ARG 21 Ca 0.37 -1.14 -0.08 0.00 -0.47 0.00 0.00 55.73 54.41 2ct7 s ARG 21 Cb 0.04 -2.07 0.04 0.00 -0.57 0.00 0.00 34.95 32.39 2ct7 s ARG 21 CO 0.17 0.50 0.28 0.16 -1.08 0.00 0.00 175.30 175.33 2ct7 s ASP 22 N -1.71 -0.30 0.00 -2.89 1.47 -1.26 -5.12 116.67 106.86 2ct7 s ASP 22 Ca 0.15 0.57 0.00 0.00 1.18 0.00 0.00 52.55 54.45 2ct7 s ASP 22 Cb -0.10 0.53 0.00 0.00 -0.34 0.00 0.00 42.92 43.01 2ct7 s ASP 22 CO 0.06 -0.13 0.03 -0.81 0.68 0.00 0.00 175.17 175.01 2ct7 n PRO 23 N 3.47 0.00 -3.40 2.11 -0.04 -1.26 -4.96 135.00 130.91 2ct7 n PRO 23 Ca -0.18 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.17 2ct7 n PRO 23 Cb 0.56 -0.32 -0.09 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 -0.07 0.31 -0.47 0.54 2.36 -1.26 -5.11 119.74 116.05 2ct7 s LYS 24 Ca 0.00 0.51 -0.28 0.00 -2.55 0.00 0.00 55.97 53.65 2ct7 s LYS 24 Cb 0.00 -0.56 0.00 0.00 -1.05 0.00 0.00 37.83 36.23 2ct7 s LYS 24 CO 0.00 -0.61 1.51 0.12 1.55 0.00 0.00 175.35 177.92 2ct7 s PHE 25 N 2.51 2.20 -0.21 4.03 5.36 -1.26 -4.17 117.98 126.43 2ct7 s PHE 25 Ca 0.10 0.61 -0.02 0.00 -0.96 0.00 0.00 56.93 56.67 2ct7 s PHE 25 Cb -0.15 -4.29 0.01 0.00 -0.34 0.00 0.00 43.02 38.24 2ct7 s PHE 25 CO -0.15 -2.16 -0.11 -1.17 -1.46 0.00 0.00 175.22 170.17 2ct7 s LEU 26 N 6.21 2.61 0.19 6.12 1.98 -0.29 -4.98 118.68 130.52 2ct7 s LEU 26 Ca 0.62 -0.55 -0.07 0.00 -2.89 0.00 0.00 54.13 51.23 2ct7 s LEU 26 Cb -0.14 -1.62 -0.02 0.00 0.66 0.00 0.00 46.19 45.07 2ct7 s LEU 26 CO 0.29 -0.02 0.27 -1.66 -1.89 0.00 0.00 176.35 173.34 2ct7 s TRP 27 N 1.39 0.60 1.36 5.38 1.48 -1.26 -3.21 118.94 124.68 2ct7 s TRP 27 Ca 0.05 -0.94 -0.22 0.00 -1.06 0.00 0.00 56.10 53.93 2ct7 s TRP 27 Cb -0.14 -0.15 0.34 0.00 -1.16 0.00 0.00 33.47 32.36 2ct7 s TRP 27 CO -0.07 -0.74 0.77 0.00 -4.06 0.00 0.00 176.95 172.84 2ct7 n ALA 29 N -5.53 3.42 -0.01 0.00 0.00 -1.26 -3.96 120.51 113.17 2ct7 n ALA 29 Ca -0.17 -0.37 -0.05 0.00 0.00 0.00 0.00 53.44 52.84 2ct7 n ALA 29 Cb 0.53 -0.49 -0.02 0.00 0.00 0.00 0.00 19.45 19.47 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 -1.51 0.16 0.20 0.00 6.02 -1.26 -4.72 117.38 116.27 2ct7 n GLN 30 Ca 0.01 0.07 0.09 0.00 -0.01 0.00 0.00 57.00 57.16 2ct7 n GLN 30 Cb 0.26 -0.78 0.21 0.00 1.02 0.00 0.00 30.24 30.95 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 -3.17 -1.68 -0.03 0.00 3.41 -1.25 -4.85 113.62 106.05 2ct7 n SER 32 Ca 0.03 -1.25 -0.02 0.00 -0.26 0.00 0.00 58.87 57.37 2ct7 n SER 32 Cb 0.56 -1.89 -0.01 0.00 -0.26 0.00 0.00 64.21 62.61 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 -2.16 -0.21 0.00 7.33 3.04 -1.90 -3.46 116.94 119.57 2ct7 h PHE 33 Ca -0.68 0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.28 2ct7 h PHE 33 Cb 1.40 0.10 0.00 0.00 2.56 0.00 0.00 35.95 40.01 2ct7 h PHE 33 CO 0.44 -0.05 0.00 0.41 -2.02 0.00 0.00 178.31 177.09 2ct7 n GLY 34 N -1.04 0.72 3.23 2.40 0.00 -1.26 -5.03 105.19 104.21 2ct7 n GLY 34 Ca -0.00 -0.63 -0.14 0.00 0.00 0.00 0.00 46.02 45.25 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 0.00 -1.39 -4.44 1.61 1.16 -1.20 -5.04 117.46 108.16 2ct7 n PHE 35 Ca 0.00 -2.27 -0.30 0.00 -1.87 0.00 0.00 57.45 53.01 2ct7 n PHE 35 Cb 0.00 0.52 -0.12 0.00 -1.61 0.00 0.00 39.48 38.27 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 -2.81 2.76 0.00 1.97 -1.09 -1.26 -1.13 121.20 119.63 2ct7 s ILE 36 Ca 0.28 -1.42 0.00 0.00 -2.23 0.00 0.00 60.65 57.28 2ct7 s ILE 36 Cb -0.01 -2.23 0.00 0.00 -1.58 0.00 0.00 42.46 38.65 2ct7 s ILE 36 CO 0.20 0.18 0.00 0.00 -1.23 0.00 0.00 174.94 174.09 2ct7 n TYR 37 N 1.07 0.00 -3.91 3.97 4.11 -1.26 -4.95 117.16 116.19 2ct7 n TYR 37 Ca -0.16 0.00 -0.25 0.00 -0.00 0.00 0.00 57.90 57.49 2ct7 n TYR 37 Cb 0.52 0.00 -0.07 0.00 -0.00 0.00 0.00 39.34 39.79 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 -2.30 -0.91 -4.33 -3.48 1.02 -1.26 -4.90 120.64 104.48 2ct7 n GLU 38 Ca 0.00 0.06 -0.30 0.00 -0.02 0.00 0.00 57.16 56.90 2ct7 n GLU 38 Cb 0.45 -2.68 -0.11 0.00 -0.02 0.00 0.00 31.44 29.08 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 -6.43 1.90 -1.38 3.49 3.52 -1.26 -5.04 118.95 113.74 2ct7 s ARG 39 Ca 0.03 -1.12 -0.08 0.00 -0.13 0.00 0.00 55.73 54.43 2ct7 s ARG 39 Cb -0.02 -2.17 0.08 0.00 -1.56 0.00 0.00 34.95 31.29 2ct7 s ARG 39 CO 0.77 0.49 2.37 -0.85 -0.81 0.00 0.00 175.30 177.27 2ct7 n GLU 40 N 0.87 4.05 -3.59 5.12 0.00 -1.26 -4.85 120.64 120.98 2ct7 n GLU 40 Ca -0.15 -3.16 -0.07 0.00 0.00 0.00 0.00 57.16 53.78 2ct7 n GLU 40 Cb 0.53 -2.79 -0.04 0.00 0.00 0.00 0.00 31.44 29.14 2ct7 n GLU 40 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.13 178.27 2ct7 s GLN 41 N 0.22 0.41 -0.20 3.44 -2.07 -1.26 -5.02 119.66 115.17 2ct7 s GLN 41 Ca 0.53 0.00 0.07 0.00 -1.82 0.00 0.00 55.36 54.14 2ct7 s GLN 41 Cb 0.16 0.19 0.49 0.00 -1.09 0.00 0.00 33.01 32.76 2ct7 s GLN 41 CO -0.06 -0.15 1.41 1.28 -1.32 0.00 0.00 175.29 176.45 2ct7 n LEU 42 N 0.38 4.57 -4.12 2.60 4.77 -1.26 -4.71 117.00 119.23 2ct7 n LEU 42 Ca -0.05 -2.36 -0.37 0.00 -0.03 0.00 0.00 56.01 53.19 2ct7 n LEU 42 Cb 0.59 -0.66 -0.08 0.00 -2.33 0.00 0.00 43.42 40.93 2ct7 n LEU 42 CO 0.11 0.63 0.11 -0.70 -1.33 0.00 0.00 177.39 176.21 2ct7 s GLU 43 N -2.13 2.75 0.00 3.23 -6.30 -1.26 -4.45 118.70 110.53 2ct7 s GLU 43 Ca 0.36 -2.61 -0.00 0.00 -2.50 0.00 0.00 54.97 50.21 2ct7 s GLU 43 Cb 0.28 -3.83 -0.04 0.00 0.00 0.00 0.00 34.13 30.55 2ct7 s GLU 43 CO 0.09 -1.20 0.09 0.00 0.02 0.00 0.00 175.26 174.27 2ct7 s ALA 44 N -0.19 3.62 0.00 6.30 0.00 -1.22 -5.01 121.76 125.25 2ct7 s ALA 44 Ca 0.18 -0.87 0.05 0.00 0.00 0.00 0.00 51.96 51.32 2ct7 s ALA 44 Cb -0.18 -1.60 -0.01 0.00 0.00 0.00 0.00 23.12 21.33 2ct7 s ALA 44 CO -0.05 0.70 -0.15 0.99 0.00 0.00 0.00 175.76 177.26 2ct7 s THR 45 N -1.22 1.15 0.03 0.00 2.01 -1.26 -2.16 115.64 114.19 2ct7 s THR 45 Ca 0.24 -0.72 -0.23 0.00 0.31 0.00 0.00 61.69 61.29 2ct7 s THR 45 Cb -0.12 -0.98 -0.06 0.00 0.01 0.00 0.00 72.50 71.36 2ct7 s THR 45 CO 0.15 0.25 0.70 0.00 -0.69 0.00 0.00 174.62 175.03 2ct7 n PRO 47 N 2.72 0.26 0.00 0.00 -0.04 -1.26 0.15 135.00 136.83 2ct7 n PRO 47 Ca -0.04 0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 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 0.00 -0.04 0.00 0.00 175.50 175.46 2ct7 n GLN 48 N -1.24 0.00 0.17 0.54 10.64 -1.26 -4.77 117.38 121.47 2ct7 n GLN 48 Ca 0.08 0.00 0.11 0.00 -1.83 0.00 0.00 57.00 55.36 2ct7 n GLN 48 Cb 0.11 -0.54 0.10 0.00 -0.86 0.00 0.00 30.24 29.05 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 -2.97 -1.79 -4.37 0.00 8.25 0.12 -4.89 115.22 109.58 2ct7 n HIS 50 Ca 0.02 0.51 -0.33 0.00 -0.26 0.00 0.00 57.72 57.66 2ct7 n HIS 50 Cb 0.56 -2.92 -0.10 0.00 1.12 0.00 0.00 29.99 28.65 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 -6.11 2.76 -0.51 -0.41 0.74 -1.26 -4.78 119.66 110.09 2ct7 s GLN 51 Ca 0.44 -0.60 -0.22 0.00 0.05 0.00 0.00 55.36 55.03 2ct7 s GLN 51 Cb -0.23 -2.64 0.04 0.00 1.10 0.00 0.00 33.01 31.28 2ct7 s GLN 51 CO 0.54 0.64 0.79 0.99 -0.55 0.00 0.00 175.29 177.70 2ct7 s THR 52 N -1.01 4.62 0.10 -0.34 2.01 -1.26 -3.08 115.64 116.69 2ct7 s THR 52 Ca 0.17 0.05 0.07 0.00 0.31 0.00 0.00 61.69 62.30 2ct7 s THR 52 Cb -0.11 -4.40 -0.03 0.00 0.01 0.00 0.00 72.50 67.96 2ct7 s THR 52 CO 0.07 -0.91 -0.18 0.72 -0.69 0.00 0.00 174.62 173.63 2ct7 s PHE 53 N 3.33 1.62 0.65 4.92 -0.71 -0.92 -1.42 117.98 125.44 2ct7 s PHE 53 Ca 0.25 -0.44 -0.17 0.00 -1.04 0.00 0.00 56.93 55.52 2ct7 s PHE 53 Cb -0.15 -0.88 -0.01 0.00 -1.21 0.00 0.00 43.02 40.77 2ct7 s PHE 53 CO 0.18 0.17 1.22 0.00 -1.34 0.00 0.00 175.22 175.45 2ct7 n VAL 55 N -2.01 0.01 0.00 0.00 0.24 -1.26 -2.90 118.33 112.41 2ct7 n VAL 55 Ca 0.14 -0.02 0.00 0.00 -2.04 0.00 0.00 64.34 62.42 2ct7 n VAL 55 Cb 0.50 0.36 0.00 0.00 -1.47 0.00 0.00 33.84 33.23 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 -1.53 0.00 0.16 7.34 1.74 -1.26 -4.60 116.66 118.50 2ct7 n ARG 56 Ca 0.05 0.01 0.13 0.00 -0.77 0.00 0.00 57.85 57.27 2ct7 n ARG 56 Cb 0.34 -0.43 0.50 0.00 -1.02 0.00 0.00 32.46 31.86 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 -2.42 -6.63 -4.56 0.00 4.76 -1.14 -5.00 118.16 103.16 2ct7 n LYS 58 Ca 0.02 0.75 -0.26 0.00 -2.87 0.00 0.00 58.31 55.95 2ct7 n LYS 58 Cb 0.28 -5.68 -0.10 0.00 -1.84 0.00 0.00 35.03 27.69 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 -6.12 1.88 -0.16 1.97 1.70 -1.26 -4.58 118.95 112.39 2ct7 s ARG 59 Ca 0.38 -2.09 -0.32 0.00 -0.47 0.00 0.00 55.73 53.23 2ct7 s ARG 59 Cb -0.18 -1.19 -0.09 0.00 -0.57 0.00 0.00 34.95 32.93 2ct7 s ARG 59 CO 0.77 -0.21 2.07 0.94 -1.08 0.00 0.00 175.30 177.78 2ct7 n GLN 60 N -0.90 2.03 -0.72 3.89 7.27 -1.26 -0.76 117.38 126.92 2ct7 n GLN 60 Ca -0.06 0.66 -0.31 0.00 0.07 0.00 0.00 57.00 57.36 2ct7 n GLN 60 Cb 0.67 -2.87 0.16 0.00 2.41 0.00 0.00 30.24 30.61 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 9.04 0.89 -3.68 3.69 -0.00 -0.51 -4.81 117.44 122.06 2ct7 n TRP 61 Ca 0.28 0.40 -0.14 0.00 -0.00 0.00 0.00 57.50 58.04 2ct7 n TRP 61 Cb 0.35 -2.01 -0.09 0.00 -0.00 0.00 0.00 31.31 29.57 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 -4.57 0.66 0.28 5.87 2.56 -1.26 -4.97 118.70 117.27 2ct7 s GLU 62 Ca 0.68 0.61 0.02 0.00 0.00 0.00 0.00 54.97 56.27 2ct7 s GLU 62 Cb -0.24 0.32 0.68 0.00 2.00 0.00 0.00 34.13 36.89 2ct7 s GLU 62 CO 0.57 -0.11 1.68 0.93 -0.56 0.00 0.00 175.26 177.77 2ct7 h GLU 63 N 4.96 0.31 -0.47 4.30 5.08 -2.02 0.49 114.58 127.24 2ct7 h GLU 63 Ca -0.28 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.05 2ct7 h GLU 63 Cb 1.17 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.33 2ct7 h GLU 63 CO 0.21 0.21 0.23 1.96 -1.00 0.00 0.00 179.01 180.62 2ct7 h GLN 64 N 0.32 0.65 -0.68 2.33 1.08 -1.99 -2.10 115.11 114.71 2ct7 h GLN 64 Ca 0.53 -0.07 -0.01 0.00 -1.45 0.00 0.00 58.65 57.66 2ct7 h GLN 64 Cb 1.02 -0.13 -0.03 0.00 -0.05 0.00 0.00 27.48 28.29 2ct7 h GLN 64 CO -0.56 0.50 0.40 1.25 -0.95 0.00 0.00 178.83 179.47 2ct7 h HIS 65 N 0.65 0.90 -0.41 2.96 2.76 -0.34 -2.93 115.15 118.74 2ct7 h HIS 65 Ca 0.17 -0.00 0.07 0.00 -2.20 0.00 0.00 60.37 58.40 2ct7 h HIS 65 Cb 0.06 -0.29 -0.09 0.00 1.55 0.00 0.00 27.41 28.64 2ct7 h HIS 65 CO 0.00 0.61 -0.41 0.00 -1.30 0.00 0.00 177.93 176.84 2ct7 h ARG 66 N 0.94 -0.30 -0.92 5.26 2.47 -1.07 0.38 114.38 121.14 2ct7 h ARG 66 Ca 0.24 0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 58.98 2ct7 h ARG 66 Cb -0.01 0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.37 2ct7 h ARG 66 CO -0.04 -0.20 0.01 0.41 0.56 0.00 0.00 179.97 180.71 2ct7 n GLY 67 N -1.42 1.88 2.23 0.04 0.00 -1.12 -4.85 105.19 101.95 2ct7 n GLY 67 Ca -0.00 -0.20 -0.10 0.00 0.00 0.00 0.00 46.02 45.72 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 0.14 0.46 -4.37 1.61 1.74 0.13 -5.08 116.66 111.28 2ct7 n ARG 68 Ca 0.07 -1.87 -0.29 0.00 -0.77 0.00 0.00 57.85 54.98 2ct7 n ARG 68 Cb 0.48 1.79 -0.06 0.00 -1.02 0.00 0.00 32.46 33.65 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 -2.44 4.33 0.40 0.55 0.01 -1.26 -4.83 113.70 110.46 2ct7 s SER 69 Ca 0.20 -1.41 0.11 0.00 1.31 0.00 0.00 55.95 56.15 2ct7 s SER 69 Cb -0.01 0.27 0.92 0.00 0.21 0.00 0.00 66.02 67.41 2ct7 s SER 69 CO 0.14 -0.86 1.95 0.00 0.41 0.00 0.00 173.24 174.88 2ct7 h GLU 71 N 0.55 -0.02 -1.00 0.00 4.81 -2.01 -3.23 114.58 113.68 2ct7 h GLU 71 Ca 0.33 0.00 0.23 0.00 -0.13 0.00 0.00 59.36 59.79 2ct7 h GLU 71 Cb 0.54 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 29.83 2ct7 h GLU 71 CO -0.11 -0.01 0.63 -0.44 -0.73 0.00 0.00 179.01 178.35 2ct7 h ASP 72 N -0.45 0.53 0.33 1.04 5.19 -1.94 -1.70 116.42 119.42 2ct7 h ASP 72 Ca -0.00 0.08 0.00 0.00 -0.62 0.00 0.00 57.03 56.49 2ct7 h ASP 72 Cb 0.02 -0.01 -0.03 0.00 0.18 0.00 0.00 39.33 39.48 2ct7 h ASP 72 CO 0.00 0.15 -0.44 0.15 -3.12 0.00 0.00 179.24 175.99 2ct7 h PHE 73 N 0.50 -1.21 -0.54 4.55 3.57 -0.22 -2.18 116.94 121.41 2ct7 h PHE 73 Ca 0.56 0.02 0.11 0.00 3.53 0.00 0.00 57.97 62.19 2ct7 h PHE 73 Cb 1.26 0.49 -0.11 0.00 2.79 0.00 0.00 35.95 40.38 2ct7 h PHE 73 CO -0.00 -0.58 -0.20 0.37 -2.23 0.00 0.00 178.31 175.67 2ct7 h GLN 74 N -0.82 -0.07 -0.94 1.11 5.75 -1.33 0.26 115.11 119.08 2ct7 h GLN 74 Ca -0.02 0.00 0.21 0.00 -0.15 0.00 0.00 58.65 58.69 2ct7 h GLN 74 Cb 0.75 0.02 -0.08 0.00 1.07 0.00 0.00 27.48 29.24 2ct7 h GLN 74 CO -0.13 -0.05 0.61 -0.91 -2.65 0.00 0.00 178.83 175.71 2ct7 h ASN 75 N -0.07 0.48 0.83 -0.69 2.35 -1.29 0.43 115.58 117.62 2ct7 h ASN 75 Ca 0.25 0.05 -0.11 0.00 -0.55 0.00 0.00 56.30 55.95 2ct7 h ASN 75 Cb 0.46 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.78 2ct7 h ASN 75 CO -0.59 0.18 -0.52 -0.25 -1.65 0.00 0.00 177.43 174.60 2ct7 h TRP 76 N 0.47 0.00 -0.05 1.19 7.01 0.10 -2.71 115.95 121.97 2ct7 h TRP 76 Ca 0.50 0.00 -0.05 0.00 2.11 0.00 0.00 58.89 61.45 2ct7 h TRP 76 Cb 1.16 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.22 2ct7 h TRP 76 CO -0.00 0.52 -0.15 0.87 -2.79 0.00 0.00 178.44 176.88 2ct7 h LYS 77 N 0.00 0.19 -0.10 2.65 1.79 0.85 0.17 116.57 122.12 2ct7 h LYS 77 Ca -0.01 -0.14 -0.04 0.00 -2.18 0.00 0.00 60.65 58.29 2ct7 h LYS 77 Cb 1.07 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.74 2ct7 h LYS 77 CO 0.07 0.76 -0.13 0.07 -1.08 0.00 0.00 179.45 179.14 2ct7 h ARG 78 N -0.35 0.15 0.02 3.15 0.11 -1.30 0.66 114.38 116.82 2ct7 h ARG 78 Ca -0.01 -0.03 -0.06 0.00 0.10 0.00 0.00 59.98 59.98 2ct7 h ARG 78 Cb 0.78 -0.02 -0.00 0.00 1.11 0.00 0.00 29.97 31.84 2ct7 h ARG 78 CO 0.03 0.29 -0.29 0.52 0.10 0.00 0.00 179.97 180.62 2ct7 h MET 79 N 0.14 0.05 0.10 0.08 2.86 -1.47 -3.40 114.93 113.29 2ct7 h MET 79 Ca 0.03 -0.09 -0.00 0.00 -2.06 0.00 0.00 59.70 57.58 2ct7 h MET 79 Cb 0.33 0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.02 2ct7 h MET 79 CO 0.02 1.04 -0.05 -0.91 1.06 0.00 0.00 176.91 178.07 2ct7 h ASN 80 N -0.89 -0.11 -1.27 1.22 2.35 -0.57 -3.41 115.58 112.91 2ct7 h ASN 80 Ca -0.07 0.00 -0.56 0.00 -0.55 0.00 0.00 56.30 55.13 2ct7 h ASN 80 Cb 1.15 0.03 -0.09 0.00 0.05 0.00 0.00 38.32 39.45 2ct7 h ASN 80 CO 0.00 0.11 1.36 -0.55 -1.65 0.00 0.00 177.43 176.70 2ct7 s SER 81 N -3.94 6.29 0.00 5.81 0.15 0.23 -4.71 113.70 117.53 2ct7 s SER 81 Ca -0.02 -1.19 0.00 0.00 0.70 0.00 0.00 55.95 55.44 2ct7 s SER 81 Cb 0.00 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 2ct7 s SER 81 CO 0.06 -1.70 0.00 0.61 1.20 0.00 0.00 173.24 173.41 2ct7 n GLY 82 N 6.64 0.54 0.00 9.45 0.00 -1.26 -4.33 105.19 116.23 2ct7 n GLY 82 Ca 0.29 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.39 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 -0.01 0.37 -4.24 1.61 -0.04 -1.26 -4.59 135.00 126.85 2ct7 n PRO 83 Ca 0.00 0.06 -0.34 0.00 -0.04 0.00 0.00 63.50 63.18 2ct7 n PRO 83 Cb 0.00 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 31.82 2ct7 n PRO 83 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2ct7 s SER 84 N -2.24 4.00 0.16 3.54 0.15 -1.26 -5.12 113.70 112.94 2ct7 s SER 84 Ca 0.20 -0.41 0.05 0.00 0.70 0.00 0.00 55.95 56.48 2ct7 s SER 84 Cb 0.10 -1.65 -0.04 0.00 -1.71 0.00 0.00 66.02 62.73 2ct7 s SER 84 CO 0.20 0.05 0.14 -0.55 1.20 0.00 0.00 173.24 174.28 2ct7 s SER 85 N 1.06 5.55 0.00 5.45 0.15 -1.26 -4.88 113.70 119.78 2ct7 s SER 85 Ca -0.00 -0.12 0.00 0.00 0.70 0.00 0.00 55.95 56.53 2ct7 s SER 85 Cb -0.15 -1.46 0.00 0.00 -1.71 0.00 0.00 66.02 62.71 2ct7 s SER 85 CO -0.02 0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.10