#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 6.25 -0.01 1.61 0.01 -1.26 -4.91 113.70 115.39 2ct7 s SER 2 Ca 0.00 -1.45 -0.25 0.00 1.31 0.00 0.00 55.95 55.56 2ct7 s SER 2 Cb 0.00 -2.34 -0.19 0.00 0.21 0.00 0.00 66.02 63.71 2ct7 s SER 2 CO 0.00 -1.16 1.22 0.28 0.41 0.00 0.00 173.24 173.98 2ct7 h SER 3 N 9.18 -0.11 0.00 2.44 0.02 -2.13 -3.49 113.55 119.46 2ct7 h SER 3 Ca -0.23 -0.37 0.00 0.00 -0.84 0.00 0.00 61.79 60.35 2ct7 h SER 3 Cb 1.07 0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.64 2ct7 h SER 3 CO 1.11 0.34 0.00 0.61 -1.14 0.00 0.00 176.83 177.74 2ct7 n GLY 4 N 0.10 1.07 3.82 -3.77 0.00 -1.26 -4.98 105.19 100.18 2ct7 n GLY 4 Ca -0.09 -0.08 -0.28 0.00 0.00 0.00 0.00 46.02 45.58 2ct7 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2ct7 n SER 5 N 0.00 -4.50 -4.74 1.61 2.88 -1.26 -4.96 113.62 102.65 2ct7 n SER 5 Ca 0.00 -0.74 -0.35 0.00 -1.33 0.00 0.00 58.87 56.45 2ct7 n SER 5 Cb 0.00 -4.14 -0.08 0.00 -0.75 0.00 0.00 64.21 59.24 2ct7 n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2ct7 s SER 6 N -3.49 5.86 0.50 -3.46 1.04 -1.26 -5.10 113.70 107.79 2ct7 s SER 6 Ca 0.54 0.24 -0.11 0.00 0.48 0.00 0.00 55.95 57.10 2ct7 s SER 6 Cb -0.26 -1.91 -0.05 0.00 0.10 0.00 0.00 66.02 63.89 2ct7 s SER 6 CO 0.81 0.30 0.89 -0.83 0.98 0.00 0.00 173.24 175.38 2ct7 s GLY 7 N -0.36 1.80 0.16 7.32 0.00 -1.26 -5.09 107.32 109.89 2ct7 s GLY 7 Ca 0.10 -0.16 -0.24 0.00 0.00 0.00 0.00 44.72 44.42 2ct7 s GLY 7 CO 0.02 0.07 0.77 0.00 0.00 0.00 0.00 173.10 173.95 2ct7 s ALA 8 N -2.71 -1.55 -0.03 3.20 0.00 -1.26 -5.05 121.76 114.35 2ct7 s ALA 8 Ca 0.53 0.31 0.03 0.00 0.00 0.00 0.00 51.96 52.82 2ct7 s ALA 8 Cb -0.10 0.73 -0.04 0.00 0.00 0.00 0.00 23.12 23.71 2ct7 s ALA 8 CO 0.40 -0.88 0.07 -0.11 0.00 0.00 0.00 175.76 175.23 2ct7 n LEU 9 N -0.39 0.03 -0.07 0.00 0.00 -1.26 -4.75 117.00 110.56 2ct7 n LEU 9 Ca -0.09 -0.11 -0.10 0.00 0.00 0.00 0.00 56.01 55.71 2ct7 n LEU 9 Cb 0.62 0.00 -0.08 0.00 0.00 0.00 0.00 43.42 43.96 2ct7 n LEU 9 CO 0.13 0.01 0.14 -0.26 0.00 0.00 0.00 177.39 177.40 2ct7 h PHE 10 N 0.00 0.00 -1.29 1.96 -1.00 -1.99 -3.09 116.94 111.54 2ct7 h PHE 10 Ca 0.00 0.00 0.37 0.00 2.81 0.00 0.00 57.97 61.15 2ct7 h PHE 10 Cb 0.10 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 39.61 2ct7 h PHE 10 CO 0.00 0.69 1.18 -2.39 -1.61 0.00 0.00 178.31 176.18 2ct7 n HIS 11 N -4.64 0.00 -3.15 -0.55 1.44 -1.26 -3.84 115.22 103.22 2ct7 n HIS 11 Ca -0.09 0.00 0.05 0.00 -2.01 0.00 0.00 57.72 55.67 2ct7 n HIS 11 Cb 0.34 -0.32 -0.01 0.00 0.12 0.00 0.00 29.99 30.12 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 -4.39 0.22 0.81 -1.40 2.20 -1.25 -5.18 119.74 110.76 2ct7 s LYS 12 Ca -0.03 0.30 -0.14 0.00 -0.36 0.00 0.00 55.97 55.74 2ct7 s LYS 12 Cb 0.17 0.16 0.19 0.00 -1.51 0.00 0.00 37.83 36.84 2ct7 s LYS 12 CO 0.58 -0.32 1.11 1.63 -0.36 0.00 0.00 175.35 177.99 2ct7 n LYS 13 N 5.32 -1.06 -1.82 4.03 5.02 -1.17 -4.77 118.16 123.72 2ct7 n LYS 13 Ca 0.01 -1.73 -0.34 0.00 -2.02 0.00 0.00 58.31 54.23 2ct7 n LYS 13 Cb 0.55 -1.13 0.05 0.00 -0.02 0.00 0.00 35.03 34.48 2ct7 n LYS 13 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2ct7 s LEU 14 N 0.00 3.48 0.15 -0.35 1.02 -1.26 -4.94 118.68 116.78 2ct7 s LEU 14 Ca 0.63 2.15 -0.31 0.00 0.02 0.00 0.00 54.13 56.61 2ct7 s LEU 14 Cb -0.02 -4.57 -0.10 0.00 0.02 0.00 0.00 46.19 41.52 2ct7 s LEU 14 CO 0.44 -1.67 1.63 0.28 0.02 0.00 0.00 176.35 177.05 2ct7 s THR 15 N -2.07 2.58 0.44 5.49 -1.32 -1.26 -5.01 115.64 114.49 2ct7 s THR 15 Ca 0.71 0.35 0.06 0.00 -1.21 0.00 0.00 61.69 61.60 2ct7 s THR 15 Cb -0.24 -3.22 -0.04 0.00 -1.51 0.00 0.00 72.50 67.49 2ct7 s THR 15 CO 0.38 0.02 0.18 -1.61 -2.21 0.00 0.00 174.62 171.39 2ct7 s GLU 16 N 1.52 2.21 -1.59 7.08 0.41 -1.26 -4.72 118.70 122.36 2ct7 s GLU 16 Ca 0.72 -1.94 -0.12 0.00 -0.41 0.00 0.00 54.97 53.22 2ct7 s GLU 16 Cb -0.44 -1.93 0.10 0.00 -1.78 0.00 0.00 34.13 30.08 2ct7 s GLU 16 CO 0.32 -0.21 0.68 0.41 -0.49 0.00 0.00 175.26 175.97 2ct7 n GLY 17 N -1.30 -0.38 2.97 -1.39 0.00 -1.26 -4.94 105.19 98.89 2ct7 n GLY 17 Ca -0.03 0.15 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 2ct7 n GLY 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ct7 s VAL 18 N -3.52 1.47 -0.66 1.61 0.11 -1.26 -5.06 120.40 113.09 2ct7 s VAL 18 Ca 0.49 -0.80 0.05 0.00 -2.93 0.00 0.00 61.98 58.79 2ct7 s VAL 18 Cb -0.26 -1.53 0.20 0.00 -1.53 0.00 0.00 36.38 33.26 2ct7 s VAL 18 CO 0.91 0.23 0.58 0.18 -3.33 0.00 0.00 175.10 173.67 2ct7 n LEU 19 N 4.76 3.09 -4.74 2.54 4.32 -1.26 -5.09 117.00 120.61 2ct7 n LEU 19 Ca -0.14 -5.25 -0.30 0.00 -0.02 0.00 0.00 56.01 50.30 2ct7 n LEU 19 Cb 0.48 -0.64 0.13 0.00 -1.62 0.00 0.00 43.42 41.77 2ct7 n LEU 19 CO 0.19 1.88 0.68 0.00 -1.22 0.00 0.00 177.39 178.93 2ct7 s MET 20 N -1.78 1.37 -0.07 3.23 0.23 -1.26 -5.08 119.30 115.94 2ct7 s MET 20 Ca 0.31 0.67 -0.05 0.00 -1.03 0.00 0.00 55.69 55.59 2ct7 s MET 20 Cb 0.04 -1.83 0.03 0.00 -1.53 0.00 0.00 34.83 31.53 2ct7 s MET 20 CO -0.11 -2.13 0.18 0.50 -2.03 0.00 0.00 175.02 171.44 2ct7 s ARG 21 N -5.04 0.18 0.53 3.16 3.52 -1.26 -5.15 118.95 114.90 2ct7 s ARG 21 Ca 0.63 0.33 -0.19 0.00 -0.13 0.00 0.00 55.73 56.36 2ct7 s ARG 21 Cb -0.17 0.00 -0.06 0.00 -1.56 0.00 0.00 34.95 33.16 2ct7 s ARG 21 CO 0.56 -0.08 1.11 -0.51 -0.81 0.00 0.00 175.30 175.57 2ct7 s ASP 22 N 0.54 5.84 0.00 -2.12 1.01 -1.26 -5.03 116.67 115.65 2ct7 s ASP 22 Ca -0.04 2.11 0.00 0.00 0.71 0.00 0.00 52.55 55.33 2ct7 s ASP 22 Cb -0.05 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.30 2ct7 s ASP 22 CO -0.03 -1.13 0.00 -0.81 0.21 0.00 0.00 175.17 173.41 2ct7 n PRO 23 N -1.27 0.00 -3.52 8.23 -0.04 -1.26 -4.94 135.00 132.20 2ct7 n PRO 23 Ca 0.11 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.36 2ct7 n PRO 23 Cb 0.51 -0.23 -0.14 0.00 -0.04 0.00 0.00 33.50 33.60 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 0.17 -0.53 0.54 -0.14 -1.26 -4.99 119.74 113.53 2ct7 s LYS 24 Ca 0.00 0.05 -0.12 0.00 -1.36 0.00 0.00 55.97 54.54 2ct7 s LYS 24 Cb 0.00 -1.32 0.13 0.00 -1.68 0.00 0.00 37.83 34.97 2ct7 s LYS 24 CO 0.00 -0.72 0.44 0.12 -0.76 0.00 0.00 175.35 174.43 2ct7 s PHE 25 N 2.27 3.39 -0.19 3.18 5.36 -1.26 -3.22 117.98 127.50 2ct7 s PHE 25 Ca 0.06 -1.70 -0.07 0.00 -0.96 0.00 0.00 56.93 54.27 2ct7 s PHE 25 Cb -0.16 -3.62 -0.04 0.00 -0.34 0.00 0.00 43.02 38.86 2ct7 s PHE 25 CO -0.15 -1.00 0.04 -0.48 -1.46 0.00 0.00 175.22 172.17 2ct7 s LEU 26 N 1.31 3.63 0.19 6.12 0.05 -0.58 -4.94 118.68 124.48 2ct7 s LEU 26 Ca 0.06 -0.01 -0.09 0.00 0.05 0.00 0.00 54.13 54.14 2ct7 s LEU 26 Cb -0.26 -1.92 -0.01 0.00 -2.05 0.00 0.00 46.19 41.95 2ct7 s LEU 26 CO -0.00 0.14 0.33 -1.66 -0.55 0.00 0.00 176.35 174.61 2ct7 s TRP 27 N 0.56 0.47 0.35 3.48 1.48 -1.26 -1.02 118.94 122.99 2ct7 s TRP 27 Ca 0.02 -0.81 -0.27 0.00 -1.06 0.00 0.00 56.10 53.98 2ct7 s TRP 27 Cb -0.13 -0.04 -0.09 0.00 -1.16 0.00 0.00 33.47 32.05 2ct7 s TRP 27 CO 0.01 -0.79 1.15 0.00 -4.06 0.00 0.00 176.95 173.26 2ct7 n ALA 29 N 0.53 2.76 0.11 0.00 0.00 -1.17 -2.59 120.51 120.15 2ct7 n ALA 29 Ca 0.02 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.20 2ct7 n ALA 29 Cb 0.46 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.87 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 0.26 0.00 0.13 0.00 3.00 -1.26 -4.86 117.38 114.65 2ct7 n GLN 30 Ca 0.05 0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 57.03 2ct7 n GLN 30 Cb 0.54 -0.15 0.16 0.00 0.00 0.00 0.00 30.24 30.79 2ct7 n GLN 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2ct7 n SER 32 N -3.75 -3.28 -3.68 0.00 7.64 -1.07 -5.04 113.62 104.45 2ct7 n SER 32 Ca -0.01 -0.14 -0.10 0.00 1.01 0.00 0.00 58.87 59.64 2ct7 n SER 32 Cb 0.63 -2.02 -0.10 0.00 -1.01 0.00 0.00 64.21 61.71 2ct7 n SER 32 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 2ct7 s PHE 33 N -2.92 -0.70 0.00 1.43 5.36 -1.26 -4.98 117.98 114.91 2ct7 s PHE 33 Ca 0.15 1.44 0.00 0.00 -0.96 0.00 0.00 56.93 57.56 2ct7 s PHE 33 Cb -0.07 0.32 0.00 0.00 -0.34 0.00 0.00 43.02 42.93 2ct7 s PHE 33 CO 0.19 -0.40 0.00 0.41 -1.46 0.00 0.00 175.22 173.96 2ct7 n GLY 34 N 4.54 4.48 2.03 13.12 0.00 -1.26 -3.67 105.19 124.43 2ct7 n GLY 34 Ca -0.20 -0.54 0.01 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.37 -3.63 1.61 1.16 -0.19 -4.86 117.46 111.18 2ct7 n PHE 35 Ca 0.00 -0.40 -0.37 0.00 -1.87 0.00 0.00 57.45 54.81 2ct7 n PHE 35 Cb 0.00 0.19 -0.06 0.00 -1.61 0.00 0.00 39.48 37.99 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 -2.12 5.27 0.00 1.97 -1.09 -1.26 -1.52 121.20 122.45 2ct7 s ILE 36 Ca 0.15 0.54 0.00 0.00 -2.23 0.00 0.00 60.65 59.11 2ct7 s ILE 36 Cb -0.01 -3.59 0.00 0.00 -1.58 0.00 0.00 42.46 37.29 2ct7 s ILE 36 CO 0.00 0.53 0.00 0.00 -1.23 0.00 0.00 174.94 174.24 2ct7 n TYR 37 N 2.44 0.00 -4.13 3.97 4.11 -1.20 -5.00 117.16 117.35 2ct7 n TYR 37 Ca -0.15 0.00 -0.31 0.00 -0.00 0.00 0.00 57.90 57.44 2ct7 n TYR 37 Cb 0.53 0.03 -0.04 0.00 -0.00 0.00 0.00 39.34 39.86 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 -1.83 -2.74 -4.47 -3.48 1.02 -1.26 -4.95 120.64 102.93 2ct7 n GLU 38 Ca 0.00 0.33 -0.23 0.00 -0.02 0.00 0.00 57.16 57.23 2ct7 n GLU 38 Cb 0.12 -4.56 -0.10 0.00 -0.02 0.00 0.00 31.44 26.88 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 -6.85 1.66 -0.02 3.49 6.06 -1.26 -5.05 118.95 116.98 2ct7 s ARG 39 Ca 0.27 -1.81 0.14 0.00 -2.50 0.00 0.00 55.73 51.83 2ct7 s ARG 39 Cb -0.15 -1.53 -0.21 0.00 0.06 0.00 0.00 34.95 33.12 2ct7 s ARG 39 CO 0.93 0.18 0.69 0.39 -2.50 0.00 0.00 175.30 174.98 2ct7 n GLU 40 N -0.65 0.63 -0.63 5.12 1.02 -1.26 -4.95 120.64 119.92 2ct7 n GLU 40 Ca -0.05 0.27 -0.24 0.00 -0.02 0.00 0.00 57.16 57.12 2ct7 n GLU 40 Cb 0.62 -1.79 0.14 0.00 -0.02 0.00 0.00 31.44 30.39 2ct7 n GLU 40 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2ct7 n GLN 41 N -2.99 -1.76 -0.41 3.49 -0.00 -1.26 -4.95 117.38 109.50 2ct7 n GLN 41 Ca -0.15 -0.51 0.06 0.00 -0.00 0.00 0.00 57.00 56.39 2ct7 n GLN 41 Cb 1.00 -1.47 0.10 0.00 -0.00 0.00 0.00 30.24 29.86 2ct7 n GLN 41 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 2ct7 n LEU 42 N -0.72 1.56 -4.09 2.61 4.77 -1.26 -4.88 117.00 114.99 2ct7 n LEU 42 Ca 0.03 -2.47 -0.36 0.00 -0.03 0.00 0.00 56.01 53.18 2ct7 n LEU 42 Cb 0.46 -0.27 -0.10 0.00 -2.33 0.00 0.00 43.42 41.18 2ct7 n LEU 42 CO 0.34 0.65 -0.02 -1.61 -1.33 0.00 0.00 177.39 175.41 2ct7 s GLU 43 N -1.79 2.39 -0.01 3.23 0.41 -1.26 -4.54 118.70 117.13 2ct7 s GLU 43 Ca 0.23 -2.38 0.05 0.00 -0.41 0.00 0.00 54.97 52.47 2ct7 s GLU 43 Cb 0.22 -3.67 -0.03 0.00 -1.78 0.00 0.00 34.13 28.87 2ct7 s GLU 43 CO -0.01 -1.15 -0.16 0.00 -0.49 0.00 0.00 175.26 173.46 2ct7 s ALA 44 N 0.19 2.63 -0.14 5.21 0.00 -1.24 -5.03 121.76 123.38 2ct7 s ALA 44 Ca 0.15 -1.07 0.01 0.00 0.00 0.00 0.00 51.96 51.05 2ct7 s ALA 44 Cb -0.21 -0.87 0.02 0.00 0.00 0.00 0.00 23.12 22.06 2ct7 s ALA 44 CO -0.03 0.57 -0.15 0.99 0.00 0.00 0.00 175.76 177.13 2ct7 s THR 45 N -0.81 1.58 0.28 0.00 2.01 -1.26 -1.95 115.64 115.49 2ct7 s THR 45 Ca 0.13 -0.65 -0.29 0.00 0.31 0.00 0.00 61.69 61.19 2ct7 s THR 45 Cb -0.11 -1.47 -0.10 0.00 0.01 0.00 0.00 72.50 70.83 2ct7 s THR 45 CO 0.03 0.46 1.34 0.00 -0.69 0.00 0.00 174.62 175.76 2ct7 n PRO 47 N 1.66 0.21 -0.06 0.00 -0.04 -1.26 0.85 135.00 136.36 2ct7 n PRO 47 Ca 0.03 0.44 -0.09 0.00 -0.04 0.00 0.00 63.50 63.84 2ct7 n PRO 47 Cb 0.42 -1.90 -0.05 0.00 -0.04 0.00 0.00 33.50 31.93 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 -2.29 0.29 0.03 0.54 10.64 -1.26 -4.68 117.38 120.64 2ct7 n GLN 48 Ca 0.02 0.07 -0.10 0.00 -1.83 0.00 0.00 57.00 55.16 2ct7 n GLN 48 Cb 0.23 -1.20 -0.13 0.00 -0.86 0.00 0.00 30.24 28.28 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 -3.25 -0.59 -4.40 0.00 8.25 0.25 -4.91 115.22 110.57 2ct7 n HIS 50 Ca -0.11 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.02 2ct7 n HIS 50 Cb 1.01 -3.51 -0.10 0.00 1.12 0.00 0.00 29.99 28.51 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 -4.34 2.70 -0.49 -0.41 2.00 -1.26 -4.79 119.66 113.07 2ct7 s GLN 51 Ca 0.00 -0.63 -0.28 0.00 -2.00 0.00 0.00 55.36 52.44 2ct7 s GLN 51 Cb 0.00 -2.60 0.02 0.00 0.80 0.00 0.00 33.01 31.22 2ct7 s GLN 51 CO 0.00 0.63 1.36 0.99 -0.50 0.00 0.00 175.29 177.77 2ct7 s THR 52 N -1.00 3.91 0.04 -0.34 2.01 -1.26 -3.34 115.64 115.66 2ct7 s THR 52 Ca 0.17 0.86 0.07 0.00 0.31 0.00 0.00 61.69 63.11 2ct7 s THR 52 Cb -0.11 -4.39 -0.03 0.00 0.01 0.00 0.00 72.50 67.99 2ct7 s THR 52 CO 0.07 -0.99 -0.20 0.72 -0.69 0.00 0.00 174.62 173.53 2ct7 s PHE 53 N 5.53 1.75 0.70 4.92 -0.71 -0.82 -1.07 117.98 128.28 2ct7 s PHE 53 Ca 0.55 -0.37 -0.16 0.00 -1.04 0.00 0.00 56.93 55.90 2ct7 s PHE 53 Cb -0.11 -1.04 0.01 0.00 -1.21 0.00 0.00 43.02 40.66 2ct7 s PHE 53 CO 0.29 0.09 1.07 0.00 -1.34 0.00 0.00 175.22 175.33 2ct7 n VAL 55 N -2.39 0.63 0.00 0.00 0.24 -1.26 -2.96 118.33 112.59 2ct7 n VAL 55 Ca 0.14 -0.60 0.00 0.00 -2.04 0.00 0.00 64.34 61.84 2ct7 n VAL 55 Cb 0.49 -0.34 0.00 0.00 -1.47 0.00 0.00 33.84 32.52 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 -2.60 0.00 0.18 7.34 1.74 -1.26 -4.44 116.66 117.61 2ct7 n ARG 56 Ca -0.06 0.34 0.04 0.00 -0.77 0.00 0.00 57.85 57.40 2ct7 n ARG 56 Cb 0.68 -0.83 0.32 0.00 -1.02 0.00 0.00 32.46 31.61 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 -3.65 -4.12 -4.39 0.00 4.76 -1.15 -4.89 118.16 104.72 2ct7 n LYS 58 Ca -0.01 0.49 -0.19 0.00 -2.87 0.00 0.00 58.31 55.73 2ct7 n LYS 58 Cb 0.51 -4.46 -0.10 0.00 -1.84 0.00 0.00 35.03 29.14 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 -5.12 1.48 -0.37 1.97 1.70 -1.26 -3.04 118.95 114.31 2ct7 s ARG 59 Ca 0.12 -1.78 -0.38 0.00 -0.47 0.00 0.00 55.73 53.21 2ct7 s ARG 59 Cb -0.05 -0.76 -0.14 0.00 -0.57 0.00 0.00 34.95 33.42 2ct7 s ARG 59 CO 0.42 -0.12 2.09 0.94 -1.08 0.00 0.00 175.30 177.55 2ct7 n GLN 60 N -0.54 0.82 -1.67 3.89 7.27 -1.26 -1.01 117.38 124.88 2ct7 n GLN 60 Ca -0.04 0.24 -0.46 0.00 0.07 0.00 0.00 57.00 56.82 2ct7 n GLN 60 Cb 0.65 -2.15 -0.04 0.00 2.41 0.00 0.00 30.24 31.11 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 8.35 2.23 -5.08 3.69 -0.00 -0.23 -4.79 117.44 121.60 2ct7 n TRP 61 Ca 0.42 0.33 -0.29 0.00 -0.00 0.00 0.00 57.50 57.95 2ct7 n TRP 61 Cb 0.14 -2.51 -0.16 0.00 -0.00 0.00 0.00 31.31 28.77 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 0.48 2.35 0.14 5.87 2.56 -1.26 -4.94 118.70 123.90 2ct7 s GLU 62 Ca 0.76 -0.77 -0.27 0.00 0.00 0.00 0.00 54.97 54.68 2ct7 s GLU 62 Cb -0.68 -1.95 -0.06 0.00 2.00 0.00 0.00 34.13 33.44 2ct7 s GLU 62 CO 0.42 0.27 1.47 0.93 -0.56 0.00 0.00 175.26 177.79 2ct7 h GLU 63 N 6.31 -0.03 -1.01 4.30 5.08 -2.01 0.64 114.58 127.87 2ct7 h GLU 63 Ca -0.29 0.00 0.27 0.00 -1.00 0.00 0.00 59.36 58.34 2ct7 h GLU 63 Cb 1.19 0.01 -0.13 0.00 0.50 0.00 0.00 28.75 30.31 2ct7 h GLU 63 CO 0.47 -0.02 0.59 1.96 -1.00 0.00 0.00 179.01 181.02 2ct7 h GLN 64 N -0.03 0.47 -0.58 2.33 1.08 -2.00 0.65 115.11 117.03 2ct7 h GLN 64 Ca 0.13 -0.03 0.07 0.00 -1.45 0.00 0.00 58.65 57.38 2ct7 h GLN 64 Cb 0.37 -0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 27.66 2ct7 h GLN 64 CO -0.79 0.31 0.39 1.25 -0.95 0.00 0.00 178.83 179.03 2ct7 h HIS 65 N 0.48 0.50 -0.90 2.96 2.76 -0.02 -1.15 115.15 119.79 2ct7 h HIS 65 Ca 0.68 0.01 0.19 0.00 -2.20 0.00 0.00 60.37 59.05 2ct7 h HIS 65 Cb 1.40 -0.17 -0.07 0.00 1.55 0.00 0.00 27.41 30.13 2ct7 h HIS 65 CO -0.01 0.26 0.59 0.07 -1.30 0.00 0.00 177.93 177.54 2ct7 h ARG 66 N 0.49 0.44 -0.57 5.26 -0.00 0.75 0.27 114.38 121.02 2ct7 h ARG 66 Ca 0.26 -0.03 0.00 0.00 -0.00 0.00 0.00 59.98 60.21 2ct7 h ARG 66 Cb 0.37 -0.10 0.00 0.00 -0.00 0.00 0.00 29.97 30.24 2ct7 h ARG 66 CO -0.07 0.29 0.00 0.41 -0.00 0.00 0.00 179.97 180.60 2ct7 n GLY 67 N -1.50 2.97 3.44 0.08 0.00 -0.45 -4.97 105.19 104.75 2ct7 n GLY 67 Ca 0.19 -0.86 -0.16 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.09 1.88 0.51 1.61 0.52 0.94 -5.08 118.95 117.24 2ct7 s ARG 68 Ca 0.49 -1.83 0.07 0.00 -0.52 0.00 0.00 55.73 53.94 2ct7 s ARG 68 Cb 0.33 0.41 0.03 0.00 0.52 0.00 0.00 34.95 36.25 2ct7 s ARG 68 CO 0.21 -0.76 0.50 -1.54 0.02 0.00 0.00 175.30 173.73 2ct7 s SER 69 N -3.27 4.93 0.40 0.23 1.04 -1.26 -4.80 113.70 110.96 2ct7 s SER 69 Ca 0.33 -0.95 0.09 0.00 0.48 0.00 0.00 55.95 55.90 2ct7 s SER 69 Cb 0.00 0.04 0.88 0.00 0.10 0.00 0.00 66.02 67.04 2ct7 s SER 69 CO 0.22 -1.01 2.01 0.00 0.98 0.00 0.00 173.24 175.43 2ct7 h GLU 71 N 0.57 -0.07 -1.00 0.00 4.81 -2.01 -3.23 114.58 113.65 2ct7 h GLU 71 Ca 0.24 0.00 0.16 0.00 -0.13 0.00 0.00 59.36 59.63 2ct7 h GLU 71 Cb 0.22 0.01 -0.10 0.00 0.63 0.00 0.00 28.75 29.52 2ct7 h GLU 71 CO -0.07 -0.04 0.62 -0.44 -0.73 0.00 0.00 179.01 178.35 2ct7 h ASP 72 N -0.57 0.85 -0.36 1.04 3.32 -1.95 -1.56 116.42 117.20 2ct7 h ASP 72 Ca -0.01 0.08 0.08 0.00 0.02 0.00 0.00 57.03 57.19 2ct7 h ASP 72 Cb 0.05 -0.08 -0.07 0.00 0.22 0.00 0.00 39.33 39.44 2ct7 h ASP 72 CO 0.01 0.37 -0.13 0.15 -1.72 0.00 0.00 179.24 177.92 2ct7 h PHE 73 N 0.87 -0.30 -0.22 4.55 3.57 -0.17 -1.97 116.94 123.27 2ct7 h PHE 73 Ca 0.54 0.04 0.05 0.00 3.53 0.00 0.00 57.97 62.13 2ct7 h PHE 73 Cb 0.72 0.19 -0.05 0.00 2.79 0.00 0.00 35.95 39.59 2ct7 h PHE 73 CO -0.00 -0.20 -0.13 0.37 -2.23 0.00 0.00 178.31 176.11 2ct7 h GLN 74 N -0.06 -0.12 -0.83 1.11 5.75 -1.29 -0.35 115.11 119.32 2ct7 h GLN 74 Ca 0.18 0.01 0.20 0.00 -0.15 0.00 0.00 58.65 58.89 2ct7 h GLN 74 Cb 0.33 0.03 -0.05 0.00 1.07 0.00 0.00 27.48 28.85 2ct7 h GLN 74 CO -0.40 -0.08 0.57 -0.91 -2.65 0.00 0.00 178.83 175.36 2ct7 h ASN 75 N -0.12 0.27 0.93 -0.69 2.35 -1.23 0.42 115.58 117.51 2ct7 h ASN 75 Ca 0.12 0.02 -0.11 0.00 -0.55 0.00 0.00 56.30 55.78 2ct7 h ASN 75 Cb 0.30 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.63 2ct7 h ASN 75 CO -0.29 0.11 -0.55 -0.25 -1.65 0.00 0.00 177.43 174.81 2ct7 h TRP 76 N 0.27 0.00 -0.05 1.19 7.01 -0.43 -2.83 115.95 121.11 2ct7 h TRP 76 Ca 0.42 0.00 -0.06 0.00 2.11 0.00 0.00 58.89 61.36 2ct7 h TRP 76 Cb 1.22 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.28 2ct7 h TRP 76 CO -0.00 0.55 -0.19 0.87 -2.79 0.00 0.00 178.44 176.87 2ct7 h LYS 77 N 0.00 0.22 0.00 2.65 1.79 0.63 0.21 116.57 122.07 2ct7 h LYS 77 Ca -0.01 -0.17 -0.04 0.00 -2.18 0.00 0.00 60.65 58.26 2ct7 h LYS 77 Cb 1.16 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.84 2ct7 h LYS 77 CO 0.07 0.80 -0.18 0.07 -1.08 0.00 0.00 179.45 179.13 2ct7 h ARG 78 N -0.31 0.00 0.05 3.15 0.11 -1.38 0.59 114.38 116.59 2ct7 h ARG 78 Ca -0.01 0.00 -0.17 0.00 0.10 0.00 0.00 59.98 59.90 2ct7 h ARG 78 Cb 0.83 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.90 2ct7 h ARG 78 CO 0.04 0.18 -0.90 0.52 0.10 0.00 0.00 179.97 179.91 2ct7 h MET 79 N 0.00 0.10 0.10 0.08 2.86 -1.48 -3.05 114.93 113.55 2ct7 h MET 79 Ca -0.00 -0.18 -0.00 0.00 -2.06 0.00 0.00 59.70 57.46 2ct7 h MET 79 Cb 0.36 0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.09 2ct7 h MET 79 CO 0.02 1.08 -0.05 -0.91 1.06 0.00 0.00 176.91 178.12 2ct7 h ASN 80 N -0.72 -0.11 0.81 1.22 2.35 -0.48 -3.39 115.58 115.26 2ct7 h ASN 80 Ca -0.21 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.50 2ct7 h ASN 80 Cb 1.39 0.03 0.01 0.00 0.05 0.00 0.00 38.32 39.80 2ct7 h ASN 80 CO -0.03 0.15 -0.39 -1.28 -1.65 0.00 0.00 177.43 174.23 2ct7 h SER 81 N -0.59 -0.93 0.00 5.81 0.87 -0.02 -3.49 113.55 115.20 2ct7 h SER 81 Ca -0.01 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 2ct7 h SER 81 Cb 0.10 0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.30 2ct7 h SER 81 CO 0.02 -0.65 0.00 0.61 -0.53 0.00 0.00 176.83 176.29 2ct7 n GLY 82 N -1.48 -0.08 3.57 5.77 0.00 -0.61 -4.82 105.19 107.54 2ct7 n GLY 82 Ca -0.15 -1.50 -0.40 0.00 0.00 0.00 0.00 46.02 43.97 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 0.00 2.89 -0.86 1.61 0.04 -1.26 -4.78 135.00 132.64 2ct7 s PRO 83 Ca 0.00 0.85 -0.27 0.00 0.04 0.00 0.00 61.00 61.62 2ct7 s PRO 83 Cb 0.00 -4.31 -0.19 0.00 0.04 0.00 0.00 34.50 30.04 2ct7 s PRO 83 CO 0.00 -2.41 2.33 0.43 0.04 0.00 0.00 177.00 177.40 2ct7 n SER 84 N 11.79 0.26 0.02 6.66 7.64 -1.26 -4.68 113.62 134.06 2ct7 n SER 84 Ca 0.21 0.17 -0.01 0.00 1.01 0.00 0.00 58.87 60.24 2ct7 n SER 84 Cb 0.50 -0.80 -0.00 0.00 -1.01 0.00 0.00 64.21 62.90 2ct7 n SER 84 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2ct7 n SER 85 N 9.06 1.14 0.00 6.43 7.64 -1.26 -5.29 113.62 131.34 2ct7 n SER 85 Ca 0.57 0.16 0.00 0.00 1.01 0.00 0.00 58.87 60.61 2ct7 n SER 85 Cb 0.02 -0.38 0.00 0.00 -1.01 0.00 0.00 64.21 62.84 2ct7 n SER 85 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64