#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c7h n PRO 2 N 0.00 -0.55 -1.68 1.61 -0.04 -1.26 -4.88 135.00 128.20 2c7h n PRO 2 Ca 0.00 -0.09 -0.46 0.00 -0.04 0.00 0.00 63.50 62.92 2c7h n PRO 2 Cb 0.00 -0.07 -0.04 0.00 -0.04 0.00 0.00 33.50 33.35 2c7h n PRO 2 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2c7h n LEU 3 N 0.00 3.59 0.00 1.53 7.94 -1.26 -3.49 117.00 125.31 2c7h n LEU 3 Ca 0.01 1.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.90 2c7h n LEU 3 Cb 0.03 -1.45 0.00 0.00 0.53 0.00 0.00 43.42 42.53 2c7h n LEU 3 CO 0.02 -0.03 0.00 0.61 -1.11 0.00 0.00 177.39 176.88 2c7h n GLY 4 N 4.13 0.83 0.91 -3.96 0.00 -1.26 -5.01 105.19 100.82 2c7h n GLY 4 Ca 0.20 -0.03 0.07 0.00 0.00 0.00 0.00 46.02 46.26 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 0.00 3.64 -0.82 1.61 7.64 -1.23 -4.89 113.62 119.58 2c7h n SER 5 Ca 0.00 -2.50 0.01 0.00 1.01 0.00 0.00 58.87 57.40 2c7h n SER 5 Cb 0.00 -0.42 -0.00 0.00 -1.01 0.00 0.00 64.21 62.78 2c7h n SER 5 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 2c7h n MET 6 N 0.19 -0.20 -3.95 1.43 2.81 -1.26 -4.82 117.12 111.31 2c7h n MET 6 Ca 0.18 0.13 -0.24 0.00 -1.81 0.00 0.00 57.70 55.96 2c7h n MET 6 Cb 0.70 -0.25 -0.17 0.00 -0.71 0.00 0.00 33.22 32.79 2c7h n MET 6 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 2c7h s SER 7 N -4.19 1.75 -0.08 7.83 0.01 -1.22 -5.04 113.70 112.77 2c7h s SER 7 Ca 0.00 -0.20 -0.11 0.00 1.31 0.00 0.00 55.95 56.95 2c7h s SER 7 Cb 0.00 -0.64 0.03 0.00 0.21 0.00 0.00 66.02 65.62 2c7h s SER 7 CO 0.00 -0.12 0.29 0.00 0.41 0.00 0.00 173.24 173.82 2c7h s VAL 9 N -0.34 4.37 -0.39 0.00 1.01 -0.90 -4.58 120.40 119.57 2c7h s VAL 9 Ca -0.05 -0.19 -0.29 0.00 0.00 0.00 0.00 61.98 61.45 2c7h s VAL 9 Cb -0.03 -2.93 0.02 0.00 0.00 0.00 0.00 36.38 33.44 2c7h s VAL 9 CO 0.01 0.50 1.25 -1.00 0.00 0.00 0.00 175.10 175.86 2c7h s HIS 10 N 0.11 2.72 0.00 5.22 3.76 -1.25 -2.04 115.29 123.81 2c7h s HIS 10 Ca 0.02 0.82 0.03 0.00 -0.15 0.00 0.00 55.06 55.78 2c7h s HIS 10 Cb -0.13 -4.16 -0.01 0.00 1.11 0.00 0.00 32.58 29.40 2c7h s HIS 10 CO 0.02 -1.50 -0.10 1.52 -0.85 0.00 0.00 174.74 173.82 2c7h s TYR 11 N 4.58 0.92 0.02 1.40 1.13 -0.27 -0.84 117.35 124.29 2c7h s TYR 11 Ca 0.53 -0.21 0.09 0.00 -1.41 0.00 0.00 57.07 56.06 2c7h s TYR 11 Cb -0.12 -0.58 -0.02 0.00 -1.10 0.00 0.00 41.96 40.13 2c7h s TYR 11 CO 0.27 -0.01 -0.26 -1.59 -2.51 0.00 0.00 175.55 171.46 2c7h s LYS 12 N -0.45 1.89 0.49 -3.49 -2.85 -0.77 0.54 119.74 115.08 2c7h s LYS 12 Ca 0.03 -1.01 -0.10 0.00 -1.00 0.00 0.00 55.97 53.89 2c7h s LYS 12 Cb -0.05 -1.95 -0.05 0.00 -2.06 0.00 0.00 37.83 33.72 2c7h s LYS 12 CO -0.00 0.52 0.85 0.12 0.10 0.00 0.00 175.35 176.94 2c7h s PHE 13 N -0.71 3.53 0.50 1.78 2.19 -1.26 0.13 117.98 124.15 2c7h s PHE 13 Ca 0.11 1.08 0.21 0.00 0.33 0.00 0.00 56.93 58.66 2c7h s PHE 13 Cb -0.10 -2.50 1.29 0.00 -1.31 0.00 0.00 43.02 40.40 2c7h s PHE 13 CO 0.01 -0.31 2.00 0.77 1.83 0.00 0.00 175.22 179.52 2c7h h SER 14 N 0.58 0.10 0.00 6.13 0.02 -1.73 -0.75 113.55 117.89 2c7h h SER 14 Ca -0.46 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 2c7h h SER 14 Cb 1.19 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.72 2c7h h SER 14 CO 0.62 0.06 -0.04 -1.20 -1.14 0.00 0.00 176.83 175.13 2c7h n SER 15 N -4.42 1.96 0.02 3.07 7.64 -1.26 -4.52 113.62 116.11 2c7h n SER 15 Ca 0.09 -2.59 -0.06 0.00 1.01 0.00 0.00 58.87 57.31 2c7h n SER 15 Cb 0.50 -0.27 -0.11 0.00 -1.01 0.00 0.00 64.21 63.32 2c7h n SER 15 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 2c7h h LYS 16 N 0.00 0.00 0.00 1.43 1.63 -1.50 -3.47 116.57 114.66 2c7h h LYS 16 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2c7h h LYS 16 Cb 0.88 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.51 2c7h h LYS 16 CO 0.00 0.63 0.00 -0.11 -3.45 0.00 0.00 179.45 176.52 2c7h n LEU 17 N -3.13 0.00 -4.93 5.20 7.94 -1.18 -4.85 117.00 116.05 2c7h n LEU 17 Ca -0.09 0.00 -0.29 0.00 -1.11 0.00 0.00 56.01 54.52 2c7h n LEU 17 Cb 0.96 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.88 2c7h n LEU 17 CO 0.45 0.00 -0.07 0.54 -1.11 0.00 0.00 177.39 177.20 2c7h s ASN 18 N 0.00 6.37 0.34 1.96 2.20 -1.26 -4.95 114.94 119.60 2c7h s ASN 18 Ca 0.00 0.31 -0.27 0.00 -0.94 0.00 0.00 52.86 51.96 2c7h s ASN 18 Cb 0.00 -1.97 -0.09 0.00 -2.00 0.00 0.00 41.25 37.19 2c7h s ASN 18 CO 0.00 0.07 1.07 -0.31 -2.94 0.00 0.00 177.10 174.99 2c7h s TYR 19 N -1.68 3.45 0.53 1.54 1.51 -1.26 -4.50 117.35 116.93 2c7h s TYR 19 Ca 0.36 1.68 0.03 0.00 -1.01 0.00 0.00 57.07 58.14 2c7h s TYR 19 Cb -0.12 -3.20 0.01 0.00 -0.11 0.00 0.00 41.96 38.55 2c7h s TYR 19 CO 0.28 -0.55 0.19 0.34 -1.11 0.00 0.00 175.55 174.70 2c7h s ASP 20 N -1.22 4.37 -0.08 2.29 -1.08 0.19 -4.89 116.67 116.25 2c7h s ASP 20 Ca 0.51 -1.47 -0.03 0.00 -0.52 0.00 0.00 52.55 51.03 2c7h s ASP 20 Cb -0.27 0.50 0.04 0.00 -1.46 0.00 0.00 42.92 41.73 2c7h s ASP 20 CO 0.34 -0.99 0.08 0.42 0.52 0.00 0.00 175.17 175.55 2c7h s THR 21 N -2.83 -0.12 -0.29 1.71 -4.23 -1.25 -1.11 115.64 107.51 2c7h s THR 21 Ca 0.18 0.27 -0.16 0.00 -1.18 0.00 0.00 61.69 60.80 2c7h s THR 21 Cb -0.00 -0.28 -0.03 0.00 1.34 0.00 0.00 72.50 73.53 2c7h s THR 21 CO 0.11 0.06 0.40 0.54 -0.54 0.00 0.00 174.62 175.19 2c7h s VAL 22 N 2.18 5.14 -0.11 2.29 0.11 -0.87 -4.85 120.40 124.30 2c7h s VAL 22 Ca 0.04 0.49 -0.24 0.00 -2.93 0.00 0.00 61.98 59.34 2c7h s VAL 22 Cb -0.13 -3.76 -0.03 0.00 -1.53 0.00 0.00 36.38 30.93 2c7h s VAL 22 CO -0.05 0.07 0.76 0.42 -3.33 0.00 0.00 175.10 172.97 2c7h s THR 23 N 2.12 4.98 0.30 5.04 -4.23 -1.26 -2.12 115.64 120.47 2c7h s THR 23 Ca 0.15 1.52 0.02 0.00 -1.18 0.00 0.00 61.69 62.21 2c7h s THR 23 Cb -0.16 -4.08 -0.02 0.00 1.34 0.00 0.00 72.50 69.58 2c7h s THR 23 CO 0.11 0.16 0.29 0.72 -0.54 0.00 0.00 174.62 175.36 2c7h s PHE 24 N 1.35 1.39 0.03 3.99 -0.71 0.41 -4.99 117.98 119.45 2c7h s PHE 24 Ca 0.38 -1.47 0.06 0.00 -1.04 0.00 0.00 56.93 54.86 2c7h s PHE 24 Cb -0.17 -0.49 -0.03 0.00 -1.21 0.00 0.00 43.02 41.11 2c7h s PHE 24 CO 0.16 -0.88 -0.15 0.16 -1.34 0.00 0.00 175.22 173.18 2c7h s ASP 25 N -3.27 4.03 0.00 1.98 -4.77 -1.26 -3.41 116.67 109.97 2c7h s ASP 25 Ca 0.37 -0.34 0.00 0.00 -3.30 0.00 0.00 52.55 49.28 2c7h s ASP 25 Cb 0.03 -0.75 0.00 0.00 -1.09 0.00 0.00 42.92 41.11 2c7h s ASP 25 CO 0.21 0.27 0.00 0.61 0.70 0.00 0.00 175.17 176.96 2c7h n GLY 26 N 1.58 -1.37 0.10 2.12 0.00 -1.26 -4.78 105.19 101.59 2c7h n GLY 26 Ca -0.16 -2.24 -0.13 0.00 0.00 0.00 0.00 46.02 43.50 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 0.18 -8.33 0.99 5.85 -1.97 -3.44 115.31 108.60 2c7h h LEU 27 Ca 0.00 -0.32 -0.17 0.00 0.84 0.00 0.00 57.88 58.23 2c7h h LEU 27 Cb 0.00 -0.06 -0.15 0.00 0.37 0.00 0.00 40.66 40.82 2c7h h LEU 27 CO 0.00 1.28 -0.69 -1.38 -0.34 0.00 0.00 178.44 177.31 2c7h s HIS 28 N -2.61 0.68 -0.07 1.25 -3.43 -1.26 -1.07 115.29 108.77 2c7h s HIS 28 Ca -0.08 -0.99 0.02 0.00 -0.80 0.00 0.00 55.06 53.20 2c7h s HIS 28 Cb 0.08 -0.44 0.01 0.00 -1.43 0.00 0.00 32.58 30.80 2c7h s HIS 28 CO 0.82 -0.27 -0.12 -1.50 -2.00 0.00 0.00 174.74 171.67 2c7h s ILE 29 N -3.76 1.18 0.54 -5.38 2.07 0.17 -4.92 121.20 111.11 2c7h s ILE 29 Ca 0.09 -0.49 -0.21 0.00 -1.41 0.00 0.00 60.65 58.63 2c7h s ILE 29 Cb 0.07 -1.09 -0.05 0.00 0.13 0.00 0.00 42.46 41.52 2c7h s ILE 29 CO -0.08 0.37 1.30 -0.44 -1.91 0.00 0.00 174.94 174.19 2c7h s SER 30 N 0.79 5.36 0.22 4.50 0.01 -1.26 0.15 113.70 123.48 2c7h s SER 30 Ca -0.12 2.64 -0.08 0.00 1.31 0.00 0.00 55.95 59.70 2c7h s SER 30 Cb -0.15 -2.62 0.23 0.00 0.21 0.00 0.00 66.02 63.68 2c7h s SER 30 CO 0.02 -1.50 1.87 0.25 0.41 0.00 0.00 173.24 174.29 2c7h h LEU 31 N 1.43 0.85 -0.55 2.44 5.85 0.74 0.30 115.31 126.38 2c7h h LEU 31 Ca -0.51 -0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.27 2c7h h LEU 31 Cb 1.29 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 42.08 2c7h h LEU 31 CO 0.57 0.59 0.26 0.00 -0.34 0.00 0.00 178.44 179.52 2c7h h ASP 33 N 0.50 0.45 -0.25 0.00 3.32 -1.55 -2.10 116.42 116.79 2c7h h ASP 33 Ca 0.25 -0.27 -0.02 0.00 0.02 0.00 0.00 57.03 57.00 2c7h h ASP 33 Cb 0.19 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 2c7h h ASP 33 CO -0.19 0.61 0.07 0.25 -1.72 0.00 0.00 179.24 178.26 2c7h h LEU 34 N 0.28 0.38 -0.66 1.55 6.46 0.06 -0.54 115.31 122.84 2c7h h LEU 34 Ca 0.08 -0.22 -0.06 0.00 -0.12 0.00 0.00 57.88 57.57 2c7h h LEU 34 Cb 0.36 -0.10 -0.03 0.00 -0.73 0.00 0.00 40.66 40.16 2c7h h LEU 34 CO 0.01 0.50 0.19 0.11 -0.62 0.00 0.00 178.44 178.63 2c7h h LYS 35 N 0.24 1.03 -0.60 1.25 1.57 -0.58 -1.14 116.57 118.34 2c7h h LYS 35 Ca 0.08 -0.23 -0.04 0.00 -1.87 0.00 0.00 60.65 58.59 2c7h h LYS 35 Cb 0.26 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.40 2c7h h LYS 35 CO -0.00 0.91 0.21 0.87 -0.57 0.00 0.00 179.45 180.87 2c7h h LYS 36 N 0.96 0.88 0.06 3.15 6.56 -1.12 0.44 116.57 127.50 2c7h h LYS 36 Ca 0.21 -0.15 -0.00 0.00 -1.06 0.00 0.00 60.65 59.65 2c7h h LYS 36 Cb 0.31 -0.15 0.00 0.00 -0.57 0.00 0.00 32.23 31.83 2c7h h LYS 36 CO -0.00 0.74 -0.03 1.96 -2.06 0.00 0.00 179.45 180.06 2c7h h GLN 37 N 0.86 -0.07 -0.09 3.15 1.08 -0.60 -1.43 115.11 118.02 2c7h h GLN 37 Ca 0.20 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.37 2c7h h GLN 37 Cb 0.20 0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.65 2c7h h GLN 37 CO -0.01 0.07 -0.08 0.82 -0.95 0.00 0.00 178.83 178.68 2c7h h ILE 38 N -0.20 1.36 -0.23 2.54 2.04 -0.89 -1.39 117.51 120.73 2c7h h ILE 38 Ca -0.01 -1.24 -0.07 0.00 1.00 0.00 0.00 64.86 64.54 2c7h h ILE 38 Cb 0.18 2.00 -0.01 0.00 -0.74 0.00 0.00 36.82 38.24 2c7h h ILE 38 CO 0.01 0.35 -0.17 0.24 0.00 0.00 0.00 178.15 178.58 2c7h h MET 39 N -0.21 0.40 -0.10 2.37 2.86 -0.19 -0.61 114.93 119.45 2c7h h MET 39 Ca 0.01 -0.12 -0.12 0.00 -2.06 0.00 0.00 59.70 57.41 2c7h h MET 39 Cb 0.60 -0.04 0.01 0.00 0.06 0.00 0.00 31.60 32.22 2c7h h MET 39 CO 0.02 0.56 -0.42 0.78 1.06 0.00 0.00 176.91 178.92 2c7h h GLY 40 N 0.92 0.50 0.96 8.32 0.00 -1.24 0.60 103.07 113.14 2c7h h GLY 40 Ca 0.07 -0.69 -0.00 0.00 0.00 0.00 0.00 47.33 46.70 2c7h h GLY 40 CO 0.03 0.62 -0.05 -0.09 0.00 0.00 0.00 176.54 177.05 2c7h h ARG 41 N 0.03 -0.11 -0.03 4.80 2.43 -0.83 -2.56 114.38 118.11 2c7h h ARG 41 Ca -0.02 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2c7h h ARG 41 Cb 1.06 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 2c7h h ARG 41 CO 0.09 -0.07 0.00 0.39 -1.51 0.00 0.00 179.97 178.86 2c7h n GLU 42 N -5.15 1.85 -2.98 0.20 -0.58 -0.27 -4.95 120.64 108.75 2c7h n GLU 42 Ca -0.07 -1.24 -0.01 0.00 -0.42 0.00 0.00 57.16 55.42 2c7h n GLU 42 Cb 0.08 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.48 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 0.50 -1.37 -4.10 3.49 4.01 -0.81 -5.04 118.16 114.85 2c7h n LYS 43 Ca 0.18 1.52 -0.34 0.00 -0.51 0.00 0.00 58.31 59.16 2c7h n LYS 43 Cb 0.42 -5.60 -0.07 0.00 -0.51 0.00 0.00 35.03 29.27 2c7h n LYS 43 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2c7h s LEU 44 N -3.80 3.94 -0.55 -0.35 1.02 0.20 -5.01 118.68 114.13 2c7h s LEU 44 Ca 0.02 0.19 -0.20 0.00 0.02 0.00 0.00 54.13 54.17 2c7h s LEU 44 Cb -0.01 -2.21 0.07 0.00 0.02 0.00 0.00 46.19 44.06 2c7h s LEU 44 CO 0.72 0.30 0.71 -1.59 0.02 0.00 0.00 176.35 176.52 2c7h s LYS 45 N -1.57 3.12 0.35 1.70 -2.85 -1.26 -4.69 119.74 114.55 2c7h s LYS 45 Ca 0.21 -0.93 0.27 0.00 -1.00 0.00 0.00 55.97 54.52 2c7h s LYS 45 Cb -0.12 -4.15 1.08 0.00 -2.06 0.00 0.00 37.83 32.58 2c7h s LYS 45 CO 0.12 -1.40 1.80 0.00 0.10 0.00 0.00 175.35 175.97 2c7h h ALA 46 N 9.14 1.00 -0.05 0.59 0.00 -1.94 -0.79 119.26 127.20 2c7h h ALA 46 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2c7h h ALA 46 Cb 1.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2c7h h ALA 46 CO 1.04 0.00 0.00 0.00 0.00 0.00 0.00 179.25 180.29 2c7h n ALA 47 N -1.88 2.58 0.00 0.00 0.00 -1.26 -3.90 120.51 116.04 2c7h n ALA 47 Ca 0.02 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.07 2c7h n ALA 47 Cb 0.27 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.50 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 -0.10 3.86 -4.11 0.00 2.03 -0.76 -5.00 116.55 112.47 2c7h n ASP 48 Ca 0.18 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.37 2c7h n ASP 48 Cb 0.27 0.15 -0.11 0.00 -0.72 0.00 0.00 41.12 40.71 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 -2.12 5.15 -0.38 0.00 2.15 0.17 -4.01 116.67 117.62 2c7h s ASP 50 Ca -0.01 -0.40 -0.08 0.00 0.43 0.00 0.00 52.55 52.48 2c7h s ASP 50 Cb -0.05 -1.19 0.05 0.00 -0.30 0.00 0.00 42.92 41.44 2c7h s ASP 50 CO -0.01 -0.02 0.18 -0.22 -0.17 0.00 0.00 175.17 174.93 2c7h s LEU 51 N -3.77 4.71 -0.40 -1.34 2.96 -1.26 -0.78 118.68 118.80 2c7h s LEU 51 Ca 0.32 -1.26 -0.12 0.00 -0.22 0.00 0.00 54.13 52.85 2c7h s LEU 51 Cb -0.07 -1.94 0.04 0.00 0.50 0.00 0.00 46.19 44.72 2c7h s LEU 51 CO 0.23 -0.42 0.25 -1.58 -1.32 0.00 0.00 176.35 173.51 2c7h s GLN 52 N 1.43 2.83 -0.08 1.98 0.74 0.87 -4.95 119.66 122.49 2c7h s GLN 52 Ca 0.01 -1.15 -0.14 0.00 0.05 0.00 0.00 55.36 54.13 2c7h s GLN 52 Cb -0.21 -3.83 -0.05 0.00 1.10 0.00 0.00 33.01 30.03 2c7h s GLN 52 CO 0.03 -0.78 0.36 0.42 -0.55 0.00 0.00 175.29 174.77 2c7h s ILE 53 N 1.57 5.18 0.12 -2.34 -1.09 -1.23 -1.60 121.20 121.81 2c7h s ILE 53 Ca 0.03 0.71 0.10 0.00 -2.23 0.00 0.00 60.65 59.26 2c7h s ILE 53 Cb -0.20 -3.68 -0.04 0.00 -1.58 0.00 0.00 42.46 36.97 2c7h s ILE 53 CO 0.07 0.49 -0.24 -0.89 -1.23 0.00 0.00 174.94 173.13 2c7h s THR 54 N -0.34 2.43 0.29 2.92 2.01 0.11 0.53 115.64 123.60 2c7h s THR 54 Ca 0.21 -1.63 -0.29 0.00 0.31 0.00 0.00 61.69 60.28 2c7h s THR 54 Cb -0.15 -2.08 -0.10 0.00 0.01 0.00 0.00 72.50 70.19 2c7h s THR 54 CO 0.09 0.13 1.15 0.21 -0.69 0.00 0.00 174.62 175.51 2c7h s ASN 55 N -1.99 7.14 0.28 3.53 3.84 0.15 0.79 114.94 128.68 2c7h s ASN 55 Ca 0.15 2.37 0.15 0.00 0.21 0.00 0.00 52.86 55.73 2c7h s ASN 55 Cb -0.10 -2.63 0.22 0.00 -0.55 0.00 0.00 41.25 38.18 2c7h s ASN 55 CO 0.07 -0.25 1.51 0.00 -2.79 0.00 0.00 177.10 175.64 2c7h h ALA 56 N 3.80 0.73 0.00 1.71 0.00 -1.45 -1.98 119.26 122.07 2c7h h ALA 56 Ca -0.47 -0.50 -0.06 0.00 0.00 0.00 0.00 54.91 53.89 2c7h h ALA 56 Cb 1.21 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 2c7h h ALA 56 CO 0.67 0.68 -0.82 1.04 0.00 0.00 0.00 179.25 180.82 2c7h n GLN 57 N -3.35 0.49 0.09 0.00 6.02 -1.26 -4.57 117.38 114.80 2c7h n GLN 57 Ca 0.01 0.45 0.12 0.00 -0.01 0.00 0.00 57.00 57.57 2c7h n GLN 57 Cb 0.70 -1.64 0.13 0.00 1.02 0.00 0.00 30.24 30.45 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 -1.11 5.09 1.35 -1.93 -3.47 112.91 111.85 2c7h h THR 58 Ca -0.08 -0.66 -0.35 0.00 -0.55 0.00 0.00 66.41 64.77 2c7h h THR 58 Cb 0.78 1.26 -0.12 0.00 -1.73 0.00 0.00 68.15 68.34 2c7h h THR 58 CO -0.05 0.00 -0.34 0.29 -0.25 0.00 0.00 175.52 175.17 2c7h n LYS 59 N -2.34 -1.22 -2.49 4.72 4.76 -0.74 -4.96 118.16 115.89 2c7h n LYS 59 Ca 0.03 1.05 -0.42 0.00 -2.87 0.00 0.00 58.31 56.10 2c7h n LYS 59 Cb 0.47 -5.32 -0.03 0.00 -1.84 0.00 0.00 35.03 28.31 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 -3.70 4.47 0.06 1.97 2.12 -1.26 -4.53 118.70 117.83 2c7h s GLU 60 Ca 0.00 1.69 -0.22 0.00 0.36 0.00 0.00 54.97 56.81 2c7h s GLU 60 Cb 0.00 -3.36 -0.06 0.00 0.26 0.00 0.00 34.13 30.96 2c7h s GLU 60 CO 0.00 -0.19 0.65 -1.21 -0.54 0.00 0.00 175.26 173.97 2c7h s GLU 61 N 0.95 4.35 -0.47 4.30 2.02 -1.26 0.31 118.70 128.91 2c7h s GLU 61 Ca 0.57 0.87 -0.12 0.00 0.02 0.00 0.00 54.97 56.30 2c7h s GLU 61 Cb -0.28 -3.30 0.10 0.00 0.10 0.00 0.00 34.13 30.75 2c7h s GLU 61 CO 0.29 0.48 0.36 0.71 0.02 0.00 0.00 175.26 177.12 2c7h s TYR 62 N -0.65 3.32 -0.02 1.61 2.02 0.19 -4.86 117.35 118.95 2c7h s TYR 62 Ca 0.32 -1.41 0.15 0.00 -0.37 0.00 0.00 57.07 55.77 2c7h s TYR 62 Cb -0.20 -3.28 -0.23 0.00 -0.40 0.00 0.00 41.96 37.85 2c7h s TYR 62 CO 0.20 -0.90 0.33 0.25 -1.57 0.00 0.00 175.55 173.86 2c7h n THR 63 N 5.05 0.00 -3.27 -0.71 -2.24 -1.26 -3.48 114.28 108.37 2c7h n THR 63 Ca -0.11 -0.34 -0.38 0.00 -2.27 0.00 0.00 64.05 60.95 2c7h n THR 63 Cb 0.42 0.16 -0.06 0.00 -2.10 0.00 0.00 70.33 68.76 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 -3.71 6.86 0.19 3.42 -1.08 -1.26 -4.94 116.67 116.15 2c7h s ASP 64 Ca -0.05 1.03 0.19 0.00 -0.52 0.00 0.00 52.55 53.19 2c7h s ASP 64 Cb 0.10 -2.33 0.85 0.00 -1.46 0.00 0.00 42.92 40.08 2c7h s ASP 64 CO 0.62 0.08 1.58 0.47 0.52 0.00 0.00 175.17 178.44 2c7h n ASP 65 N 2.99 0.44 -0.10 -0.34 9.92 -1.26 -1.29 116.55 126.91 2c7h n ASP 65 Ca -0.07 0.63 0.14 0.00 -0.53 0.00 0.00 54.79 54.96 2c7h n ASP 65 Cb 0.51 -0.72 0.53 0.00 -0.64 0.00 0.00 41.12 40.81 2c7h n ASP 65 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 2c7h n ASN 66 N -2.02 0.48 -4.77 -2.24 3.02 -1.26 -1.53 115.26 106.94 2c7h n ASN 66 Ca 0.01 -0.43 -0.40 0.00 -0.03 0.00 0.00 54.58 53.74 2c7h n ASN 66 Cb 0.15 -0.06 0.00 0.00 -0.61 0.00 0.00 39.78 39.27 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 -2.62 3.35 -0.05 5.41 0.00 -0.41 -4.73 121.76 122.72 2c7h s ALA 67 Ca 0.24 1.38 0.06 0.00 0.00 0.00 0.00 51.96 53.63 2c7h s ALA 67 Cb 0.19 -3.54 -0.02 0.00 0.00 0.00 0.00 23.12 19.75 2c7h s ALA 67 CO 0.52 -0.96 -0.22 -0.48 0.00 0.00 0.00 175.76 174.63 2c7h s LEU 68 N -2.36 2.29 -0.22 0.00 0.05 -1.26 0.97 118.68 118.15 2c7h s LEU 68 Ca 0.56 -0.40 0.01 0.00 0.05 0.00 0.00 54.13 54.35 2c7h s LEU 68 Cb -0.42 -1.43 0.03 0.00 -2.05 0.00 0.00 46.19 42.33 2c7h s LEU 68 CO 0.55 0.29 -0.13 -0.63 -0.55 0.00 0.00 176.35 175.87 2c7h s ILE 69 N -0.42 2.31 0.57 1.48 1.09 0.12 -4.91 121.20 121.45 2c7h s ILE 69 Ca 0.04 -1.19 -0.15 0.00 -1.10 0.00 0.00 60.65 58.25 2c7h s ILE 69 Cb -0.12 -2.16 -0.05 0.00 -1.06 0.00 0.00 42.46 39.07 2c7h s ILE 69 CO 0.01 0.26 1.02 -2.16 -0.10 0.00 0.00 174.94 173.98 2c7h s PRO 70 N 1.24 3.60 0.00 2.79 0.04 -1.26 -0.65 135.00 140.76 2c7h s PRO 70 Ca -0.01 1.00 0.14 0.00 0.04 0.00 0.00 61.00 62.18 2c7h s PRO 70 Cb -0.16 -2.08 0.66 0.00 0.04 0.00 0.00 34.50 32.96 2c7h s PRO 70 CO -0.08 -0.56 1.43 0.36 0.04 0.00 0.00 177.00 178.19 2c7h n LYS 71 N -2.04 0.09 0.16 4.56 2.85 -0.24 -1.38 118.16 122.17 2c7h n LYS 71 Ca 0.07 0.21 0.12 0.00 -1.05 0.00 0.00 58.31 57.67 2c7h n LYS 71 Cb 0.54 -1.50 0.24 0.00 -0.65 0.00 0.00 35.03 33.66 2c7h n LYS 71 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 177.40 176.44 2c7h h ASN 72 N 0.00 0.00 -2.32 -5.58 4.21 -1.85 -3.44 115.58 106.59 2c7h h ASN 72 Ca 0.00 -0.02 -0.52 0.00 1.21 0.00 0.00 56.30 56.97 2c7h h ASN 72 Cb 0.20 0.00 -0.05 0.00 -1.12 0.00 0.00 38.32 37.34 2c7h h ASN 72 CO 0.00 0.01 -0.53 -0.44 -1.29 0.00 0.00 177.43 175.17 2c7h s SER 73 N -5.37 5.53 -0.05 5.81 0.01 -0.48 -5.09 113.70 114.07 2c7h s SER 73 Ca 0.08 -0.22 0.06 0.00 1.31 0.00 0.00 55.95 57.19 2c7h s SER 73 Cb 0.09 -1.42 -0.01 0.00 0.21 0.00 0.00 66.02 64.88 2c7h s SER 73 CO 0.66 -0.01 -0.25 -0.44 0.41 0.00 0.00 173.24 173.61 2c7h s SER 74 N -3.66 3.12 0.24 2.44 0.01 -1.26 -3.97 113.70 110.63 2c7h s SER 74 Ca 0.32 -0.48 0.03 0.00 1.31 0.00 0.00 55.95 57.14 2c7h s SER 74 Cb -0.08 -0.70 -0.05 0.00 0.21 0.00 0.00 66.02 65.39 2c7h s SER 74 CO 0.25 0.27 0.01 0.68 0.41 0.00 0.00 173.24 174.85 2c7h s VAL 75 N -0.32 1.04 -0.10 3.43 -7.23 -0.02 -1.26 120.40 115.94 2c7h s VAL 75 Ca 0.01 -2.03 0.04 0.00 -1.81 0.00 0.00 61.98 58.19 2c7h s VAL 75 Cb -0.12 -2.41 -0.00 0.00 0.56 0.00 0.00 36.38 34.41 2c7h s VAL 75 CO 0.02 -0.27 -0.24 -0.63 -0.31 0.00 0.00 175.10 173.67 2c7h s ILE 76 N -3.42 2.06 -0.25 -0.62 1.01 0.24 -1.86 121.20 118.36 2c7h s ILE 76 Ca 0.30 -1.02 -0.10 0.00 0.00 0.00 0.00 60.65 59.83 2c7h s ILE 76 Cb 0.06 -1.77 -0.04 0.00 0.01 0.00 0.00 42.46 40.71 2c7h s ILE 76 CO 0.10 0.56 0.14 -0.69 0.00 0.00 0.00 174.94 175.04 2c7h s VAL 77 N 0.29 5.01 -0.08 2.92 1.01 0.12 0.09 120.40 129.75 2c7h s VAL 77 Ca -0.17 0.06 0.02 0.00 0.00 0.00 0.00 61.98 61.89 2c7h s VAL 77 Cb -0.18 -3.35 0.01 0.00 0.00 0.00 0.00 36.38 32.87 2c7h s VAL 77 CO 0.08 0.32 -0.13 -0.60 0.00 0.00 0.00 175.10 174.77 2c7h s ARG 78 N 1.38 1.88 -0.15 2.72 3.52 -0.63 -1.74 118.95 125.93 2c7h s ARG 78 Ca 0.06 -0.46 -0.22 0.00 -0.13 0.00 0.00 55.73 54.99 2c7h s ARG 78 Cb -0.15 -1.58 -0.03 0.00 -1.56 0.00 0.00 34.95 31.63 2c7h s ARG 78 CO 0.06 -0.01 0.66 0.50 -0.81 0.00 0.00 175.30 175.71 2c7h s ARG 79 N 0.81 4.30 0.01 5.12 3.52 -1.26 -0.09 118.95 131.35 2c7h s ARG 79 Ca -0.11 0.72 0.07 0.00 -0.13 0.00 0.00 55.73 56.28 2c7h s ARG 79 Cb -0.15 -3.53 -0.02 0.00 -1.56 0.00 0.00 34.95 29.69 2c7h s ARG 79 CO 0.02 -0.13 -0.23 0.96 -0.81 0.00 0.00 175.30 175.11 2c7h s ILE 80 N 1.52 1.82 0.02 4.11 -5.25 0.04 -4.92 121.20 118.53 2c7h s ILE 80 Ca 0.32 -1.11 -0.30 0.00 -0.99 0.00 0.00 60.65 58.57 2c7h s ILE 80 Cb -0.16 -1.54 -0.05 0.00 2.95 0.00 0.00 42.46 43.66 2c7h s ILE 80 CO 0.13 0.40 1.18 -2.16 -1.79 0.00 0.00 174.94 172.69 2c7h s PRO 81 N -0.84 4.42 0.27 0.37 0.04 -1.26 0.43 135.00 138.42 2c7h s PRO 81 Ca 0.09 1.71 0.09 0.00 0.04 0.00 0.00 61.00 62.92 2c7h s PRO 81 Cb -0.09 -3.42 0.34 0.00 0.04 0.00 0.00 34.50 31.37 2c7h s PRO 81 CO 0.00 -0.29 1.61 -0.84 0.04 0.00 0.00 177.00 177.52 2c7h h ILE 82 N 4.69 1.42 0.00 0.56 3.07 -1.67 0.16 117.51 125.74 2c7h h ILE 82 Ca -0.39 -2.06 -0.02 0.00 1.55 0.00 0.00 64.86 63.94 2c7h h ILE 82 Cb 1.20 2.09 -0.00 0.00 -0.27 0.00 0.00 36.82 39.84 2c7h h ILE 82 CO 0.83 0.59 -0.33 1.23 -1.05 0.00 0.00 178.15 179.42 2c7h h GLY 83 N 1.73 0.00 0.00 0.16 0.00 -1.92 -3.35 103.07 99.69 2c7h h GLY 83 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.30 2c7h h GLY 83 CO 0.08 0.00 -0.16 -1.33 0.00 0.00 0.00 176.54 175.14 2c7h h GLY 84 N 3.94 0.00 -7.37 4.60 0.00 -1.83 -3.40 103.07 99.01 2c7h h GLY 84 Ca -0.01 0.00 -0.71 0.00 0.00 0.00 0.00 47.33 46.61 2c7h h GLY 84 CO 0.01 0.00 0.31 0.14 0.00 0.00 0.00 176.54 177.00 2c7h s VAL 85 N -1.94 4.93 -2.45 4.60 1.01 0.51 -5.05 120.40 122.02 2c7h s VAL 85 Ca -0.11 -1.41 0.28 0.00 0.00 0.00 0.00 61.98 60.74 2c7h s VAL 85 Cb -0.00 -4.57 0.59 0.00 0.00 0.00 0.00 36.38 32.40 2c7h s VAL 85 CO 0.34 -1.22 1.80 0.29 0.00 0.00 0.00 175.10 176.30