#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c7h h PRO 2 N 0.00 1.07 -1.12 1.61 0.11 -2.10 -3.42 132.00 128.15 2c7h h PRO 2 Ca 0.00 -0.21 -0.01 0.00 0.11 0.00 0.00 66.00 65.89 2c7h h PRO 2 Cb 0.00 -0.16 -0.22 0.00 0.11 0.00 0.00 31.00 30.72 2c7h h PRO 2 CO 0.00 0.90 -0.41 -1.17 -0.21 0.00 0.00 178.00 177.12 2c7h s LEU 3 N -9.68 -1.49 0.00 2.35 2.96 -1.26 -4.99 118.68 106.57 2c7h s LEU 3 Ca -0.12 0.06 0.00 0.00 -0.22 0.00 0.00 54.13 53.85 2c7h s LEU 3 Cb 0.14 1.88 0.00 0.00 0.50 0.00 0.00 46.19 48.71 2c7h s LEU 3 CO 0.83 -0.31 0.67 0.61 -1.32 0.00 0.00 176.35 176.83 2c7h n GLY 4 N 5.38 -0.81 2.62 7.98 0.00 -1.26 -5.06 105.19 114.04 2c7h n GLY 4 Ca 0.04 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.03 2c7h n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2c7h n SER 5 N -0.18 -7.26 -4.64 1.61 7.64 -1.26 -4.89 113.62 104.65 2c7h n SER 5 Ca 0.00 0.89 -0.43 0.00 1.01 0.00 0.00 58.87 60.35 2c7h n SER 5 Cb 0.40 -4.83 -0.03 0.00 -1.01 0.00 0.00 64.21 58.74 2c7h n SER 5 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 2c7h s MET 6 N -1.89 3.81 -0.01 1.43 -1.94 -1.26 -4.86 119.30 114.58 2c7h s MET 6 Ca 0.10 2.00 -0.19 0.00 -1.71 0.00 0.00 55.69 55.89 2c7h s MET 6 Cb -0.03 -4.11 -0.05 0.00 2.01 0.00 0.00 34.83 32.65 2c7h s MET 6 CO 0.68 -1.29 0.55 -1.12 -0.01 0.00 0.00 175.02 173.83 2c7h s SER 7 N 4.82 6.93 -0.03 3.03 0.01 -1.22 -4.98 113.70 122.26 2c7h s SER 7 Ca 0.80 1.10 -0.06 0.00 1.31 0.00 0.00 55.95 59.11 2c7h s SER 7 Cb -0.31 -2.34 0.01 0.00 0.21 0.00 0.00 66.02 63.59 2c7h s SER 7 CO 0.33 0.14 0.14 0.00 0.41 0.00 0.00 173.24 174.25 2c7h s VAL 9 N -0.58 4.49 -0.60 0.00 1.01 -0.71 -4.42 120.40 119.59 2c7h s VAL 9 Ca -0.07 -0.15 -0.26 0.00 0.00 0.00 0.00 61.98 61.50 2c7h s VAL 9 Cb -0.04 -2.98 0.04 0.00 0.00 0.00 0.00 36.38 33.39 2c7h s VAL 9 CO 0.01 0.51 1.10 -1.00 0.00 0.00 0.00 175.10 175.71 2c7h s HIS 10 N 0.05 2.63 -0.00 5.22 3.76 -1.24 -2.23 115.29 123.48 2c7h s HIS 10 Ca 0.04 0.13 0.08 0.00 -0.15 0.00 0.00 55.06 55.15 2c7h s HIS 10 Cb -0.13 -4.36 -0.02 0.00 1.11 0.00 0.00 32.58 29.18 2c7h s HIS 10 CO 0.01 -1.58 -0.25 1.52 -0.85 0.00 0.00 174.74 173.59 2c7h s TYR 11 N 4.65 2.25 -0.11 1.40 1.13 -0.40 -1.62 117.35 124.64 2c7h s TYR 11 Ca 0.36 -0.42 0.02 0.00 -1.41 0.00 0.00 57.07 55.62 2c7h s TYR 11 Cb -0.10 -1.42 0.01 0.00 -1.10 0.00 0.00 41.96 39.36 2c7h s TYR 11 CO 0.21 0.01 -0.16 -1.59 -2.51 0.00 0.00 175.55 171.50 2c7h s LYS 12 N -0.77 2.33 0.45 -3.49 -2.85 -0.46 0.21 119.74 115.16 2c7h s LYS 12 Ca 0.10 -0.61 -0.08 0.00 -1.00 0.00 0.00 55.97 54.38 2c7h s LYS 12 Cb -0.10 -1.94 -0.05 0.00 -2.06 0.00 0.00 37.83 33.68 2c7h s LYS 12 CO -0.00 -0.03 0.79 0.12 0.10 0.00 0.00 175.35 176.33 2c7h s PHE 13 N 0.89 3.52 0.59 1.78 2.19 -1.26 -0.35 117.98 125.34 2c7h s PHE 13 Ca -0.08 0.97 0.30 0.00 0.33 0.00 0.00 56.93 58.45 2c7h s PHE 13 Cb -0.15 -2.40 1.85 0.00 -1.31 0.00 0.00 43.02 41.01 2c7h s PHE 13 CO -0.00 -0.21 2.26 0.77 1.83 0.00 0.00 175.22 179.87 2c7h h SER 14 N 0.74 0.00 0.10 6.13 0.02 -1.92 0.54 113.55 119.16 2c7h h SER 14 Ca -0.47 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 2c7h h SER 14 Cb 1.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.73 2c7h h SER 14 CO 0.63 0.00 -0.36 -0.24 -1.14 0.00 0.00 176.83 175.72 2c7h n SER 15 N -3.82 1.55 -0.02 3.07 2.88 -1.26 -4.21 113.62 111.81 2c7h n SER 15 Ca -0.03 -1.22 -0.22 0.00 -1.33 0.00 0.00 58.87 56.07 2c7h n SER 15 Cb 0.08 0.30 -0.13 0.00 -0.75 0.00 0.00 64.21 63.71 2c7h n SER 15 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2c7h h LYS 16 N 1.87 0.20 0.00 -1.46 1.79 -1.27 -3.48 116.57 114.21 2c7h h LYS 16 Ca 0.00 -0.34 0.00 0.00 -2.18 0.00 0.00 60.65 58.13 2c7h h LYS 16 Cb 0.63 0.13 0.00 0.00 -1.58 0.00 0.00 32.23 31.41 2c7h h LYS 16 CO 0.00 1.16 0.00 1.28 -1.08 0.00 0.00 179.45 180.81 2c7h n LEU 17 N -3.82 0.00 -4.99 2.94 7.99 -0.88 -4.82 117.00 113.43 2c7h n LEU 17 Ca -0.31 0.00 -0.18 0.00 -0.01 0.00 0.00 56.01 55.52 2c7h n LEU 17 Cb 0.93 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 44.24 2c7h n LEU 17 CO 0.37 0.00 0.12 0.20 -1.51 0.00 0.00 177.39 176.56 2c7h s ASN 18 N 0.00 5.61 0.27 -1.43 0.02 -1.26 -4.97 114.94 113.18 2c7h s ASN 18 Ca 0.00 -0.44 -0.22 0.00 -1.02 0.00 0.00 52.86 51.18 2c7h s ASN 18 Cb 0.00 -0.71 -0.09 0.00 0.02 0.00 0.00 41.25 40.47 2c7h s ASN 18 CO 0.00 -0.71 0.82 -0.31 0.02 0.00 0.00 177.10 176.92 2c7h s TYR 19 N -2.35 3.64 0.52 2.20 1.51 -1.26 -4.50 117.35 117.11 2c7h s TYR 19 Ca 0.53 1.54 0.04 0.00 -1.01 0.00 0.00 57.07 58.16 2c7h s TYR 19 Cb -0.09 -2.74 0.01 0.00 -0.11 0.00 0.00 41.96 39.04 2c7h s TYR 19 CO 0.32 0.26 0.24 0.34 -1.11 0.00 0.00 175.55 175.60 2c7h s ASP 20 N -1.69 4.43 -0.04 2.29 -1.08 0.13 -4.90 116.67 115.82 2c7h s ASP 20 Ca 0.47 -1.39 -0.01 0.00 -0.52 0.00 0.00 52.55 51.10 2c7h s ASP 20 Cb -0.17 0.40 0.03 0.00 -1.46 0.00 0.00 42.92 41.72 2c7h s ASP 20 CO 0.21 -0.98 0.05 0.42 0.52 0.00 0.00 175.17 175.40 2c7h s THR 21 N -2.80 -0.06 -0.27 1.71 -4.23 -1.26 -1.28 115.64 107.45 2c7h s THR 21 Ca 0.24 0.35 -0.10 0.00 -1.18 0.00 0.00 61.69 61.00 2c7h s THR 21 Cb -0.00 -0.16 -0.04 0.00 1.34 0.00 0.00 72.50 73.64 2c7h s THR 21 CO 0.14 0.16 0.15 0.54 -0.54 0.00 0.00 174.62 175.07 2c7h s VAL 22 N 1.83 4.93 0.01 2.29 0.11 -0.95 -4.88 120.40 123.74 2c7h s VAL 22 Ca 0.01 0.01 -0.22 0.00 -2.93 0.00 0.00 61.98 58.85 2c7h s VAL 22 Cb -0.12 -3.35 -0.05 0.00 -1.53 0.00 0.00 36.38 31.33 2c7h s VAL 22 CO -0.03 0.27 0.65 0.42 -3.33 0.00 0.00 175.10 173.07 2c7h s THR 23 N 1.70 4.87 0.30 5.04 -4.23 -1.26 -1.74 115.64 120.32 2c7h s THR 23 Ca 0.07 1.36 -0.01 0.00 -1.18 0.00 0.00 61.69 61.93 2c7h s THR 23 Cb -0.16 -3.99 -0.02 0.00 1.34 0.00 0.00 72.50 69.68 2c7h s THR 23 CO 0.08 0.39 0.36 0.72 -0.54 0.00 0.00 174.62 175.63 2c7h s PHE 24 N -0.09 1.18 -0.17 3.99 -0.71 0.26 -4.98 117.98 117.46 2c7h s PHE 24 Ca 0.33 -1.34 -0.07 0.00 -1.04 0.00 0.00 56.93 54.81 2c7h s PHE 24 Cb -0.19 -0.31 -0.04 0.00 -1.21 0.00 0.00 43.02 41.27 2c7h s PHE 24 CO 0.19 -0.95 0.06 0.34 -1.34 0.00 0.00 175.22 173.51 2c7h s ASP 25 N -3.23 5.62 0.00 1.98 2.15 -1.26 -3.41 116.67 118.51 2c7h s ASP 25 Ca 0.34 0.10 0.00 0.00 0.43 0.00 0.00 52.55 53.42 2c7h s ASP 25 Cb 0.02 -1.93 0.00 0.00 -0.30 0.00 0.00 42.92 40.71 2c7h s ASP 25 CO 0.19 0.20 0.00 0.61 -0.17 0.00 0.00 175.17 176.00 2c7h n GLY 26 N 3.35 0.67 0.08 2.66 0.00 -1.26 -4.72 105.19 105.97 2c7h n GLY 26 Ca -0.17 -2.22 -0.10 0.00 0.00 0.00 0.00 46.02 43.53 2c7h n GLY 26 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2c7h h LEU 27 N 0.00 0.11 -8.32 0.99 6.46 -1.96 -3.42 115.31 109.17 2c7h h LEU 27 Ca 0.00 -0.15 -0.21 0.00 -0.12 0.00 0.00 57.88 57.40 2c7h h LEU 27 Cb 0.00 -0.04 -0.17 0.00 -0.73 0.00 0.00 40.66 39.73 2c7h h LEU 27 CO 0.00 1.12 -0.70 -1.38 -0.62 0.00 0.00 178.44 176.86 2c7h s HIS 28 N -2.66 0.73 -0.05 1.25 -3.43 -1.26 -0.97 115.29 108.91 2c7h s HIS 28 Ca -0.03 -0.84 0.03 0.00 -0.80 0.00 0.00 55.06 53.42 2c7h s HIS 28 Cb 0.09 -0.45 0.01 0.00 -1.43 0.00 0.00 32.58 30.80 2c7h s HIS 28 CO 0.83 -0.18 -0.12 -1.50 -2.00 0.00 0.00 174.74 171.76 2c7h s ILE 29 N -3.09 1.11 0.52 -5.38 2.07 -0.08 -4.91 121.20 111.43 2c7h s ILE 29 Ca 0.05 -0.50 -0.23 0.00 -1.41 0.00 0.00 60.65 58.57 2c7h s ILE 29 Cb 0.02 -0.99 -0.06 0.00 0.13 0.00 0.00 42.46 41.56 2c7h s ILE 29 CO -0.05 0.34 1.37 -0.44 -1.91 0.00 0.00 174.94 174.26 2c7h s SER 30 N 0.42 5.43 0.22 4.50 0.01 -1.26 0.14 113.70 123.17 2c7h s SER 30 Ca -0.10 2.80 -0.09 0.00 1.31 0.00 0.00 55.95 59.87 2c7h s SER 30 Cb -0.13 -2.64 0.24 0.00 0.21 0.00 0.00 66.02 63.70 2c7h s SER 30 CO 0.03 -1.46 1.84 0.25 0.41 0.00 0.00 173.24 174.30 2c7h h LEU 31 N 1.68 0.70 -0.47 2.44 5.85 0.59 0.26 115.31 126.36 2c7h h LEU 31 Ca -0.51 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.24 2c7h h LEU 31 Cb 1.29 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 42.16 2c7h h LEU 31 CO 0.58 0.47 0.29 0.00 -0.34 0.00 0.00 178.44 179.44 2c7h h ASP 33 N 0.58 0.14 -0.35 0.00 3.32 -1.62 -1.41 116.42 117.07 2c7h h ASP 33 Ca 0.18 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 57.10 2c7h h ASP 33 Cb -0.01 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 2c7h h ASP 33 CO -0.07 0.24 0.23 0.25 -1.72 0.00 0.00 179.24 178.16 2c7h h LEU 34 N 0.03 0.40 -0.37 1.55 6.46 -0.09 0.59 115.31 123.88 2c7h h LEU 34 Ca 0.03 -0.02 -0.05 0.00 -0.12 0.00 0.00 57.88 57.73 2c7h h LEU 34 Cb 0.14 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 39.95 2c7h h LEU 34 CO -0.00 0.30 0.04 0.11 -0.62 0.00 0.00 178.44 178.27 2c7h h LYS 35 N 0.47 0.62 -0.31 1.25 1.57 -0.66 -1.72 116.57 117.79 2c7h h LYS 35 Ca 0.13 -0.18 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 2c7h h LYS 35 Cb -0.05 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 2c7h h LYS 35 CO -0.03 0.70 0.10 0.87 -0.57 0.00 0.00 179.45 180.52 2c7h h LYS 36 N 0.46 0.43 -0.01 3.15 6.56 -0.82 0.26 116.57 126.60 2c7h h LYS 36 Ca 0.11 -0.06 -0.00 0.00 -1.06 0.00 0.00 60.65 59.64 2c7h h LYS 36 Cb 0.39 -0.08 -0.00 0.00 -0.57 0.00 0.00 32.23 31.97 2c7h h LYS 36 CO 0.01 0.39 0.00 1.96 -2.06 0.00 0.00 179.45 179.75 2c7h h GLN 37 N 0.43 0.02 -0.03 3.15 1.08 -0.38 -1.85 115.11 117.53 2c7h h GLN 37 Ca 0.11 -0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.30 2c7h h GLN 37 Cb 0.13 -0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.56 2c7h h GLN 37 CO -0.01 0.20 -0.01 0.82 -0.95 0.00 0.00 178.83 178.89 2c7h h ILE 38 N -0.17 1.29 -0.46 2.54 2.04 -0.69 -1.65 117.51 120.43 2c7h h ILE 38 Ca 0.00 -0.89 -0.01 0.00 1.00 0.00 0.00 64.86 64.96 2c7h h ILE 38 Cb 0.19 1.84 -0.02 0.00 -0.74 0.00 0.00 36.82 38.08 2c7h h ILE 38 CO -0.00 0.24 0.25 0.24 0.00 0.00 0.00 178.15 178.88 2c7h h MET 39 N -0.30 0.64 -0.03 2.37 2.86 -0.55 0.11 114.93 120.03 2c7h h MET 39 Ca 0.01 -0.08 -0.15 0.00 -2.06 0.00 0.00 59.70 57.42 2c7h h MET 39 Cb 0.39 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.91 2c7h h MET 39 CO 0.00 0.51 -0.66 0.78 1.06 0.00 0.00 176.91 178.60 2c7h h GLY 40 N 0.60 0.16 0.36 8.32 0.00 -1.38 0.78 103.07 111.91 2c7h h GLY 40 Ca 0.16 -0.21 -0.00 0.00 0.00 0.00 0.00 47.33 47.28 2c7h h GLY 40 CO -0.03 0.19 -0.02 -0.09 0.00 0.00 0.00 176.54 176.60 2c7h h ARG 41 N 0.10 -0.05 -0.00 4.80 2.43 -0.72 -3.33 114.38 117.61 2c7h h ARG 41 Ca -0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2c7h h ARG 41 Cb 1.19 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 2c7h h ARG 41 CO 0.10 0.54 -0.33 0.39 -1.51 0.00 0.00 179.97 179.15 2c7h n GLU 42 N -4.82 0.08 -1.77 0.20 -0.58 0.33 -4.94 120.64 109.14 2c7h n GLU 42 Ca -0.09 -0.04 -0.01 0.00 -0.42 0.00 0.00 57.16 56.61 2c7h n GLU 42 Cb 0.30 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.68 2c7h n GLU 42 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2c7h n LYS 43 N -1.43 -0.27 -4.02 3.49 4.76 -0.91 -5.05 118.16 114.73 2c7h n LYS 43 Ca 0.07 0.51 -0.35 0.00 -2.87 0.00 0.00 58.31 55.68 2c7h n LYS 43 Cb 0.33 -2.22 -0.10 0.00 -1.84 0.00 0.00 35.03 31.21 2c7h n LYS 43 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2c7h s LEU 44 N -2.65 3.77 -0.38 -0.35 1.02 0.22 -5.05 118.68 115.26 2c7h s LEU 44 Ca 0.02 0.06 -0.29 0.00 0.02 0.00 0.00 54.13 53.94 2c7h s LEU 44 Cb -0.00 -1.95 0.01 0.00 0.02 0.00 0.00 46.19 44.27 2c7h s LEU 44 CO 0.12 0.16 1.24 -0.75 0.02 0.00 0.00 176.35 177.14 2c7h s LYS 45 N 0.42 3.81 0.00 1.70 2.20 -1.26 -4.70 119.74 121.91 2c7h s LYS 45 Ca 0.03 0.94 0.29 0.00 -0.36 0.00 0.00 55.97 56.87 2c7h s LYS 45 Cb -0.13 -3.89 1.68 0.00 -1.51 0.00 0.00 37.83 33.98 2c7h s LYS 45 CO 0.01 -1.26 2.05 0.00 -0.36 0.00 0.00 175.35 175.79 2c7h n ALA 46 N 7.82 2.55 0.47 3.13 0.00 -1.26 -1.69 120.51 131.53 2c7h n ALA 46 Ca 0.14 -0.17 0.10 0.00 0.00 0.00 0.00 53.44 53.51 2c7h n ALA 46 Cb 0.48 -1.47 0.15 0.00 0.00 0.00 0.00 19.45 18.61 2c7h n ALA 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2c7h n ALA 47 N -1.04 2.42 -0.00 0.00 0.00 -1.26 -4.49 120.51 116.13 2c7h n ALA 47 Ca 0.20 -0.86 -0.02 0.00 0.00 0.00 0.00 53.44 52.77 2c7h n ALA 47 Cb 0.12 -0.72 -0.01 0.00 0.00 0.00 0.00 19.45 18.84 2c7h n ALA 47 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2c7h n ASP 48 N 1.21 0.26 -4.30 0.00 2.03 -0.80 -4.79 116.55 110.16 2c7h n ASP 48 Ca 0.15 0.04 -0.16 0.00 0.52 0.00 0.00 54.79 55.34 2c7h n ASP 48 Cb 0.53 -0.09 -0.10 0.00 -0.72 0.00 0.00 41.12 40.73 2c7h n ASP 48 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2c7h s ASP 50 N -3.28 4.45 -0.15 0.00 -1.08 0.11 -4.20 116.67 112.52 2c7h s ASP 50 Ca 0.33 -1.05 0.00 0.00 -0.52 0.00 0.00 52.55 51.32 2c7h s ASP 50 Cb 0.07 -0.50 -0.00 0.00 -1.46 0.00 0.00 42.92 41.03 2c7h s ASP 50 CO 0.11 -0.52 -0.16 -0.22 0.52 0.00 0.00 175.17 174.90 2c7h s LEU 51 N -3.90 2.43 -0.07 -1.34 2.96 -1.26 -1.77 118.68 115.74 2c7h s LEU 51 Ca 0.41 -0.49 0.04 0.00 -0.22 0.00 0.00 54.13 53.87 2c7h s LEU 51 Cb 0.03 -1.55 -0.02 0.00 0.50 0.00 0.00 46.19 45.15 2c7h s LEU 51 CO 0.23 0.08 -0.17 -1.58 -1.32 0.00 0.00 176.35 173.58 2c7h s GLN 52 N 0.82 2.69 -0.05 1.98 0.74 0.44 -4.94 119.66 121.35 2c7h s GLN 52 Ca -0.05 -0.76 0.06 0.00 0.05 0.00 0.00 55.36 54.65 2c7h s GLN 52 Cb -0.15 -2.36 -0.01 0.00 1.10 0.00 0.00 33.01 31.59 2c7h s GLN 52 CO -0.00 0.46 -0.23 0.42 -0.55 0.00 0.00 175.29 175.39 2c7h s ILE 53 N -0.33 1.86 0.03 -2.34 -1.09 -1.26 -0.35 121.20 117.71 2c7h s ILE 53 Ca 0.02 -0.96 0.05 0.00 -2.23 0.00 0.00 60.65 57.54 2c7h s ILE 53 Cb -0.13 -1.58 -0.02 0.00 -1.58 0.00 0.00 42.46 39.16 2c7h s ILE 53 CO 0.02 0.52 -0.15 -0.89 -1.23 0.00 0.00 174.94 173.21 2c7h s THR 54 N -0.13 1.23 0.26 2.92 2.01 0.16 -0.56 115.64 121.52 2c7h s THR 54 Ca -0.03 -0.97 -0.30 0.00 0.31 0.00 0.00 61.69 60.71 2c7h s THR 54 Cb -0.13 -1.08 -0.09 0.00 0.01 0.00 0.00 72.50 71.21 2c7h s THR 54 CO 0.03 0.10 1.15 0.21 -0.69 0.00 0.00 174.62 175.43 2c7h s ASN 55 N -1.00 7.15 0.28 3.53 3.84 0.12 0.10 114.94 128.97 2c7h s ASN 55 Ca 0.03 2.31 0.15 0.00 0.21 0.00 0.00 52.86 55.56 2c7h s ASN 55 Cb -0.08 -2.62 0.18 0.00 -0.55 0.00 0.00 41.25 38.19 2c7h s ASN 55 CO 0.01 -0.26 1.50 0.00 -2.79 0.00 0.00 177.10 175.55 2c7h h ALA 56 N 4.22 0.71 0.00 1.71 0.00 -1.26 -1.98 119.26 122.65 2c7h h ALA 56 Ca -0.46 -0.50 -0.26 0.00 0.00 0.00 0.00 54.91 53.68 2c7h h ALA 56 Cb 1.21 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 2c7h h ALA 56 CO 0.69 0.69 -1.60 1.04 0.00 0.00 0.00 179.25 180.07 2c7h n GLN 57 N -3.33 0.56 0.06 0.00 1.13 -1.25 -4.52 117.38 110.02 2c7h n GLN 57 Ca 0.01 0.42 0.12 0.00 -1.94 0.00 0.00 57.00 55.60 2c7h n GLN 57 Cb 0.71 -1.61 0.07 0.00 0.11 0.00 0.00 30.24 29.52 2c7h n GLN 57 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 2c7h n THR 58 N -4.39 0.36 -1.58 5.09 -2.24 -1.26 -4.94 114.28 105.32 2c7h n THR 58 Ca -0.35 -0.34 -0.15 0.00 -2.27 0.00 0.00 64.05 60.94 2c7h n THR 58 Cb 0.69 -0.08 -0.05 0.00 -2.10 0.00 0.00 70.33 68.79 2c7h n THR 58 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2c7h n LYS 59 N -2.22 -1.05 -2.90 -0.78 4.76 -0.74 -4.98 118.16 110.25 2c7h n LYS 59 Ca 0.02 0.96 -0.41 0.00 -2.87 0.00 0.00 58.31 56.01 2c7h n LYS 59 Cb 0.47 -5.12 -0.04 0.00 -1.84 0.00 0.00 35.03 28.50 2c7h n LYS 59 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 2c7h s GLU 60 N -3.51 4.50 0.31 1.97 2.12 -1.26 -4.61 118.70 118.22 2c7h s GLU 60 Ca 0.00 1.13 -0.26 0.00 0.36 0.00 0.00 54.97 56.20 2c7h s GLU 60 Cb 0.00 -3.44 -0.10 0.00 0.26 0.00 0.00 34.13 30.86 2c7h s GLU 60 CO 0.00 0.06 0.93 -1.21 -0.54 0.00 0.00 175.26 174.51 2c7h s GLU 61 N 0.70 4.60 -0.53 4.30 2.02 -1.26 0.16 118.70 128.69 2c7h s GLU 61 Ca 0.43 1.32 -0.12 0.00 0.02 0.00 0.00 54.97 56.63 2c7h s GLU 61 Cb -0.20 -2.85 0.13 0.00 0.10 0.00 0.00 34.13 31.32 2c7h s GLU 61 CO 0.23 0.31 0.44 0.71 0.02 0.00 0.00 175.26 176.96 2c7h s TYR 62 N -1.57 3.38 -0.10 1.61 2.02 0.27 -4.89 117.35 118.07 2c7h s TYR 62 Ca 0.49 -1.68 0.16 0.00 -0.37 0.00 0.00 57.07 55.66 2c7h s TYR 62 Cb -0.19 -3.63 -0.18 0.00 -0.40 0.00 0.00 41.96 37.56 2c7h s TYR 62 CO 0.24 -1.00 0.70 0.25 -1.57 0.00 0.00 175.55 174.17 2c7h n THR 63 N 4.94 1.30 -3.97 -0.71 -2.24 -1.26 -4.33 114.28 108.00 2c7h n THR 63 Ca -0.08 -0.73 -0.35 0.00 -2.27 0.00 0.00 64.05 60.62 2c7h n THR 63 Cb 0.41 -0.79 -0.06 0.00 -2.10 0.00 0.00 70.33 67.79 2c7h n THR 63 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2c7h s ASP 64 N -5.81 6.16 0.05 3.42 -1.08 -1.26 -4.97 116.67 113.19 2c7h s ASP 64 Ca -0.04 0.33 0.22 0.00 -0.52 0.00 0.00 52.55 52.54 2c7h s ASP 64 Cb 0.08 -1.91 0.89 0.00 -1.46 0.00 0.00 42.92 40.52 2c7h s ASP 64 CO 0.82 0.32 1.68 -0.90 0.52 0.00 0.00 175.17 177.62 2c7h n ASP 65 N 1.41 0.17 -0.16 -0.34 5.75 -1.26 -1.77 116.55 120.34 2c7h n ASP 65 Ca -0.15 0.53 0.14 0.00 -0.01 0.00 0.00 54.79 55.30 2c7h n ASP 65 Cb 0.53 -0.57 0.62 0.00 -1.03 0.00 0.00 41.12 40.68 2c7h n ASP 65 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2c7h n ASN 66 N -1.67 0.61 -4.77 -1.12 3.02 -1.26 -1.69 115.26 108.38 2c7h n ASN 66 Ca 0.05 -0.79 -0.40 0.00 -0.03 0.00 0.00 54.58 53.40 2c7h n ASN 66 Cb 0.26 -0.04 -0.01 0.00 -0.61 0.00 0.00 39.78 39.38 2c7h n ASN 66 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2c7h s ALA 67 N -2.35 3.43 -0.05 5.41 0.00 -0.73 -4.75 121.76 122.73 2c7h s ALA 67 Ca 0.32 1.31 0.05 0.00 0.00 0.00 0.00 51.96 53.64 2c7h s ALA 67 Cb 0.20 -3.50 -0.02 0.00 0.00 0.00 0.00 23.12 19.80 2c7h s ALA 67 CO 0.44 -0.77 -0.21 -0.48 0.00 0.00 0.00 175.76 174.74 2c7h s LEU 68 N -2.05 2.34 -0.21 0.00 0.05 -1.26 0.73 118.68 118.28 2c7h s LEU 68 Ca 0.52 -0.38 0.00 0.00 0.05 0.00 0.00 54.13 54.33 2c7h s LEU 68 Cb -0.40 -1.44 0.03 0.00 -2.05 0.00 0.00 46.19 42.32 2c7h s LEU 68 CO 0.53 0.29 -0.14 -0.63 -0.55 0.00 0.00 176.35 175.85 2c7h s ILE 69 N -0.44 2.37 0.52 1.48 1.09 0.12 -4.90 121.20 121.44 2c7h s ILE 69 Ca 0.05 -1.03 -0.18 0.00 -1.10 0.00 0.00 60.65 58.39 2c7h s ILE 69 Cb -0.12 -2.11 -0.07 0.00 -1.06 0.00 0.00 42.46 39.10 2c7h s ILE 69 CO 0.01 0.37 1.02 -2.16 -0.10 0.00 0.00 174.94 174.08 2c7h s PRO 70 N 1.28 3.75 0.64 2.79 0.04 -1.26 -0.90 135.00 141.34 2c7h s PRO 70 Ca 0.02 1.16 0.35 0.00 0.04 0.00 0.00 61.00 62.57 2c7h s PRO 70 Cb -0.15 -2.10 1.98 0.00 0.04 0.00 0.00 34.50 34.27 2c7h s PRO 70 CO -0.09 -0.45 2.19 1.57 0.04 0.00 0.00 177.00 180.26 2c7h h LYS 71 N 1.07 0.00 -0.01 4.56 2.10 -1.26 -1.23 116.57 121.80 2c7h h LYS 71 Ca -0.48 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 2c7h h LYS 71 Cb 1.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 2c7h h LYS 71 CO 0.59 0.00 -0.06 0.27 -2.00 0.00 0.00 179.45 178.25 2c7h n ASN 72 N -3.33 0.92 -4.72 7.07 0.23 -1.26 -4.39 115.26 109.77 2c7h n ASN 72 Ca -0.02 -1.12 -0.32 0.00 -0.53 0.00 0.00 54.58 52.60 2c7h n ASN 72 Cb 0.21 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 37.83 2c7h n ASN 72 CO 0.00 0.00 0.00 -0.44 -0.93 0.00 0.00 177.26 175.89 2c7h s SER 73 N -2.17 5.29 -0.20 0.53 0.01 -0.47 -5.04 113.70 111.65 2c7h s SER 73 Ca 0.36 -0.02 -0.05 0.00 1.31 0.00 0.00 55.95 57.55 2c7h s SER 73 Cb 0.21 -1.39 -0.02 0.00 0.21 0.00 0.00 66.02 65.02 2c7h s SER 73 CO 0.40 0.23 -0.01 -0.94 0.41 0.00 0.00 173.24 173.33 2c7h s SER 74 N -1.95 4.74 0.11 2.44 1.04 -1.26 -3.62 113.70 115.20 2c7h s SER 74 Ca 0.24 -0.23 0.09 0.00 0.48 0.00 0.00 55.95 56.53 2c7h s SER 74 Cb -0.12 -1.81 -0.04 0.00 0.10 0.00 0.00 66.02 64.16 2c7h s SER 74 CO 0.15 0.06 -0.23 0.68 0.98 0.00 0.00 173.24 174.88 2c7h s VAL 75 N 1.02 1.90 -0.19 5.02 -7.23 -0.64 -0.80 120.40 119.48 2c7h s VAL 75 Ca 0.02 -1.61 -0.16 0.00 -1.81 0.00 0.00 61.98 58.41 2c7h s VAL 75 Cb -0.14 -1.70 -0.04 0.00 0.56 0.00 0.00 36.38 35.05 2c7h s VAL 75 CO 0.01 -0.01 0.40 -0.63 -0.31 0.00 0.00 175.10 174.57 2c7h s ILE 76 N -1.13 5.20 -0.23 -0.62 -1.09 0.29 -1.36 121.20 122.27 2c7h s ILE 76 Ca 0.09 0.73 -0.07 0.00 -2.23 0.00 0.00 60.65 59.17 2c7h s ILE 76 Cb -0.10 -3.73 -0.03 0.00 -1.58 0.00 0.00 42.46 37.02 2c7h s ILE 76 CO 0.05 0.27 0.05 -0.69 -1.23 0.00 0.00 174.94 173.39 2c7h s VAL 77 N 1.19 4.27 -0.05 2.92 1.01 0.52 -0.67 120.40 129.59 2c7h s VAL 77 Ca 0.20 -0.19 0.04 0.00 0.00 0.00 0.00 61.98 62.02 2c7h s VAL 77 Cb -0.15 -2.97 -0.00 0.00 0.00 0.00 0.00 36.38 33.26 2c7h s VAL 77 CO 0.08 0.37 -0.17 -0.60 0.00 0.00 0.00 175.10 174.78 2c7h s ARG 78 N 1.35 1.83 -0.32 2.72 3.52 0.52 -2.69 118.95 125.89 2c7h s ARG 78 Ca 0.05 -0.60 -0.20 0.00 -0.13 0.00 0.00 55.73 54.85 2c7h s ARG 78 Cb -0.15 -1.57 -0.01 0.00 -1.56 0.00 0.00 34.95 31.67 2c7h s ARG 78 CO 0.03 0.21 0.64 0.50 -0.81 0.00 0.00 175.30 175.87 2c7h s ARG 79 N 0.13 3.85 0.13 5.12 3.52 -1.26 -0.42 118.95 130.02 2c7h s ARG 79 Ca -0.06 0.26 0.10 0.00 -0.13 0.00 0.00 55.73 55.90 2c7h s ARG 79 Cb -0.12 -3.75 -0.04 0.00 -1.56 0.00 0.00 34.95 29.48 2c7h s ARG 79 CO 0.03 -0.61 -0.24 0.96 -0.81 0.00 0.00 175.30 174.63 2c7h s ILE 80 N 2.65 2.46 0.29 4.11 -5.25 -0.73 -4.96 121.20 119.78 2c7h s ILE 80 Ca 0.25 -1.71 -0.29 0.00 -0.99 0.00 0.00 60.65 57.91 2c7h s ILE 80 Cb -0.15 -2.12 -0.10 0.00 2.95 0.00 0.00 42.46 43.05 2c7h s ILE 80 CO 0.12 0.07 1.29 -2.16 -1.79 0.00 0.00 174.94 172.47 2c7h s PRO 81 N -2.16 4.39 0.27 0.37 0.04 -1.26 0.07 135.00 136.73 2c7h s PRO 81 Ca 0.16 2.14 0.12 0.00 0.04 0.00 0.00 61.00 63.46 2c7h s PRO 81 Cb -0.10 -3.12 0.33 0.00 0.04 0.00 0.00 34.50 31.66 2c7h s PRO 81 CO 0.08 -0.17 1.58 -0.84 0.04 0.00 0.00 177.00 177.69 2c7h h ILE 82 N 3.23 1.33 0.00 0.56 3.07 -1.85 -3.42 117.51 120.42 2c7h h ILE 82 Ca -0.48 -2.18 0.00 0.00 1.55 0.00 0.00 64.86 63.75 2c7h h ILE 82 Cb 1.22 2.21 0.00 0.00 -0.27 0.00 0.00 36.82 39.98 2c7h h ILE 82 CO 0.69 0.60 0.00 0.61 -1.05 0.00 0.00 178.15 179.00 2c7h n GLY 83 N 0.45 0.99 0.00 0.16 0.00 -1.26 -4.14 105.19 101.39 2c7h n GLY 83 Ca -0.01 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.35 2c7h n GLY 83 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2c7h n GLY 84 N 0.00 0.61 3.57 -0.02 0.00 -1.26 -5.01 105.19 103.07 2c7h n GLY 84 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 2c7h n GLY 84 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2c7h s VAL 85 N 0.00 3.88 -2.99 1.61 -7.23 -1.26 -5.17 120.40 109.25 2c7h s VAL 85 Ca 0.00 -1.04 0.24 0.00 -1.81 0.00 0.00 61.98 59.37 2c7h s VAL 85 Cb 0.00 -4.92 0.20 0.00 0.56 0.00 0.00 36.38 32.22 2c7h s VAL 85 CO 0.00 -1.76 1.27 0.29 -0.31 0.00 0.00 175.10 174.59