#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c7h s PRO 2 N 0.00 4.36 -0.06 1.61 0.02 -1.26 -4.97 135.00 134.71 2c7h s PRO 2 Ca 0.00 1.90 -0.02 0.00 0.02 0.00 0.00 61.00 62.90 2c7h s PRO 2 Cb 0.00 -3.36 -0.01 0.00 0.02 0.00 0.00 34.50 31.15 2c7h s PRO 2 CO 0.00 -0.39 0.11 -0.07 -0.33 0.00 0.00 177.00 176.33 2c7h h LEU 3 N 7.14 -0.06 -0.93 -5.54 3.38 -2.10 -3.38 115.31 113.82 2c7h h LEU 3 Ca -0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.57 2c7h h LEU 3 Cb 1.20 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.97 2c7h h LEU 3 CO 0.85 0.27 0.00 0.61 0.09 0.00 0.00 178.44 180.25 2c7h n GLY 4 N 1.58 0.10 0.83 0.83 0.00 -1.26 -3.40 105.19 103.87 2c7h n GLY 4 Ca -0.01 -0.35 0.11 0.00 0.00 0.00 0.00 46.02 45.77 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 0.15 2.50 -4.75 1.61 7.64 -1.26 -4.90 113.62 114.61 2c7h n SER 5 Ca 0.14 -1.86 -0.41 0.00 1.01 0.00 0.00 58.87 57.76 2c7h n SER 5 Cb 0.27 -0.18 -0.03 0.00 -1.01 0.00 0.00 64.21 63.26 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 -1.64 4.39 -0.46 1.43 -1.94 -1.22 -4.90 119.30 114.96 2c7h s MET 6 Ca 0.35 2.10 -0.28 0.00 -1.71 0.00 0.00 55.69 56.14 2c7h s MET 6 Cb 0.20 -3.15 0.03 0.00 2.01 0.00 0.00 34.83 33.91 2c7h s MET 6 CO 0.28 -0.20 1.09 -1.12 -0.01 0.00 0.00 175.02 175.06 2c7h s SER 7 N -0.02 6.63 -0.03 3.03 0.01 -1.23 -4.95 113.70 117.13 2c7h s SER 7 Ca 0.53 0.45 0.00 0.00 1.31 0.00 0.00 55.95 58.25 2c7h s SER 7 Cb -0.37 -2.53 0.03 0.00 0.21 0.00 0.00 66.02 63.35 2c7h s SER 7 CO 0.43 -1.18 0.02 0.00 0.41 0.00 0.00 173.24 172.91 2c7h s VAL 9 N 1.14 4.21 -0.51 0.00 1.01 -0.47 -4.65 120.40 121.14 2c7h s VAL 9 Ca -0.08 -0.25 -0.28 0.00 0.00 0.00 0.00 61.98 61.36 2c7h s VAL 9 Cb -0.13 -2.84 0.03 0.00 0.00 0.00 0.00 36.38 33.43 2c7h s VAL 9 CO -0.02 0.51 1.12 -1.00 0.00 0.00 0.00 175.10 175.71 2c7h s HIS 10 N 0.09 2.77 -0.03 5.22 3.76 -1.25 -1.62 115.29 124.23 2c7h s HIS 10 Ca 0.01 0.57 0.05 0.00 -0.15 0.00 0.00 55.06 55.55 2c7h s HIS 10 Cb -0.13 -4.40 -0.01 0.00 1.11 0.00 0.00 32.58 29.15 2c7h s HIS 10 CO 0.02 -1.34 -0.20 1.52 -0.85 0.00 0.00 174.74 173.89 2c7h s TYR 11 N 4.50 1.87 -0.07 1.40 1.13 0.53 -1.01 117.35 125.69 2c7h s TYR 11 Ca 0.45 -0.46 0.05 0.00 -1.41 0.00 0.00 57.07 55.70 2c7h s TYR 11 Cb -0.08 -1.23 -0.01 0.00 -1.10 0.00 0.00 41.96 39.55 2c7h s TYR 11 CO 0.29 -0.11 -0.24 -1.59 -2.51 0.00 0.00 175.55 171.39 2c7h s LYS 12 N -0.23 2.70 0.33 -3.49 -2.85 -0.75 0.05 119.74 115.50 2c7h s LYS 12 Ca 0.02 -0.88 -0.09 0.00 -1.00 0.00 0.00 55.97 54.02 2c7h s LYS 12 Cb -0.10 -2.18 -0.06 0.00 -2.06 0.00 0.00 37.83 33.42 2c7h s LYS 12 CO 0.01 0.30 0.66 0.12 0.10 0.00 0.00 175.35 176.54 2c7h s PHE 13 N 0.04 3.46 -0.71 1.78 2.19 -1.26 -0.31 117.98 123.17 2c7h s PHE 13 Ca -0.09 0.90 0.18 0.00 0.33 0.00 0.00 56.93 58.24 2c7h s PHE 13 Cb -0.15 -2.31 0.78 0.00 -1.31 0.00 0.00 43.02 40.03 2c7h s PHE 13 CO 0.06 0.06 1.56 -1.13 1.83 0.00 0.00 175.22 177.59 2c7h n SER 14 N -0.94 0.34 -0.01 6.13 3.41 -0.18 -0.66 113.62 121.70 2c7h n SER 14 Ca 0.01 0.59 0.13 0.00 -0.26 0.00 0.00 58.87 59.34 2c7h n SER 14 Cb 0.54 -0.66 0.34 0.00 -0.26 0.00 0.00 64.21 64.16 2c7h n SER 14 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2c7h n SER 15 N -1.89 0.41 -4.00 4.04 3.41 -1.26 -4.90 113.62 109.44 2c7h n SER 15 Ca 0.02 -0.12 -0.21 0.00 -0.26 0.00 0.00 58.87 58.31 2c7h n SER 15 Cb 0.17 0.08 -0.02 0.00 -0.26 0.00 0.00 64.21 64.19 2c7h n SER 15 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2c7h n LYS 16 N -1.46 0.98 0.00 4.33 5.02 0.16 -5.05 118.16 122.14 2c7h n LYS 16 Ca 0.06 -2.55 0.00 0.00 -2.02 0.00 0.00 58.31 53.81 2c7h n LYS 16 Cb 0.34 0.43 0.00 0.00 -0.02 0.00 0.00 35.03 35.78 2c7h n LYS 16 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 2c7h n LEU 17 N 0.00 0.00 -4.84 -0.35 7.94 -1.26 -4.74 117.00 113.75 2c7h n LEU 17 Ca -0.07 0.00 -0.24 0.00 -1.11 0.00 0.00 56.01 54.59 2c7h n LEU 17 Cb 0.46 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.36 2c7h n LEU 17 CO 0.26 0.00 -0.17 0.20 -1.11 0.00 0.00 177.39 176.57 2c7h s ASN 18 N -0.65 5.66 0.33 1.96 0.01 -1.26 -5.04 114.94 115.95 2c7h s ASN 18 Ca 0.00 -0.13 -0.20 0.00 -0.71 0.00 0.00 52.86 51.82 2c7h s ASN 18 Cb 0.00 -1.50 -0.09 0.00 0.41 0.00 0.00 41.25 40.06 2c7h s ASN 18 CO 0.00 0.01 0.83 -0.31 -1.51 0.00 0.00 177.10 176.12 2c7h s TYR 19 N -1.92 3.48 0.48 2.20 2.02 -1.26 -4.49 117.35 117.86 2c7h s TYR 19 Ca 0.32 1.46 0.02 0.00 -0.37 0.00 0.00 57.07 58.50 2c7h s TYR 19 Cb -0.09 -2.71 -0.01 0.00 -0.40 0.00 0.00 41.96 38.75 2c7h s TYR 19 CO 0.25 0.12 0.05 0.34 -1.57 0.00 0.00 175.55 174.74 2c7h s ASP 20 N -1.98 3.70 -0.16 2.29 -1.08 0.11 -4.86 116.67 114.68 2c7h s ASP 20 Ca 0.53 -1.68 -0.01 0.00 -0.52 0.00 0.00 52.55 50.87 2c7h s ASP 20 Cb -0.13 0.55 0.04 0.00 -1.46 0.00 0.00 42.92 41.93 2c7h s ASP 20 CO 0.18 -0.90 -0.04 0.42 0.52 0.00 0.00 175.17 175.35 2c7h s THR 21 N -2.99 1.00 -0.09 1.71 -4.23 -1.25 -0.35 115.64 109.44 2c7h s THR 21 Ca 0.11 -0.55 -0.13 0.00 -1.18 0.00 0.00 61.69 59.94 2c7h s THR 21 Cb 0.02 -1.19 -0.05 0.00 1.34 0.00 0.00 72.50 72.61 2c7h s THR 21 CO 0.07 0.12 0.32 0.54 -0.54 0.00 0.00 174.62 175.13 2c7h s VAL 22 N 1.68 5.23 0.01 2.29 0.11 -0.64 -4.83 120.40 124.26 2c7h s VAL 22 Ca 0.01 0.62 0.01 0.00 -2.93 0.00 0.00 61.98 59.69 2c7h s VAL 22 Cb -0.15 -3.63 -0.04 0.00 -1.53 0.00 0.00 36.38 31.03 2c7h s VAL 22 CO -0.08 0.50 0.06 0.42 -3.33 0.00 0.00 175.10 172.67 2c7h s THR 23 N -0.38 4.55 0.35 5.04 -4.23 -1.26 -1.36 115.64 118.35 2c7h s THR 23 Ca 0.19 -0.52 -0.13 0.00 -1.18 0.00 0.00 61.69 60.05 2c7h s THR 23 Cb -0.14 -3.09 0.03 0.00 1.34 0.00 0.00 72.50 70.64 2c7h s THR 23 CO 0.08 0.32 0.68 0.72 -0.54 0.00 0.00 174.62 175.87 2c7h s PHE 24 N -1.20 0.30 -0.09 3.99 -0.71 -0.12 -4.99 117.98 115.16 2c7h s PHE 24 Ca 0.23 -0.82 0.01 0.00 -1.04 0.00 0.00 56.93 55.31 2c7h s PHE 24 Cb -0.12 0.55 -0.02 0.00 -1.21 0.00 0.00 43.02 42.22 2c7h s PHE 24 CO 0.14 -1.37 -0.12 0.34 -1.34 0.00 0.00 175.22 172.88 2c7h s ASP 25 N -3.08 4.19 0.00 1.98 2.15 -1.26 -3.58 116.67 117.08 2c7h s ASP 25 Ca 0.19 -0.21 0.00 0.00 0.43 0.00 0.00 52.55 52.95 2c7h s ASP 25 Cb -0.04 -1.29 0.00 0.00 -0.30 0.00 0.00 42.92 41.29 2c7h s ASP 25 CO 0.12 0.26 0.00 0.61 -0.17 0.00 0.00 175.17 175.99 2c7h n GLY 26 N 2.90 1.30 0.08 2.66 0.00 -1.26 -4.80 105.19 106.07 2c7h n GLY 26 Ca -0.18 -2.28 -0.11 0.00 0.00 0.00 0.00 46.02 43.45 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 0.19 -7.69 0.99 7.12 -1.97 -3.44 115.31 110.52 2c7h h LEU 27 Ca 0.00 -0.22 -0.08 0.00 0.13 0.00 0.00 57.88 57.71 2c7h h LEU 27 Cb 0.00 -0.06 -0.14 0.00 -0.53 0.00 0.00 40.66 39.93 2c7h h LEU 27 CO 0.00 1.18 -0.28 -1.38 -0.13 0.00 0.00 178.44 177.83 2c7h s HIS 28 N -2.67 0.05 -0.09 1.25 -3.43 -1.26 -1.42 115.29 107.72 2c7h s HIS 28 Ca -0.02 -0.44 0.02 0.00 -0.80 0.00 0.00 55.06 53.81 2c7h s HIS 28 Cb 0.08 0.04 0.01 0.00 -1.43 0.00 0.00 32.58 31.28 2c7h s HIS 28 CO 0.85 -0.59 -0.15 -1.50 -2.00 0.00 0.00 174.74 171.34 2c7h s ILE 29 N -3.85 1.40 0.57 -5.38 2.07 0.03 -4.91 121.20 111.14 2c7h s ILE 29 Ca 0.04 -0.61 -0.20 0.00 -1.41 0.00 0.00 60.65 58.47 2c7h s ILE 29 Cb 0.04 -1.27 -0.04 0.00 0.13 0.00 0.00 42.46 41.33 2c7h s ILE 29 CO -0.11 0.42 1.30 -0.44 -1.91 0.00 0.00 174.94 174.20 2c7h s SER 30 N 0.77 5.14 0.19 4.50 0.01 -1.26 0.26 113.70 123.31 2c7h s SER 30 Ca -0.12 2.64 -0.12 0.00 1.31 0.00 0.00 55.95 59.66 2c7h s SER 30 Cb -0.16 -2.62 0.21 0.00 0.21 0.00 0.00 66.02 63.66 2c7h s SER 30 CO 0.02 -1.65 1.74 0.25 0.41 0.00 0.00 173.24 174.02 2c7h h LEU 31 N 1.16 0.18 -0.58 2.44 5.85 -0.07 0.27 115.31 124.57 2c7h h LEU 31 Ca -0.51 0.07 0.06 0.00 0.84 0.00 0.00 57.88 58.34 2c7h h LEU 31 Cb 1.31 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 42.33 2c7h h LEU 31 CO 0.56 0.13 0.28 0.00 -0.34 0.00 0.00 178.44 179.06 2c7h h ASP 33 N 0.52 0.91 -0.29 0.00 5.19 -1.59 -2.45 116.42 118.71 2c7h h ASP 33 Ca 0.27 -0.39 -0.01 0.00 -0.62 0.00 0.00 57.03 56.28 2c7h h ASP 33 Cb 0.23 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 39.47 2c7h h ASP 33 CO -0.21 1.10 0.15 0.25 -3.12 0.00 0.00 179.24 177.41 2c7h h LEU 34 N 0.72 0.36 -0.67 1.55 7.12 0.11 -1.67 115.31 122.84 2c7h h LEU 34 Ca 0.10 -0.10 -0.09 0.00 0.13 0.00 0.00 57.88 57.92 2c7h h LEU 34 Cb 0.73 -0.09 -0.02 0.00 -0.53 0.00 0.00 40.66 40.75 2c7h h LEU 34 CO 0.06 0.36 -0.01 0.11 -0.13 0.00 0.00 178.44 178.82 2c7h h LYS 35 N 0.34 1.02 -0.85 1.25 1.57 -0.74 -1.90 116.57 117.26 2c7h h LYS 35 Ca 0.10 -0.32 -0.02 0.00 -1.87 0.00 0.00 60.65 58.54 2c7h h LYS 35 Cb 0.08 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.25 2c7h h LYS 35 CO -0.02 1.01 0.46 0.87 -0.57 0.00 0.00 179.45 181.20 2c7h h LYS 36 N 0.94 1.19 -0.14 3.15 6.56 -1.08 0.29 116.57 127.48 2c7h h LYS 36 Ca 0.17 -0.14 -0.02 0.00 -1.06 0.00 0.00 60.65 59.59 2c7h h LYS 36 Cb 0.55 -0.23 -0.00 0.00 -0.57 0.00 0.00 32.23 31.98 2c7h h LYS 36 CO 0.03 0.87 -0.01 1.96 -2.06 0.00 0.00 179.45 180.24 2c7h h GLN 37 N 1.19 0.25 -0.13 3.15 4.20 -1.00 -1.55 115.11 121.21 2c7h h GLN 37 Ca 0.30 -0.08 -0.03 0.00 0.06 0.00 0.00 58.65 58.89 2c7h h GLN 37 Cb 0.04 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 27.79 2c7h h GLN 37 CO -0.05 0.50 -0.05 0.82 -0.67 0.00 0.00 178.83 179.38 2c7h h ILE 38 N -0.03 1.31 -0.59 2.54 2.04 -1.01 -0.63 117.51 121.14 2c7h h ILE 38 Ca 0.04 -1.06 -0.07 0.00 1.00 0.00 0.00 64.86 64.77 2c7h h ILE 38 Cb 0.40 1.75 -0.02 0.00 -0.74 0.00 0.00 36.82 38.20 2c7h h ILE 38 CO 0.01 0.31 0.09 0.24 0.00 0.00 0.00 178.15 178.80 2c7h h MET 39 N -0.07 0.95 -0.06 2.37 2.86 -0.51 0.02 114.93 120.49 2c7h h MET 39 Ca 0.03 -0.23 -0.13 0.00 -2.06 0.00 0.00 59.70 57.30 2c7h h MET 39 Cb 0.51 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.03 2c7h h MET 39 CO 0.02 0.88 -0.56 0.78 1.06 0.00 0.00 176.91 179.08 2c7h h GLY 40 N 1.02 0.20 0.40 8.32 0.00 -1.24 0.34 103.07 112.11 2c7h h GLY 40 Ca 0.18 -0.23 -0.00 0.00 0.00 0.00 0.00 47.33 47.28 2c7h h GLY 40 CO 0.01 0.21 -0.00 -0.09 0.00 0.00 0.00 176.54 176.66 2c7h h ARG 41 N 0.14 -0.01 -0.00 4.80 2.43 -0.46 -3.28 114.38 118.00 2c7h h ARG 41 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2c7h h ARG 41 Cb 1.03 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.59 2c7h h ARG 41 CO 0.08 0.58 -0.21 0.39 -1.51 0.00 0.00 179.97 179.31 2c7h n GLU 42 N -4.81 0.03 -2.21 0.20 -0.58 -0.06 -4.93 120.64 108.28 2c7h n GLU 42 Ca -0.09 -0.01 -0.05 0.00 -0.42 0.00 0.00 57.16 56.59 2c7h n GLU 42 Cb 0.30 -1.50 0.02 0.00 -0.57 0.00 0.00 31.44 29.69 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 -1.48 -0.84 -3.77 3.49 4.76 -0.55 -5.06 118.16 114.71 2c7h n LYS 43 Ca 0.07 0.49 -0.24 0.00 -2.87 0.00 0.00 58.31 55.76 2c7h n LYS 43 Cb 0.33 -3.29 -0.02 0.00 -1.84 0.00 0.00 35.03 30.21 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 -3.72 4.23 -0.42 -0.35 1.02 0.11 -5.03 118.68 114.52 2c7h s LEU 44 Ca 0.15 0.24 -0.09 0.00 0.02 0.00 0.00 54.13 54.44 2c7h s LEU 44 Cb -0.02 -3.03 0.08 0.00 0.02 0.00 0.00 46.19 43.24 2c7h s LEU 44 CO 0.31 -0.10 0.26 -1.59 0.02 0.00 0.00 176.35 175.25 2c7h s LYS 45 N -3.85 2.58 0.15 1.70 0.00 -1.26 -4.74 119.74 114.32 2c7h s LYS 45 Ca 0.36 -1.49 0.19 0.00 0.00 0.00 0.00 55.97 55.04 2c7h s LYS 45 Cb -0.10 -3.79 0.82 0.00 0.00 0.00 0.00 37.83 34.77 2c7h s LYS 45 CO 0.31 -0.97 1.60 0.00 0.00 0.00 0.00 175.35 176.28 2c7h n ALA 46 N 4.91 1.64 1.56 0.59 0.00 -1.26 -1.75 120.51 126.20 2c7h n ALA 46 Ca -0.10 0.03 0.14 0.00 0.00 0.00 0.00 53.44 53.52 2c7h n ALA 46 Cb 0.43 -1.32 0.65 0.00 0.00 0.00 0.00 19.45 19.21 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 -1.66 2.71 -0.02 0.00 0.00 -1.26 -3.88 120.51 116.40 2c7h n ALA 47 Ca 0.03 -0.30 -0.03 0.00 0.00 0.00 0.00 53.44 53.14 2c7h n ALA 47 Cb 0.20 -1.32 -0.02 0.00 0.00 0.00 0.00 19.45 18.31 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 -0.66 3.72 -4.12 0.00 2.03 -0.72 -4.93 116.55 111.87 2c7h n ASP 48 Ca 0.18 -0.02 -0.08 0.00 0.52 0.00 0.00 54.79 55.38 2c7h n ASP 48 Cb 0.26 -0.04 -0.10 0.00 -0.72 0.00 0.00 41.12 40.53 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 -2.97 4.28 -0.30 0.00 2.15 0.19 -4.11 116.67 115.90 2c7h s ASP 50 Ca 0.11 -1.05 -0.02 0.00 0.43 0.00 0.00 52.55 52.02 2c7h s ASP 50 Cb 0.07 -0.51 0.05 0.00 -0.30 0.00 0.00 42.92 42.23 2c7h s ASP 50 CO -0.07 -0.38 0.00 -0.22 -0.17 0.00 0.00 175.17 174.33 2c7h s LEU 51 N -3.80 3.92 -0.26 -1.34 2.96 -1.26 -0.48 118.68 118.43 2c7h s LEU 51 Ca 0.37 -1.28 -0.16 0.00 -0.22 0.00 0.00 54.13 52.84 2c7h s LEU 51 Cb 0.02 -1.72 -0.03 0.00 0.50 0.00 0.00 46.19 44.96 2c7h s LEU 51 CO 0.21 -0.27 0.43 -1.58 -1.32 0.00 0.00 176.35 173.83 2c7h s GLN 52 N 1.25 4.06 -0.15 1.98 0.74 0.19 -4.92 119.66 122.81 2c7h s GLN 52 Ca -0.05 0.18 -0.03 0.00 0.05 0.00 0.00 55.36 55.51 2c7h s GLN 52 Cb -0.20 -3.64 -0.03 0.00 1.10 0.00 0.00 33.01 30.25 2c7h s GLN 52 CO -0.01 -0.27 -0.04 0.42 -0.55 0.00 0.00 175.29 174.84 2c7h s ILE 53 N 2.05 3.90 0.09 -2.34 -1.09 -1.26 -0.42 121.20 122.14 2c7h s ILE 53 Ca 0.18 -0.36 0.10 0.00 -2.23 0.00 0.00 60.65 58.34 2c7h s ILE 53 Cb -0.16 -2.70 -0.03 0.00 -1.58 0.00 0.00 42.46 37.99 2c7h s ILE 53 CO 0.09 0.50 -0.26 -0.89 -1.23 0.00 0.00 174.94 173.15 2c7h s THR 54 N 0.25 2.17 0.22 2.92 2.01 0.39 -0.38 115.64 123.22 2c7h s THR 54 Ca -0.03 -1.58 -0.30 0.00 0.31 0.00 0.00 61.69 60.09 2c7h s THR 54 Cb -0.14 -1.89 -0.08 0.00 0.01 0.00 0.00 72.50 70.39 2c7h s THR 54 CO 0.03 0.20 0.99 0.21 -0.69 0.00 0.00 174.62 175.36 2c7h s ASN 55 N -1.69 7.50 0.31 3.53 3.84 0.54 0.86 114.94 129.83 2c7h s ASN 55 Ca 0.13 2.01 0.18 0.00 0.21 0.00 0.00 52.86 55.38 2c7h s ASN 55 Cb -0.10 -2.61 0.14 0.00 -0.55 0.00 0.00 41.25 38.13 2c7h s ASN 55 CO 0.04 0.02 1.43 0.00 -2.79 0.00 0.00 177.10 175.80 2c7h h ALA 56 N 4.42 0.77 0.00 1.71 0.00 -1.68 -2.10 119.26 122.38 2c7h h ALA 56 Ca -0.45 -0.30 -0.30 0.00 0.00 0.00 0.00 54.91 53.86 2c7h h ALA 56 Cb 1.21 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.93 2c7h h ALA 56 CO 0.69 0.40 -1.79 1.04 0.00 0.00 0.00 179.25 179.59 2c7h n GLN 57 N -3.12 0.56 0.09 0.00 6.02 -1.26 -4.45 117.38 115.22 2c7h n GLN 57 Ca 0.02 0.38 0.12 0.00 -0.01 0.00 0.00 57.00 57.51 2c7h n GLN 57 Cb 0.66 -1.59 0.05 0.00 1.02 0.00 0.00 30.24 30.38 2c7h n GLN 57 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.06 177.84 2c7h h THR 58 N -1.00 0.00 -1.33 5.09 1.35 -1.93 -3.47 112.91 111.62 2c7h h THR 58 Ca -0.45 -0.83 -0.31 0.00 -0.55 0.00 0.00 66.41 64.27 2c7h h THR 58 Cb 1.36 1.34 -0.08 0.00 -1.73 0.00 0.00 68.15 69.04 2c7h h THR 58 CO -0.28 0.00 -0.33 0.29 -0.25 0.00 0.00 175.52 174.95 2c7h n LYS 59 N -2.49 -1.13 -2.95 4.72 4.76 -0.79 -4.98 118.16 115.31 2c7h n LYS 59 Ca 0.01 0.92 -0.40 0.00 -2.87 0.00 0.00 58.31 55.96 2c7h n LYS 59 Cb 0.51 -5.15 -0.04 0.00 -1.84 0.00 0.00 35.03 28.51 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 -3.91 4.46 -0.11 1.97 2.56 -1.25 -4.68 118.70 117.73 2c7h s GLU 60 Ca 0.00 1.03 -0.24 0.00 0.00 0.00 0.00 54.97 55.76 2c7h s GLU 60 Cb 0.00 -3.46 -0.03 0.00 2.00 0.00 0.00 34.13 32.64 2c7h s GLU 60 CO 0.00 0.00 0.75 -1.21 -0.56 0.00 0.00 175.26 174.24 2c7h s GLU 61 N 0.97 4.38 -0.87 4.30 2.02 -1.26 -0.34 118.70 127.89 2c7h s GLU 61 Ca 0.41 0.92 -0.23 0.00 0.02 0.00 0.00 54.97 56.10 2c7h s GLU 61 Cb -0.18 -3.50 0.07 0.00 0.10 0.00 0.00 34.13 30.62 2c7h s GLU 61 CO 0.20 -0.09 1.23 0.71 0.02 0.00 0.00 175.26 177.34 2c7h s TYR 62 N 1.32 2.67 -0.06 1.61 2.02 0.49 -4.79 117.35 120.62 2c7h s TYR 62 Ca 0.38 -0.78 0.13 0.00 -0.37 0.00 0.00 57.07 56.43 2c7h s TYR 62 Cb -0.17 -4.49 -0.18 0.00 -0.40 0.00 0.00 41.96 36.71 2c7h s TYR 62 CO 0.16 -1.79 0.83 1.79 -1.57 0.00 0.00 175.55 174.98 2c7h h THR 63 N 6.23 0.84 -2.81 -0.71 1.35 -1.94 -3.39 112.91 112.48 2c7h h THR 63 Ca -0.00 -2.53 -0.64 0.00 -0.55 0.00 0.00 66.41 62.69 2c7h h THR 63 Cb 1.03 2.34 -0.05 0.00 -1.73 0.00 0.00 68.15 69.75 2c7h h THR 63 CO 1.27 0.48 -0.49 -0.62 -0.25 0.00 0.00 175.52 175.90 2c7h s ASP 64 N -6.08 6.38 0.00 5.36 2.15 -1.26 -4.97 116.67 118.24 2c7h s ASP 64 Ca -0.03 0.36 0.20 0.00 0.43 0.00 0.00 52.55 53.51 2c7h s ASP 64 Cb 0.08 -2.01 1.01 0.00 -0.30 0.00 0.00 42.92 41.71 2c7h s ASP 64 CO 0.82 0.26 1.63 0.47 -0.17 0.00 0.00 175.17 178.18 2c7h n ASP 65 N 0.95 0.00 0.03 -0.34 9.92 -1.26 -1.65 116.55 124.20 2c7h n ASP 65 Ca -0.11 0.03 0.13 0.00 -0.53 0.00 0.00 54.79 54.31 2c7h n ASP 65 Cb 0.53 -0.30 0.36 0.00 -0.64 0.00 0.00 41.12 41.06 2c7h n ASP 65 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 2c7h n ASN 66 N -1.30 0.44 -4.62 -2.24 0.23 -1.26 -1.77 115.26 104.74 2c7h n ASN 66 Ca 0.09 0.16 -0.43 0.00 -0.53 0.00 0.00 54.58 53.87 2c7h n ASN 66 Cb 0.16 -0.12 -0.03 0.00 -2.08 0.00 0.00 39.78 37.72 2c7h n ASN 66 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2c7h s ALA 67 N -3.05 3.08 0.01 -2.53 0.00 -0.66 -4.43 121.76 114.18 2c7h s ALA 67 Ca 0.11 0.97 -0.17 0.00 0.00 0.00 0.00 51.96 52.86 2c7h s ALA 67 Cb 0.16 -3.98 -0.06 0.00 0.00 0.00 0.00 23.12 19.25 2c7h s ALA 67 CO 0.64 -2.29 0.48 -0.48 0.00 0.00 0.00 175.76 174.11 2c7h s LEU 68 N 6.69 4.47 -0.25 0.00 0.05 -1.26 0.16 118.68 128.54 2c7h s LEU 68 Ca 0.94 1.06 -0.02 0.00 0.05 0.00 0.00 54.13 56.16 2c7h s LEU 68 Cb -0.36 -2.72 0.02 0.00 -2.05 0.00 0.00 46.19 41.09 2c7h s LEU 68 CO 0.37 0.26 -0.06 -0.63 -0.55 0.00 0.00 176.35 175.75 2c7h s ILE 69 N -0.86 2.95 0.60 1.48 1.09 0.14 -4.89 121.20 121.70 2c7h s ILE 69 Ca 0.26 -0.97 -0.12 0.00 -1.10 0.00 0.00 60.65 58.71 2c7h s ILE 69 Cb -0.18 -2.48 -0.05 0.00 -1.06 0.00 0.00 42.46 38.70 2c7h s ILE 69 CO 0.15 0.21 1.02 -2.16 -0.10 0.00 0.00 174.94 174.07 2c7h s PRO 70 N 1.34 3.64 0.00 2.79 0.04 -1.26 -0.79 135.00 140.77 2c7h s PRO 70 Ca 0.01 0.82 0.13 0.00 0.04 0.00 0.00 61.00 62.00 2c7h s PRO 70 Cb -0.16 -2.09 0.69 0.00 0.04 0.00 0.00 34.50 32.98 2c7h s PRO 70 CO -0.04 -0.53 1.30 0.36 0.04 0.00 0.00 177.00 178.13 2c7h n LYS 71 N -2.46 0.24 0.02 4.56 2.85 -0.51 -1.76 118.16 121.09 2c7h n LYS 71 Ca 0.06 0.12 0.13 0.00 -1.05 0.00 0.00 58.31 57.57 2c7h n LYS 71 Cb 0.54 -1.50 0.34 0.00 -0.65 0.00 0.00 35.03 33.76 2c7h n LYS 71 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2c7h n ASN 72 N -1.22 0.42 -4.46 -5.58 3.02 -1.26 -4.65 115.26 101.54 2c7h n ASN 72 Ca 0.07 0.04 -0.27 0.00 -0.03 0.00 0.00 54.58 54.39 2c7h n ASN 72 Cb 0.09 -0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.14 2c7h n ASN 72 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2c7h s SER 73 N -3.29 3.62 -0.14 6.41 0.01 -0.72 -5.09 113.70 114.51 2c7h s SER 73 Ca 0.11 -0.80 -0.03 0.00 1.31 0.00 0.00 55.95 56.54 2c7h s SER 73 Cb 0.17 -0.36 -0.03 0.00 0.21 0.00 0.00 66.02 66.01 2c7h s SER 73 CO 0.66 0.12 -0.04 -0.44 0.41 0.00 0.00 173.24 173.94 2c7h s SER 74 N -2.72 4.76 0.18 2.44 0.01 -1.26 -3.76 113.70 113.35 2c7h s SER 74 Ca 0.22 -0.11 0.08 0.00 1.31 0.00 0.00 55.95 57.45 2c7h s SER 74 Cb -0.08 -1.68 -0.04 0.00 0.21 0.00 0.00 66.02 64.42 2c7h s SER 74 CO 0.11 0.21 -0.16 0.68 0.41 0.00 0.00 173.24 174.49 2c7h s VAL 75 N 0.14 1.74 -0.22 3.43 -7.23 -0.18 -1.85 120.40 116.24 2c7h s VAL 75 Ca -0.02 -2.04 -0.11 0.00 -1.81 0.00 0.00 61.98 58.00 2c7h s VAL 75 Cb -0.14 -1.91 -0.05 0.00 0.56 0.00 0.00 36.38 34.84 2c7h s VAL 75 CO 0.03 -0.46 0.18 -0.63 -0.31 0.00 0.00 175.10 173.91 2c7h s ILE 76 N -2.49 5.36 -0.30 -0.62 -1.09 0.25 -1.81 121.20 120.50 2c7h s ILE 76 Ca 0.18 0.26 -0.07 0.00 -2.23 0.00 0.00 60.65 58.79 2c7h s ILE 76 Cb -0.03 -3.52 0.01 0.00 -1.58 0.00 0.00 42.46 37.34 2c7h s ILE 76 CO 0.06 0.38 0.08 -0.69 -1.23 0.00 0.00 174.94 173.54 2c7h s VAL 77 N 0.78 3.95 -0.04 2.92 1.01 0.57 -0.46 120.40 129.13 2c7h s VAL 77 Ca 0.09 -0.74 0.06 0.00 0.00 0.00 0.00 61.98 61.40 2c7h s VAL 77 Cb -0.13 -3.06 -0.02 0.00 0.00 0.00 0.00 36.38 33.18 2c7h s VAL 77 CO 0.02 0.05 -0.23 -0.60 0.00 0.00 0.00 175.10 174.35 2c7h s ARG 78 N 1.49 2.34 -0.23 2.72 3.52 0.44 -1.02 118.95 128.22 2c7h s ARG 78 Ca 0.02 -0.86 -0.17 0.00 -0.13 0.00 0.00 55.73 54.59 2c7h s ARG 78 Cb -0.17 -2.17 -0.03 0.00 -1.56 0.00 0.00 34.95 31.01 2c7h s ARG 78 CO 0.02 0.52 0.46 0.50 -0.81 0.00 0.00 175.30 176.00 2c7h s ARG 79 N -0.51 4.13 0.16 5.12 3.52 -1.26 0.55 118.95 130.65 2c7h s ARG 79 Ca 0.07 0.27 0.09 0.00 -0.13 0.00 0.00 55.73 56.02 2c7h s ARG 79 Cb -0.11 -3.59 -0.04 0.00 -1.56 0.00 0.00 34.95 29.65 2c7h s ARG 79 CO 0.01 -0.18 -0.20 0.96 -0.81 0.00 0.00 175.30 175.08 2c7h s ILE 80 N 1.75 1.90 0.23 4.11 -5.25 0.37 -4.91 121.20 119.40 2c7h s ILE 80 Ca 0.20 -1.85 -0.30 0.00 -0.99 0.00 0.00 60.65 57.71 2c7h s ILE 80 Cb -0.15 -1.83 -0.09 0.00 2.95 0.00 0.00 42.46 43.33 2c7h s ILE 80 CO 0.09 -0.22 1.25 -2.16 -1.79 0.00 0.00 174.94 172.11 2c7h s PRO 81 N -2.57 4.44 0.47 0.37 0.04 -1.26 0.54 135.00 137.03 2c7h s PRO 81 Ca 0.15 2.00 0.27 0.00 0.04 0.00 0.00 61.00 63.45 2c7h s PRO 81 Cb -0.07 -3.19 0.95 0.00 0.04 0.00 0.00 34.50 32.23 2c7h s PRO 81 CO 0.07 -0.14 1.83 -0.84 0.04 0.00 0.00 177.00 177.96 2c7h h ILE 82 N 3.55 0.32 0.00 0.56 3.07 -1.83 -3.43 117.51 119.74 2c7h h ILE 82 Ca -0.46 -0.97 0.00 0.00 1.55 0.00 0.00 64.86 64.99 2c7h h ILE 82 Cb 1.22 1.75 0.00 0.00 -0.27 0.00 0.00 36.82 39.51 2c7h h ILE 82 CO 0.73 0.13 0.00 0.61 -1.05 0.00 0.00 178.15 178.58 2c7h n GLY 83 N 0.29 2.63 0.00 0.16 0.00 -1.26 -4.51 105.19 102.50 2c7h n GLY 83 Ca 0.01 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 2.88 3.43 -0.02 0.00 -1.26 -4.96 105.19 105.27 2c7h n GLY 84 Ca 0.00 -0.78 -0.35 0.00 0.00 0.00 0.00 46.02 44.89 2c7h n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2c7h s VAL 85 N 0.00 3.85 -2.53 1.61 0.11 -1.26 -5.10 120.40 117.09 2c7h s VAL 85 Ca 0.00 -0.35 0.28 0.00 -2.93 0.00 0.00 61.98 58.98 2c7h s VAL 85 Cb 0.00 -2.74 0.53 0.00 -1.53 0.00 0.00 36.38 32.65 2c7h s VAL 85 CO 0.00 0.44 1.72 0.29 -3.33 0.00 0.00 175.10 174.22