#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 1.48 -3.30 1.61 -0.04 -1.26 -4.39 135.00 129.10 2c7h n PRO 2 Ca 0.00 -0.65 -0.45 0.00 -0.04 0.00 0.00 63.50 62.36 2c7h n PRO 2 Cb 0.00 -1.74 -0.00 0.00 -0.04 0.00 0.00 33.50 31.72 2c7h n PRO 2 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2c7h s LEU 3 N 0.00 6.23 0.00 1.53 1.43 -1.26 -4.65 118.68 121.95 2c7h s LEU 3 Ca 0.43 -3.48 0.00 0.00 -1.03 0.00 0.00 54.13 50.05 2c7h s LEU 3 Cb 0.21 -2.23 0.00 0.00 0.03 0.00 0.00 46.19 44.20 2c7h s LEU 3 CO 0.00 -0.35 0.00 0.61 0.23 0.00 0.00 176.35 176.84 2c7h n GLY 4 N 2.92 1.78 1.55 -3.19 0.00 -1.26 -3.23 105.19 103.76 2c7h n GLY 4 Ca 0.25 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2c7h n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2c7h n SER 5 N 3.88 -2.53 -3.75 1.61 2.88 -1.26 -5.09 113.62 109.36 2c7h n SER 5 Ca 0.00 0.66 -0.12 0.00 -1.33 0.00 0.00 58.87 58.07 2c7h n SER 5 Cb 0.00 2.52 -0.11 0.00 -0.75 0.00 0.00 64.21 65.87 2c7h n SER 5 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 2c7h s MET 6 N -1.80 0.34 -0.17 -1.46 1.00 -1.20 -4.56 119.30 111.46 2c7h s MET 6 Ca 0.00 0.50 -0.29 0.00 0.00 0.00 0.00 55.69 55.90 2c7h s MET 6 Cb 0.00 0.10 -0.01 0.00 0.00 0.00 0.00 34.83 34.92 2c7h s MET 6 CO 0.00 -0.08 1.19 -1.12 0.00 0.00 0.00 175.02 175.01 2c7h s SER 7 N 0.53 7.01 -0.00 3.03 0.01 -1.23 -4.95 113.70 118.10 2c7h s SER 7 Ca -0.03 1.62 0.01 0.00 1.31 0.00 0.00 55.95 58.85 2c7h s SER 7 Cb -0.04 -2.54 -0.00 0.00 0.21 0.00 0.00 66.02 63.64 2c7h s SER 7 CO -0.03 -0.70 -0.03 0.00 0.41 0.00 0.00 173.24 172.89 2c7h s VAL 9 N -0.12 4.24 -0.36 0.00 1.01 -0.81 -4.52 120.40 119.84 2c7h s VAL 9 Ca 0.00 -0.21 -0.29 0.00 0.00 0.00 0.00 61.98 61.48 2c7h s VAL 9 Cb -0.01 -2.93 0.02 0.00 0.00 0.00 0.00 36.38 33.45 2c7h s VAL 9 CO -0.00 0.41 1.10 -1.00 0.00 0.00 0.00 175.10 175.61 2c7h s HIS 10 N 1.02 3.03 -0.00 5.22 3.76 -1.25 -1.90 115.29 125.16 2c7h s HIS 10 Ca 0.03 1.05 0.04 0.00 -0.15 0.00 0.00 55.06 56.03 2c7h s HIS 10 Cb -0.14 -3.91 -0.01 0.00 1.11 0.00 0.00 32.58 29.63 2c7h s HIS 10 CO 0.02 -0.95 -0.13 1.52 -0.85 0.00 0.00 174.74 174.35 2c7h s TYR 11 N 3.91 1.14 -0.02 1.40 1.13 -0.06 -0.62 117.35 124.23 2c7h s TYR 11 Ca 0.47 -0.24 0.03 0.00 -1.41 0.00 0.00 57.07 55.92 2c7h s TYR 11 Cb -0.11 -0.72 -0.00 0.00 -1.10 0.00 0.00 41.96 40.03 2c7h s TYR 11 CO 0.20 -0.01 -0.11 -1.59 -2.51 0.00 0.00 175.55 171.53 2c7h s LYS 12 N -0.46 1.13 0.61 -3.49 -2.85 -0.81 0.26 119.74 114.12 2c7h s LYS 12 Ca 0.04 -0.40 -0.06 0.00 -1.00 0.00 0.00 55.97 54.55 2c7h s LYS 12 Cb -0.05 -1.04 0.02 0.00 -2.06 0.00 0.00 37.83 34.69 2c7h s LYS 12 CO -0.00 0.18 0.92 0.12 0.10 0.00 0.00 175.35 176.67 2c7h s PHE 13 N 0.04 3.20 0.48 1.78 2.19 -1.25 0.20 117.98 124.61 2c7h s PHE 13 Ca -0.01 0.61 0.15 0.00 0.33 0.00 0.00 56.93 58.01 2c7h s PHE 13 Cb -0.08 -2.82 1.15 0.00 -1.31 0.00 0.00 43.02 39.96 2c7h s PHE 13 CO 0.01 -0.92 2.07 0.77 1.83 0.00 0.00 175.22 178.97 2c7h h SER 14 N -0.25 0.18 1.07 6.13 0.02 -1.75 -1.26 113.55 117.69 2c7h h SER 14 Ca -0.45 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 2c7h h SER 14 Cb 1.27 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.77 2c7h h SER 14 CO 0.61 0.12 -0.30 -1.20 -1.14 0.00 0.00 176.83 174.92 2c7h n SER 15 N -4.49 0.63 -4.28 3.07 7.64 -1.26 -4.83 113.62 110.09 2c7h n SER 15 Ca 0.03 0.30 -0.33 0.00 1.01 0.00 0.00 58.87 59.88 2c7h n SER 15 Cb 0.21 -0.27 -0.15 0.00 -1.01 0.00 0.00 64.21 62.99 2c7h n SER 15 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2c7h s LYS 16 N -3.10 3.24 0.05 1.43 1.02 -0.48 -5.01 119.74 116.89 2c7h s LYS 16 Ca 0.09 -0.74 -0.16 0.00 0.02 0.00 0.00 55.97 55.19 2c7h s LYS 16 Cb 0.14 -2.61 -0.25 0.00 -0.52 0.00 0.00 37.83 34.59 2c7h s LYS 16 CO 0.65 0.06 1.14 -0.07 -0.92 0.00 0.00 175.35 176.21 2c7h h LEU 17 N 7.17 0.82 -9.94 3.17 3.38 -1.88 -3.33 115.31 114.70 2c7h h LEU 17 Ca -0.31 -0.77 -0.50 0.00 0.09 0.00 0.00 57.88 56.39 2c7h h LEU 17 Cb 1.20 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.65 2c7h h LEU 17 CO 0.56 1.49 -0.51 0.54 0.09 0.00 0.00 178.44 180.61 2c7h s ASN 18 N -7.21 5.66 0.19 -0.43 2.20 -1.26 -5.02 114.94 109.07 2c7h s ASN 18 Ca -0.11 -0.19 -0.30 0.00 -0.94 0.00 0.00 52.86 51.33 2c7h s ASN 18 Cb 0.06 -1.48 -0.08 0.00 -2.00 0.00 0.00 41.25 37.75 2c7h s ASN 18 CO 0.90 -0.03 1.04 -0.31 -2.94 0.00 0.00 177.10 175.75 2c7h s TYR 19 N -2.08 3.72 0.47 1.54 2.02 -1.26 -4.66 117.35 117.10 2c7h s TYR 19 Ca 0.33 1.72 0.09 0.00 -0.37 0.00 0.00 57.07 58.84 2c7h s TYR 19 Cb -0.08 -3.17 0.03 0.00 -0.40 0.00 0.00 41.96 38.35 2c7h s TYR 19 CO 0.25 -0.20 0.64 0.34 -1.57 0.00 0.00 175.55 175.02 2c7h s ASP 20 N -0.41 5.46 -0.05 2.29 -1.08 0.14 -4.83 116.67 118.19 2c7h s ASP 20 Ca 0.46 -0.57 -0.01 0.00 -0.52 0.00 0.00 52.55 51.91 2c7h s ASP 20 Cb -0.28 -0.34 0.03 0.00 -1.46 0.00 0.00 42.92 40.87 2c7h s ASP 20 CO 0.34 -0.95 0.03 0.42 0.52 0.00 0.00 175.17 175.53 2c7h s THR 21 N -2.46 0.09 -0.37 1.71 -4.23 -1.26 -0.88 115.64 108.24 2c7h s THR 21 Ca 0.57 0.26 -0.18 0.00 -1.18 0.00 0.00 61.69 61.16 2c7h s THR 21 Cb -0.08 -0.28 0.00 0.00 1.34 0.00 0.00 72.50 73.48 2c7h s THR 21 CO 0.35 0.19 0.50 0.68 -0.54 0.00 0.00 174.62 175.79 2c7h s VAL 22 N 1.82 5.02 -0.43 2.29 -7.23 -0.80 -4.87 120.40 116.21 2c7h s VAL 22 Ca 0.01 0.17 -0.23 0.00 -1.81 0.00 0.00 61.98 60.12 2c7h s VAL 22 Cb -0.12 -3.99 0.02 0.00 0.56 0.00 0.00 36.38 32.85 2c7h s VAL 22 CO -0.03 -0.28 0.79 0.42 -0.31 0.00 0.00 175.10 175.68 2c7h s THR 23 N 2.36 4.67 0.13 5.32 -4.23 -1.25 -1.92 115.64 120.71 2c7h s THR 23 Ca 0.17 0.55 0.07 0.00 -1.18 0.00 0.00 61.69 61.30 2c7h s THR 23 Cb -0.16 -4.29 -0.04 0.00 1.34 0.00 0.00 72.50 69.35 2c7h s THR 23 CO 0.14 -0.65 -0.15 0.72 -0.54 0.00 0.00 174.62 174.14 2c7h s PHE 24 N 3.25 1.52 -0.55 3.99 -0.71 0.97 -4.97 117.98 121.48 2c7h s PHE 24 Ca 0.30 -0.53 -0.18 0.00 -1.04 0.00 0.00 56.93 55.48 2c7h s PHE 24 Cb -0.12 -0.78 0.10 0.00 -1.21 0.00 0.00 43.02 41.00 2c7h s PHE 24 CO 0.21 0.19 0.62 0.34 -1.34 0.00 0.00 175.22 175.24 2c7h s ASP 25 N -2.51 6.19 0.00 1.98 2.15 -1.26 -3.57 116.67 119.64 2c7h s ASP 25 Ca 0.11 -1.40 0.00 0.00 0.43 0.00 0.00 52.55 51.69 2c7h s ASP 25 Cb -0.05 -2.27 0.00 0.00 -0.30 0.00 0.00 42.92 40.30 2c7h s ASP 25 CO 0.04 -0.97 0.00 0.61 -0.17 0.00 0.00 175.17 174.67 2c7h n GLY 26 N 5.25 -1.68 0.13 2.66 0.00 -1.26 -4.99 105.19 105.29 2c7h n GLY 26 Ca -0.10 -1.36 -0.21 0.00 0.00 0.00 0.00 46.02 44.35 2c7h n GLY 26 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2c7h n LEU 27 N 0.00 2.68 -4.03 0.99 0.00 -1.26 -4.72 117.00 110.67 2c7h n LEU 27 Ca 0.00 0.02 -0.11 0.00 0.00 0.00 0.00 56.01 55.92 2c7h n LEU 27 Cb 0.00 -0.91 -0.11 0.00 0.00 0.00 0.00 43.42 42.39 2c7h n LEU 27 CO 0.00 0.83 -0.38 -1.38 0.00 0.00 0.00 177.39 176.46 2c7h s HIS 28 N -2.52 0.46 -0.10 1.96 -3.43 -1.26 -1.21 115.29 109.19 2c7h s HIS 28 Ca -0.34 -0.55 0.04 0.00 -0.80 0.00 0.00 55.06 53.40 2c7h s HIS 28 Cb 0.10 -0.30 0.00 0.00 -1.43 0.00 0.00 32.58 30.95 2c7h s HIS 28 CO 0.59 -0.15 -0.23 -1.50 -2.00 0.00 0.00 174.74 171.45 2c7h s ILE 29 N -1.60 1.99 0.40 -5.38 2.07 0.22 -4.92 121.20 113.98 2c7h s ILE 29 Ca -0.12 -0.97 -0.26 0.00 -1.41 0.00 0.00 60.65 57.89 2c7h s ILE 29 Cb -0.09 -1.73 -0.11 0.00 0.13 0.00 0.00 42.46 40.67 2c7h s ILE 29 CO -0.01 0.54 1.30 -1.20 -1.91 0.00 0.00 174.94 173.67 2c7h n SER 30 N 3.61 2.75 -0.31 4.50 7.64 -1.26 0.02 113.62 130.56 2c7h n SER 30 Ca -0.19 1.15 0.02 0.00 1.01 0.00 0.00 58.87 60.86 2c7h n SER 30 Cb 0.53 -1.51 0.16 0.00 -1.01 0.00 0.00 64.21 62.38 2c7h n SER 30 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2c7h h LEU 31 N 2.30 0.78 -0.46 -3.43 5.85 0.81 0.43 115.31 121.59 2c7h h LEU 31 Ca -0.48 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.30 2c7h h LEU 31 Cb 1.29 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 42.16 2c7h h LEU 31 CO 0.61 0.47 0.26 0.00 -0.34 0.00 0.00 178.44 179.44 2c7h h ASP 33 N 0.51 0.58 -0.40 0.00 5.19 -1.57 -1.01 116.42 119.73 2c7h h ASP 33 Ca 0.19 -0.32 0.02 0.00 -0.62 0.00 0.00 57.03 56.29 2c7h h ASP 33 Cb 0.05 -0.16 -0.03 0.00 0.18 0.00 0.00 39.33 39.38 2c7h h ASP 33 CO -0.11 0.76 0.24 0.25 -3.12 0.00 0.00 179.24 177.26 2c7h h LEU 34 N 0.39 0.38 -0.58 1.55 7.12 0.23 -0.80 115.31 123.61 2c7h h LEU 34 Ca 0.09 0.00 -0.05 0.00 0.13 0.00 0.00 57.88 58.05 2c7h h LEU 34 Cb 0.48 -0.08 -0.02 0.00 -0.53 0.00 0.00 40.66 40.50 2c7h h LEU 34 CO 0.02 0.28 0.17 0.11 -0.13 0.00 0.00 178.44 178.89 2c7h h LYS 35 N 0.48 0.90 -0.79 1.25 1.57 -0.21 -1.99 116.57 117.78 2c7h h LYS 35 Ca 0.16 -0.20 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 2c7h h LYS 35 Cb 0.00 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.15 2c7h h LYS 35 CO -0.07 0.82 0.43 0.87 -0.57 0.00 0.00 179.45 180.93 2c7h h LYS 36 N 0.81 1.10 -0.18 3.15 6.56 -0.61 0.47 116.57 127.88 2c7h h LYS 36 Ca 0.18 -0.12 -0.01 0.00 -1.06 0.00 0.00 60.65 59.65 2c7h h LYS 36 Cb 0.30 -0.22 -0.01 0.00 -0.57 0.00 0.00 32.23 31.74 2c7h h LYS 36 CO -0.00 0.81 0.09 1.96 -2.06 0.00 0.00 179.45 180.24 2c7h h GLN 37 N 1.10 0.25 -0.33 3.15 1.08 -0.84 -1.21 115.11 118.32 2c7h h GLN 37 Ca 0.28 -0.03 -0.10 0.00 -1.45 0.00 0.00 58.65 57.34 2c7h h GLN 37 Cb 0.03 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.40 2c7h h GLN 37 CO -0.04 0.27 -0.20 0.82 -0.95 0.00 0.00 178.83 178.73 2c7h h ILE 38 N 0.17 1.29 -0.85 2.54 2.04 -0.85 -1.66 117.51 120.20 2c7h h ILE 38 Ca 0.06 -1.33 -0.01 0.00 1.00 0.00 0.00 64.86 64.58 2c7h h ILE 38 Cb 0.10 1.44 -0.04 0.00 -0.74 0.00 0.00 36.82 37.58 2c7h h ILE 38 CO -0.01 0.43 0.48 0.24 0.00 0.00 0.00 178.15 179.29 2c7h h MET 39 N 0.48 1.17 -0.13 2.37 2.86 0.02 0.36 114.93 122.06 2c7h h MET 39 Ca 0.07 -0.13 -0.17 0.00 -2.06 0.00 0.00 59.70 57.41 2c7h h MET 39 Cb 0.74 -0.23 -0.00 0.00 0.06 0.00 0.00 31.60 32.16 2c7h h MET 39 CO 0.06 0.85 -0.64 0.78 1.06 0.00 0.00 176.91 179.02 2c7h h GLY 40 N 1.17 0.54 0.80 8.32 0.00 -1.17 0.30 103.07 113.04 2c7h h GLY 40 Ca 0.30 -0.69 -0.12 0.00 0.00 0.00 0.00 47.33 46.82 2c7h h GLY 40 CO -0.05 0.62 -0.41 -0.09 0.00 0.00 0.00 176.54 176.61 2c7h h ARG 41 N 0.36 0.45 -0.39 4.80 2.43 -0.67 -3.18 114.38 118.17 2c7h h ARG 41 Ca -0.01 -0.35 0.00 0.00 -0.81 0.00 0.00 59.98 58.81 2c7h h ARG 41 Cb 1.19 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.81 2c7h h ARG 41 CO 0.11 0.98 0.00 0.39 -1.51 0.00 0.00 179.97 179.95 2c7h n GLU 42 N -4.32 1.98 -3.69 0.20 -0.58 0.12 -4.95 120.64 109.40 2c7h n GLU 42 Ca -0.08 -1.51 -0.25 0.00 -0.42 0.00 0.00 57.16 54.89 2c7h n GLU 42 Cb 0.55 -1.35 0.01 0.00 -0.57 0.00 0.00 31.44 30.08 2c7h n GLU 42 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 2c7h n LYS 43 N 0.73 -1.23 -3.56 3.49 0.00 -0.63 -4.97 118.16 111.99 2c7h n LYS 43 Ca 0.15 0.72 -0.35 0.00 -0.00 0.00 0.00 58.31 58.83 2c7h n LYS 43 Cb 0.37 -3.26 -0.05 0.00 -0.00 0.00 0.00 35.03 32.08 2c7h n LYS 43 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2c7h s LEU 44 N -5.49 4.34 -0.62 -5.58 1.02 0.98 -5.03 118.68 108.31 2c7h s LEU 44 Ca 0.17 0.81 -0.22 0.00 0.02 0.00 0.00 54.13 54.91 2c7h s LEU 44 Cb -0.08 -3.02 0.07 0.00 0.02 0.00 0.00 46.19 43.18 2c7h s LEU 44 CO 0.88 0.16 0.91 -1.59 0.02 0.00 0.00 176.35 176.73 2c7h s LYS 45 N -1.94 3.15 0.18 1.70 -2.85 -1.26 -4.84 119.74 113.87 2c7h s LYS 45 Ca 0.34 -0.78 0.25 0.00 -1.00 0.00 0.00 55.97 54.79 2c7h s LYS 45 Cb -0.14 -4.19 0.90 0.00 -2.06 0.00 0.00 37.83 32.35 2c7h s LYS 45 CO 0.18 -1.68 1.77 0.00 0.10 0.00 0.00 175.35 175.72 2c7h n ALA 46 N 7.41 2.12 1.21 0.59 0.00 -1.26 -1.09 120.51 129.49 2c7h n ALA 46 Ca -0.04 -0.01 0.06 0.00 0.00 0.00 0.00 53.44 53.45 2c7h n ALA 46 Cb 0.45 -1.44 0.19 0.00 0.00 0.00 0.00 19.45 18.66 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 -1.73 2.48 0.00 0.00 0.00 -1.26 -4.04 120.51 115.96 2c7h n ALA 47 Ca 0.05 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.03 2c7h n ALA 47 Cb 0.36 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.79 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 0.23 0.91 -4.33 0.00 2.03 -0.93 -4.93 116.55 109.53 2c7h n ASP 48 Ca 0.11 0.00 -0.17 0.00 0.52 0.00 0.00 54.79 55.25 2c7h n ASP 48 Cb 0.24 0.00 -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 -3.31 3.37 -0.13 0.00 -1.08 0.16 -4.23 116.67 111.45 2c7h s ASP 50 Ca 0.33 -1.41 0.02 0.00 -0.52 0.00 0.00 52.55 50.97 2c7h s ASP 50 Cb 0.07 -0.19 0.00 0.00 -1.46 0.00 0.00 42.92 41.34 2c7h s ASP 50 CO 0.11 -0.55 -0.20 -0.22 0.52 0.00 0.00 175.17 174.83 2c7h s LEU 51 N -3.65 2.28 -0.19 -1.34 2.96 -1.26 -1.17 118.68 116.31 2c7h s LEU 51 Ca 0.33 -0.52 -0.01 0.00 -0.22 0.00 0.00 54.13 53.71 2c7h s LEU 51 Cb 0.09 -1.49 0.01 0.00 0.50 0.00 0.00 46.19 45.29 2c7h s LEU 51 CO 0.16 0.11 -0.13 -1.58 -1.32 0.00 0.00 176.35 173.59 2c7h s GLN 52 N 0.62 3.18 -0.12 1.98 2.00 0.15 -4.89 119.66 122.58 2c7h s GLN 52 Ca -0.10 -0.74 -0.03 0.00 -2.00 0.00 0.00 55.36 52.48 2c7h s GLN 52 Cb -0.16 -2.74 -0.03 0.00 0.80 0.00 0.00 33.01 30.87 2c7h s GLN 52 CO 0.03 -0.16 0.01 0.42 -0.50 0.00 0.00 175.29 175.08 2c7h s ILE 53 N 1.26 4.32 0.09 -2.34 -1.09 -1.25 -0.29 121.20 121.90 2c7h s ILE 53 Ca 0.03 -0.23 0.09 0.00 -2.23 0.00 0.00 60.65 58.32 2c7h s ILE 53 Cb -0.14 -2.86 -0.03 0.00 -1.58 0.00 0.00 42.46 37.85 2c7h s ILE 53 CO -0.07 0.55 -0.23 -0.89 -1.23 0.00 0.00 174.94 173.07 2c7h s THR 54 N -0.34 1.93 0.29 2.92 2.01 0.81 0.27 115.64 123.53 2c7h s THR 54 Ca 0.07 -1.51 -0.29 0.00 0.31 0.00 0.00 61.69 60.27 2c7h s THR 54 Cb -0.12 -1.71 -0.09 0.00 0.01 0.00 0.00 72.50 70.59 2c7h s THR 54 CO 0.02 0.11 1.07 0.21 -0.69 0.00 0.00 174.62 175.34 2c7h s ASN 55 N -1.69 7.25 0.28 3.53 3.84 0.12 0.11 114.94 128.37 2c7h s ASN 55 Ca 0.10 2.20 0.16 0.00 0.21 0.00 0.00 52.86 55.53 2c7h s ASN 55 Cb -0.10 -2.62 0.08 0.00 -0.55 0.00 0.00 41.25 38.06 2c7h s ASN 55 CO 0.04 -0.15 1.39 0.00 -2.79 0.00 0.00 177.10 175.59 2c7h h ALA 56 N 3.68 0.71 0.02 1.71 0.00 -1.12 -2.03 119.26 122.23 2c7h h ALA 56 Ca -0.47 -0.42 -0.37 0.00 0.00 0.00 0.00 54.91 53.65 2c7h h ALA 56 Cb 1.21 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.91 2c7h h ALA 56 CO 0.66 0.55 -2.07 1.04 0.00 0.00 0.00 179.25 179.43 2c7h n GLN 57 N -3.16 0.61 0.08 0.00 1.13 -1.26 -4.45 117.38 110.33 2c7h n GLN 57 Ca 0.01 0.34 0.09 0.00 -1.94 0.00 0.00 57.00 55.50 2c7h n GLN 57 Cb 0.71 -1.60 -0.03 0.00 0.11 0.00 0.00 30.24 29.43 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 -4.07 0.72 -1.98 5.09 -2.24 -1.26 -4.94 114.28 105.60 2c7h n THR 58 Ca -0.44 -0.58 -0.14 0.00 -2.27 0.00 0.00 64.05 60.62 2c7h n THR 58 Cb 0.86 -0.41 -0.02 0.00 -2.10 0.00 0.00 70.33 68.65 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 -2.70 -1.07 -3.38 -0.78 4.76 -0.76 -4.99 118.16 109.24 2c7h n LYS 59 Ca -0.03 0.78 -0.38 0.00 -2.87 0.00 0.00 58.31 55.81 2c7h n LYS 59 Cb 0.62 -4.99 -0.06 0.00 -1.84 0.00 0.00 35.03 28.76 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 -4.20 4.14 0.39 1.97 2.12 -1.25 -4.69 118.70 117.17 2c7h s GLU 60 Ca 0.00 0.50 -0.23 0.00 0.36 0.00 0.00 54.97 55.60 2c7h s GLU 60 Cb 0.00 -3.31 -0.10 0.00 0.26 0.00 0.00 34.13 30.98 2c7h s GLU 60 CO 0.00 0.48 0.95 -1.21 -0.54 0.00 0.00 175.26 174.94 2c7h s GLU 61 N -0.44 4.37 -0.61 4.30 8.01 -1.26 0.11 118.70 133.18 2c7h s GLU 61 Ca 0.26 1.22 -0.11 0.00 0.01 0.00 0.00 54.97 56.34 2c7h s GLU 61 Cb -0.17 -2.45 0.16 0.00 -4.31 0.00 0.00 34.13 27.36 2c7h s GLU 61 CO 0.13 0.09 0.52 0.71 0.01 0.00 0.00 175.26 176.73 2c7h s TYR 62 N -1.93 3.48 -0.10 1.61 2.02 0.14 -4.93 117.35 117.64 2c7h s TYR 62 Ca 0.57 -1.87 -0.25 0.00 -0.37 0.00 0.00 57.07 55.14 2c7h s TYR 62 Cb -0.13 -3.63 -0.28 0.00 -0.40 0.00 0.00 41.96 37.52 2c7h s TYR 62 CO 0.18 -0.98 0.80 1.79 -1.57 0.00 0.00 175.55 175.77 2c7h h THR 63 N 5.57 1.63 -3.10 -0.71 1.35 -1.95 -3.34 112.91 112.35 2c7h h THR 63 Ca -0.12 -2.43 -0.59 0.00 -0.55 0.00 0.00 66.41 62.72 2c7h h THR 63 Cb 1.05 3.26 -0.04 0.00 -1.73 0.00 0.00 68.15 70.69 2c7h h THR 63 CO 0.86 0.65 -0.27 -0.62 -0.25 0.00 0.00 175.52 175.89 2c7h s ASP 64 N -6.60 6.60 0.00 5.36 2.15 -1.26 -4.95 116.67 117.98 2c7h s ASP 64 Ca -0.17 0.74 0.15 0.00 0.43 0.00 0.00 52.55 53.70 2c7h s ASP 64 Cb -0.01 -2.16 0.79 0.00 -0.30 0.00 0.00 42.92 41.24 2c7h s ASP 64 CO 0.75 0.16 1.39 -0.90 -0.17 0.00 0.00 175.17 176.40 2c7h n ASP 65 N 0.78 0.00 -0.12 -0.34 5.75 -1.26 -0.77 116.55 120.58 2c7h n ASP 65 Ca -0.07 -0.06 0.13 0.00 -0.01 0.00 0.00 54.79 54.78 2c7h n ASP 65 Cb 0.52 -0.22 0.37 0.00 -1.03 0.00 0.00 41.12 40.76 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 -1.22 0.71 -4.76 -1.12 3.02 -1.26 -0.72 115.26 109.91 2c7h n ASN 66 Ca 0.08 -0.54 -0.35 0.00 -0.03 0.00 0.00 54.58 53.74 2c7h n ASN 66 Cb 0.10 0.12 0.02 0.00 -0.61 0.00 0.00 39.78 39.42 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 -2.71 2.60 -0.04 5.41 0.00 0.05 -4.71 121.76 122.36 2c7h s ALA 67 Ca 0.19 0.90 0.06 0.00 0.00 0.00 0.00 51.96 53.11 2c7h s ALA 67 Cb 0.19 -3.40 -0.02 0.00 0.00 0.00 0.00 23.12 19.89 2c7h s ALA 67 CO 0.58 -1.01 -0.23 -0.48 0.00 0.00 0.00 175.76 174.62 2c7h s LEU 68 N -4.02 2.20 -0.25 0.00 0.05 -1.26 0.99 118.68 116.39 2c7h s LEU 68 Ca 0.75 -0.43 -0.02 0.00 0.05 0.00 0.00 54.13 54.48 2c7h s LEU 68 Cb -0.27 -1.40 0.03 0.00 -2.05 0.00 0.00 46.19 42.50 2c7h s LEU 68 CO 0.31 0.29 -0.06 -0.63 -0.55 0.00 0.00 176.35 175.71 2c7h s ILE 69 N -0.45 2.86 0.49 1.48 1.09 0.10 -4.91 121.20 121.86 2c7h s ILE 69 Ca 0.05 -1.04 -0.17 0.00 -1.10 0.00 0.00 60.65 58.40 2c7h s ILE 69 Cb -0.12 -2.46 -0.08 0.00 -1.06 0.00 0.00 42.46 38.75 2c7h s ILE 69 CO 0.01 0.20 0.96 -2.16 -0.10 0.00 0.00 174.94 173.85 2c7h s PRO 70 N 1.32 3.97 0.60 2.79 0.04 -1.26 -0.61 135.00 141.85 2c7h s PRO 70 Ca 0.00 0.94 0.30 0.00 0.04 0.00 0.00 61.00 62.28 2c7h s PRO 70 Cb -0.17 -2.16 1.82 0.00 0.04 0.00 0.00 34.50 34.03 2c7h s PRO 70 CO -0.04 -0.22 2.23 1.57 0.04 0.00 0.00 177.00 180.57 2c7h h LYS 71 N 1.07 0.00 0.00 4.56 2.10 -1.39 -0.85 116.57 122.06 2c7h h LYS 71 Ca -0.47 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 2c7h h LYS 71 Cb 1.18 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.51 2c7h h LYS 71 CO 0.62 0.00 0.00 0.27 -2.00 0.00 0.00 179.45 178.34 2c7h n ASN 72 N -3.79 0.00 -4.36 7.07 0.23 -1.26 -4.47 115.26 108.68 2c7h n ASN 72 Ca -0.02 -0.09 -0.32 0.00 -0.53 0.00 0.00 54.58 53.62 2c7h n ASN 72 Cb 0.13 -0.28 -0.15 0.00 -2.08 0.00 0.00 39.78 37.41 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 -2.56 3.69 -0.01 0.53 0.01 -0.33 -5.09 113.70 109.95 2c7h s SER 73 Ca 0.24 -0.36 -0.17 0.00 1.31 0.00 0.00 55.95 56.97 2c7h s SER 73 Cb 0.17 -1.21 -0.06 0.00 0.21 0.00 0.00 66.02 65.14 2c7h s SER 73 CO 0.38 0.23 0.48 -0.44 0.41 0.00 0.00 173.24 174.31 2c7h s SER 74 N -0.06 6.86 0.13 2.44 0.01 -1.26 -4.19 113.70 117.63 2c7h s SER 74 Ca -0.04 1.02 0.07 0.00 1.31 0.00 0.00 55.95 58.31 2c7h s SER 74 Cb -0.14 -2.30 -0.04 0.00 0.21 0.00 0.00 66.02 63.75 2c7h s SER 74 CO 0.04 0.21 -0.16 0.68 0.41 0.00 0.00 173.24 174.43 2c7h s VAL 75 N -0.58 1.47 -0.15 3.43 -7.23 0.21 -0.55 120.40 117.01 2c7h s VAL 75 Ca 0.26 -1.73 -0.07 0.00 -1.81 0.00 0.00 61.98 58.64 2c7h s VAL 75 Cb -0.17 -1.59 -0.04 0.00 0.56 0.00 0.00 36.38 35.14 2c7h s VAL 75 CO 0.14 -0.35 0.08 -0.63 -0.31 0.00 0.00 175.10 174.03 2c7h s ILE 76 N -1.99 4.95 -0.36 -0.62 -1.09 0.30 -1.93 121.20 120.47 2c7h s ILE 76 Ca 0.10 0.01 -0.09 0.00 -2.23 0.00 0.00 60.65 58.44 2c7h s ILE 76 Cb -0.06 -3.19 0.03 0.00 -1.58 0.00 0.00 42.46 37.66 2c7h s ILE 76 CO 0.04 0.52 0.17 -0.69 -1.23 0.00 0.00 174.94 173.75 2c7h s VAL 77 N -0.17 4.29 -0.13 2.92 1.01 0.13 -0.13 120.40 128.31 2c7h s VAL 77 Ca 0.08 -0.97 -0.03 0.00 0.00 0.00 0.00 61.98 61.06 2c7h s VAL 77 Cb -0.12 -3.41 -0.03 0.00 0.00 0.00 0.00 36.38 32.82 2c7h s VAL 77 CO 0.01 -0.22 -0.03 -0.60 0.00 0.00 0.00 175.10 174.26 2c7h s ARG 78 N 1.50 3.46 -0.16 2.72 3.52 0.60 -1.75 118.95 128.84 2c7h s ARG 78 Ca 0.01 -0.49 -0.14 0.00 -0.13 0.00 0.00 55.73 54.97 2c7h s ARG 78 Cb -0.19 -2.87 -0.05 0.00 -1.56 0.00 0.00 34.95 30.28 2c7h s ARG 78 CO 0.05 0.38 0.31 0.50 -0.81 0.00 0.00 175.30 175.74 2c7h s ARG 79 N -0.00 4.26 0.16 5.12 3.52 -1.26 0.34 118.95 131.09 2c7h s ARG 79 Ca 0.01 0.13 0.07 0.00 -0.13 0.00 0.00 55.73 55.82 2c7h s ARG 79 Cb -0.13 -3.43 -0.04 0.00 -1.56 0.00 0.00 34.95 29.78 2c7h s ARG 79 CO 0.02 0.21 -0.16 0.96 -0.81 0.00 0.00 175.30 175.53 2c7h s ILE 80 N 0.54 1.65 0.38 4.11 -5.25 -0.32 -4.90 121.20 117.42 2c7h s ILE 80 Ca 0.17 -1.95 -0.25 0.00 -0.99 0.00 0.00 60.65 57.64 2c7h s ILE 80 Cb -0.13 -1.81 -0.09 0.00 2.95 0.00 0.00 42.46 43.38 2c7h s ILE 80 CO 0.05 -0.43 1.10 -2.16 -1.79 0.00 0.00 174.94 171.70 2c7h s PRO 81 N -3.01 4.20 0.10 0.37 0.04 -1.26 0.40 135.00 135.84 2c7h s PRO 81 Ca 0.16 1.66 0.09 0.00 0.04 0.00 0.00 61.00 62.95 2c7h s PRO 81 Cb -0.04 -2.69 -0.18 0.00 0.04 0.00 0.00 34.50 31.63 2c7h s PRO 81 CO 0.06 -0.15 1.16 -0.84 0.04 0.00 0.00 177.00 177.27 2c7h h ILE 82 N 2.37 1.40 0.00 0.56 3.07 -1.84 -3.42 117.51 119.65 2c7h h ILE 82 Ca -0.48 -3.09 0.00 0.00 1.55 0.00 0.00 64.86 62.84 2c7h h ILE 82 Cb 1.22 2.68 0.00 0.00 -0.27 0.00 0.00 36.82 40.45 2c7h h ILE 82 CO 0.63 0.80 0.00 0.61 -1.05 0.00 0.00 178.15 179.14 2c7h n GLY 83 N 1.38 2.86 6.64 0.16 0.00 -1.26 -5.04 105.19 109.92 2c7h n GLY 83 Ca -0.03 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 1.21 3.49 -0.02 0.00 -1.26 -4.50 105.19 104.11 2c7h n GLY 84 Ca 0.00 0.29 -0.43 0.00 0.00 0.00 0.00 46.02 45.88 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 4.21 0.00 1.61 0.11 -1.26 -5.18 120.40 119.90 2c7h s VAL 85 Ca 0.00 -0.02 0.00 0.00 -2.93 0.00 0.00 61.98 59.03 2c7h s VAL 85 Cb 0.00 -4.70 0.00 0.00 -1.53 0.00 0.00 36.38 30.15 2c7h s VAL 85 CO 0.00 -1.45 0.35 0.29 -3.33 0.00 0.00 175.10 170.96