#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 -0.04 0.04 1.61 0.13 -2.07 -3.19 132.00 128.48 2c7h h PRO 2 Ca 0.00 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.92 2c7h h PRO 2 Cb 0.00 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.12 2c7h h PRO 2 CO 0.00 -0.03 -1.14 -0.07 -0.23 0.00 0.00 178.00 176.54 2c7h h LEU 3 N -0.04 0.15 0.00 1.56 4.07 -2.10 -3.50 115.31 115.44 2c7h h LEU 3 Ca 0.08 -0.73 0.00 0.00 0.08 0.00 0.00 57.88 57.31 2c7h h LEU 3 Cb 0.16 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 41.86 2c7h h LEU 3 CO -0.18 1.47 0.00 0.61 -1.08 0.00 0.00 178.44 179.26 2c7h n GLY 4 N 1.60 0.23 3.12 0.83 0.00 -1.21 -4.95 105.19 104.81 2c7h n GLY 4 Ca -0.26 -0.08 -0.23 0.00 0.00 0.00 0.00 46.02 45.45 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 -5.83 -4.73 1.61 7.64 -1.26 -4.37 113.62 106.68 2c7h n SER 5 Ca 0.00 -0.33 -0.34 0.00 1.01 0.00 0.00 58.87 59.21 2c7h n SER 5 Cb 0.00 -4.71 0.09 0.00 -1.01 0.00 0.00 64.21 58.58 2c7h n SER 5 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2c7h s MET 6 N -5.81 2.21 -0.05 1.43 0.23 -1.26 -4.80 119.30 111.26 2c7h s MET 6 Ca 0.34 1.74 0.04 0.00 -1.03 0.00 0.00 55.69 56.78 2c7h s MET 6 Cb -0.16 -1.84 0.00 0.00 -1.53 0.00 0.00 34.83 31.30 2c7h s MET 6 CO 0.43 -1.78 -0.15 -1.12 -2.03 0.00 0.00 175.02 170.37 2c7h s SER 7 N -2.05 1.95 -0.08 -1.18 0.01 -1.18 -5.04 113.70 106.12 2c7h s SER 7 Ca 0.74 -0.32 -0.08 0.00 1.31 0.00 0.00 55.95 57.60 2c7h s SER 7 Cb -0.29 -0.62 0.02 0.00 0.21 0.00 0.00 66.02 65.35 2c7h s SER 7 CO 0.45 0.12 0.23 0.00 0.41 0.00 0.00 173.24 174.44 2c7h s VAL 9 N 0.09 4.08 -0.52 0.00 1.01 -0.39 -4.55 120.40 120.13 2c7h s VAL 9 Ca -0.00 -0.27 -0.28 0.00 0.00 0.00 0.00 61.98 61.43 2c7h s VAL 9 Cb -0.02 -2.85 0.00 0.00 0.00 0.00 0.00 36.38 33.51 2c7h s VAL 9 CO 0.00 0.42 1.56 -1.00 0.00 0.00 0.00 175.10 176.08 2c7h s HIS 10 N 1.01 2.10 -0.06 5.22 3.76 -1.25 -2.05 115.29 124.01 2c7h s HIS 10 Ca 0.02 0.57 0.04 0.00 -0.15 0.00 0.00 55.06 55.54 2c7h s HIS 10 Cb -0.14 -4.29 -0.00 0.00 1.11 0.00 0.00 32.58 29.26 2c7h s HIS 10 CO 0.02 -2.20 -0.18 1.52 -0.85 0.00 0.00 174.74 173.05 2c7h s TYR 11 N 6.70 1.87 -0.12 1.40 1.13 0.10 -0.38 117.35 128.05 2c7h s TYR 11 Ca 0.60 -0.61 -0.03 0.00 -1.41 0.00 0.00 57.07 55.63 2c7h s TYR 11 Cb -0.13 -1.27 -0.03 0.00 -1.10 0.00 0.00 41.96 39.43 2c7h s TYR 11 CO 0.26 -0.23 -0.02 -1.59 -2.51 0.00 0.00 175.55 171.45 2c7h s LYS 12 N 0.19 3.32 0.31 -3.49 -2.85 -0.77 0.57 119.74 117.03 2c7h s LYS 12 Ca -0.08 -0.48 0.04 0.00 -1.00 0.00 0.00 55.97 54.44 2c7h s LYS 12 Cb -0.14 -2.84 -0.02 0.00 -2.06 0.00 0.00 37.83 32.77 2c7h s LYS 12 CO 0.04 0.46 0.47 0.12 0.10 0.00 0.00 175.35 176.53 2c7h s PHE 13 N -0.22 3.35 0.58 1.78 2.19 -1.26 -0.11 117.98 124.29 2c7h s PHE 13 Ca 0.04 0.05 0.27 0.00 0.33 0.00 0.00 56.93 57.62 2c7h s PHE 13 Cb -0.13 -1.84 1.70 0.00 -1.31 0.00 0.00 43.02 41.45 2c7h s PHE 13 CO 0.02 0.16 2.22 1.03 1.83 0.00 0.00 175.22 180.49 2c7h h SER 14 N 0.91 0.00 0.73 6.13 0.87 -1.99 -0.41 113.55 119.79 2c7h h SER 14 Ca -0.49 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.07 2c7h h SER 14 Cb 1.24 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 2c7h h SER 14 CO 0.59 0.00 -0.47 -0.24 -0.53 0.00 0.00 176.83 176.17 2c7h n SER 15 N -3.99 0.52 -4.77 6.23 2.88 -1.26 -4.77 113.62 108.47 2c7h n SER 15 Ca -0.03 0.01 -0.37 0.00 -1.33 0.00 0.00 58.87 57.16 2c7h n SER 15 Cb 0.11 0.09 -0.07 0.00 -0.75 0.00 0.00 64.21 63.59 2c7h n SER 15 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2c7h s LYS 16 N -3.07 4.09 0.21 -1.46 3.01 -0.16 -4.96 119.74 117.40 2c7h s LYS 16 Ca 0.10 0.12 0.19 0.00 -1.01 0.00 0.00 55.97 55.37 2c7h s LYS 16 Cb 0.16 -3.36 0.02 0.00 -1.01 0.00 0.00 37.83 33.64 2c7h s LYS 16 CO 0.68 0.39 1.13 -0.07 0.51 0.00 0.00 175.35 177.99 2c7h h LEU 17 N 6.12 0.00 -9.58 3.17 4.07 -1.86 -3.40 115.31 113.83 2c7h h LEU 17 Ca -0.45 0.00 -0.62 0.00 0.08 0.00 0.00 57.88 56.89 2c7h h LEU 17 Cb 1.18 0.00 -0.13 0.00 1.08 0.00 0.00 40.66 42.79 2c7h h LEU 17 CO 0.71 0.28 -0.62 0.20 -1.08 0.00 0.00 178.44 177.92 2c7h s ASN 18 N -5.83 3.76 0.36 -0.43 -0.87 -1.26 -5.09 114.94 105.59 2c7h s ASN 18 Ca 0.01 -1.32 -0.25 0.00 -1.57 0.00 0.00 52.86 49.72 2c7h s ASN 18 Cb 0.08 -0.37 -0.09 0.00 -0.02 0.00 0.00 41.25 40.85 2c7h s ASN 18 CO 0.77 -0.39 1.03 -0.31 -2.57 0.00 0.00 177.10 175.62 2c7h s TYR 19 N -2.71 3.44 0.55 2.20 1.51 -1.26 -4.66 117.35 116.41 2c7h s TYR 19 Ca 0.34 1.69 0.08 0.00 -1.01 0.00 0.00 57.07 58.17 2c7h s TYR 19 Cb 0.08 -3.09 0.06 0.00 -0.11 0.00 0.00 41.96 38.90 2c7h s TYR 19 CO 0.17 -0.37 0.59 0.34 -1.11 0.00 0.00 175.55 175.17 2c7h s ASP 20 N -1.48 4.90 -0.14 2.29 -1.08 0.19 -4.86 116.67 116.49 2c7h s ASP 20 Ca 0.54 -1.01 -0.04 0.00 -0.52 0.00 0.00 52.55 51.51 2c7h s ASP 20 Cb -0.22 0.28 0.06 0.00 -1.46 0.00 0.00 42.92 41.58 2c7h s ASP 20 CO 0.28 -1.18 0.13 0.42 0.52 0.00 0.00 175.17 175.34 2c7h s THR 21 N -2.70 -0.18 -0.07 1.71 -4.23 -1.25 -0.72 115.64 108.20 2c7h s THR 21 Ca 0.48 0.05 -0.13 0.00 -1.18 0.00 0.00 61.69 60.91 2c7h s THR 21 Cb -0.04 -0.47 -0.05 0.00 1.34 0.00 0.00 72.50 73.28 2c7h s THR 21 CO 0.30 -0.10 0.33 0.54 -0.54 0.00 0.00 174.62 175.15 2c7h s VAL 22 N 2.22 5.20 0.01 2.29 0.11 -0.87 -4.84 120.40 124.52 2c7h s VAL 22 Ca 0.04 0.66 0.02 0.00 -2.93 0.00 0.00 61.98 59.77 2c7h s VAL 22 Cb -0.14 -3.64 -0.04 0.00 -1.53 0.00 0.00 36.38 31.03 2c7h s VAL 22 CO -0.08 0.52 -0.00 0.42 -3.33 0.00 0.00 175.10 172.62 2c7h s THR 23 N -0.53 4.09 0.10 5.04 -4.23 -1.26 -1.26 115.64 117.59 2c7h s THR 23 Ca 0.20 -0.67 -0.24 0.00 -1.18 0.00 0.00 61.69 59.81 2c7h s THR 23 Cb -0.15 -2.84 0.06 0.00 1.34 0.00 0.00 72.50 70.91 2c7h s THR 23 CO 0.09 0.34 0.58 0.72 -0.54 0.00 0.00 174.62 175.81 2c7h s PHE 24 N -1.11 -0.51 -0.34 3.99 -0.71 -0.73 -5.00 117.98 113.57 2c7h s PHE 24 Ca 0.20 0.45 -0.14 0.00 -1.04 0.00 0.00 56.93 56.40 2c7h s PHE 24 Cb -0.11 0.46 -0.02 0.00 -1.21 0.00 0.00 43.02 42.14 2c7h s PHE 24 CO 0.11 -0.76 0.28 -0.51 -1.34 0.00 0.00 175.22 173.00 2c7h s ASP 25 N -2.35 6.10 0.00 1.98 1.01 -1.26 -3.12 116.67 119.02 2c7h s ASP 25 Ca -0.02 -0.36 0.00 0.00 0.71 0.00 0.00 52.55 52.88 2c7h s ASP 25 Cb -0.00 -2.16 0.00 0.00 1.01 0.00 0.00 42.92 41.77 2c7h s ASP 25 CO -0.07 -0.27 0.00 0.61 0.21 0.00 0.00 175.17 175.65 2c7h n GLY 26 N 5.06 1.90 0.09 0.21 0.00 -1.26 -4.95 105.19 106.24 2c7h n GLY 26 Ca -0.12 -1.81 -0.12 0.00 0.00 0.00 0.00 46.02 43.97 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 -7.73 0.99 5.85 -1.95 -3.42 115.31 109.22 2c7h h LEU 27 Ca 0.00 -0.27 -0.13 0.00 0.84 0.00 0.00 57.88 58.32 2c7h h LEU 27 Cb 0.00 -0.06 -0.20 0.00 0.37 0.00 0.00 40.66 40.77 2c7h h LEU 27 CO 0.00 1.23 -0.45 -1.38 -0.34 0.00 0.00 178.44 177.49 2c7h s HIS 28 N -2.63 0.03 -0.08 1.25 -3.43 -1.26 -1.18 115.29 108.00 2c7h s HIS 28 Ca -0.06 -0.15 0.04 0.00 -0.80 0.00 0.00 55.06 54.09 2c7h s HIS 28 Cb 0.08 -0.04 0.00 0.00 -1.43 0.00 0.00 32.58 31.19 2c7h s HIS 28 CO 0.83 -0.33 -0.19 -1.50 -2.00 0.00 0.00 174.74 171.55 2c7h s ILE 29 N -1.69 1.65 0.58 -5.38 2.07 0.04 -4.92 121.20 113.54 2c7h s ILE 29 Ca -0.12 -0.79 -0.20 0.00 -1.41 0.00 0.00 60.65 58.12 2c7h s ILE 29 Cb -0.06 -1.44 -0.04 0.00 0.13 0.00 0.00 42.46 41.06 2c7h s ILE 29 CO 0.00 0.47 1.30 -0.44 -1.91 0.00 0.00 174.94 174.37 2c7h s SER 30 N 0.35 5.11 0.23 4.50 0.01 -1.26 0.34 113.70 122.98 2c7h s SER 30 Ca -0.14 2.64 -0.07 0.00 1.31 0.00 0.00 55.95 59.69 2c7h s SER 30 Cb -0.16 -2.62 0.28 0.00 0.21 0.00 0.00 66.02 63.73 2c7h s SER 30 CO 0.06 -1.67 1.87 0.25 0.41 0.00 0.00 173.24 174.16 2c7h h LEU 31 N 1.13 0.87 -0.52 2.44 5.85 0.78 0.43 115.31 126.28 2c7h h LEU 31 Ca -0.51 0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.28 2c7h h LEU 31 Cb 1.31 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 42.10 2c7h h LEU 31 CO 0.56 0.58 0.21 0.00 -0.34 0.00 0.00 178.44 179.46 2c7h h ASP 33 N 0.41 0.58 -0.33 0.00 3.32 -1.54 -2.81 116.42 116.04 2c7h h ASP 33 Ca 0.25 -0.47 -0.02 0.00 0.02 0.00 0.00 57.03 56.81 2c7h h ASP 33 Cb 0.24 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 2c7h h ASP 33 CO -0.23 0.93 0.13 0.25 -1.72 0.00 0.00 179.24 178.60 2c7h h LEU 34 N 0.23 0.46 -0.59 1.55 6.46 0.20 -1.58 115.31 122.05 2c7h h LEU 34 Ca 0.04 -0.18 -0.03 0.00 -0.12 0.00 0.00 57.88 57.59 2c7h h LEU 34 Cb 0.76 -0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 40.55 2c7h h LEU 34 CO 0.05 0.51 0.27 0.11 -0.62 0.00 0.00 178.44 178.76 2c7h h LYS 35 N 0.39 0.86 -0.50 1.25 1.57 -0.51 0.08 116.57 119.71 2c7h h LYS 35 Ca 0.11 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 2c7h h LYS 35 Cb 0.20 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 2c7h h LYS 35 CO -0.01 0.71 0.24 0.87 -0.57 0.00 0.00 179.45 180.70 2c7h h LYS 36 N 0.81 0.69 -0.28 3.15 6.56 -1.24 0.53 116.57 126.79 2c7h h LYS 36 Ca 0.20 -0.08 -0.12 0.00 -1.06 0.00 0.00 60.65 59.59 2c7h h LYS 36 Cb 0.15 -0.14 -0.00 0.00 -0.57 0.00 0.00 32.23 31.67 2c7h h LYS 36 CO -0.02 0.53 -0.29 1.96 -2.06 0.00 0.00 179.45 179.58 2c7h h GLN 37 N 0.70 0.69 -0.06 3.15 1.08 -0.70 -2.40 115.11 117.56 2c7h h GLN 37 Ca 0.18 -0.37 -0.21 0.00 -1.45 0.00 0.00 58.65 56.80 2c7h h GLN 37 Cb 0.07 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.51 2c7h h GLN 37 CO -0.02 0.98 -0.82 0.82 -0.95 0.00 0.00 178.83 178.84 2c7h h ILE 38 N 0.43 1.37 -0.34 2.54 2.04 -0.33 -1.18 117.51 122.03 2c7h h ILE 38 Ca 0.04 -2.22 -0.01 0.00 1.00 0.00 0.00 64.86 63.67 2c7h h ILE 38 Cb 0.86 2.20 -0.02 0.00 -0.74 0.00 0.00 36.82 39.12 2c7h h ILE 38 CO 0.07 0.67 0.16 0.24 0.00 0.00 0.00 178.15 179.29 2c7h h MET 39 N 0.31 0.49 -0.50 2.37 2.86 0.01 0.05 114.93 120.52 2c7h h MET 39 Ca -0.05 -0.07 -0.10 0.00 -2.06 0.00 0.00 59.70 57.41 2c7h h MET 39 Cb 1.42 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.98 2c7h h MET 39 CO 0.15 0.45 -0.10 0.78 1.06 0.00 0.00 176.91 179.25 2c7h h GLY 40 N 0.41 1.00 0.46 8.32 0.00 -1.43 0.32 103.07 112.15 2c7h h GLY 40 Ca 0.12 -0.78 0.05 0.00 0.00 0.00 0.00 47.33 46.72 2c7h h GLY 40 CO -0.01 0.71 -0.08 -0.09 0.00 0.00 0.00 176.54 177.07 2c7h h ARG 41 N 0.83 -0.02 -0.47 4.80 9.65 -0.74 -2.62 114.38 125.80 2c7h h ARG 41 Ca 0.13 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.02 2c7h h ARG 41 Cb 0.63 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.22 2c7h h ARG 41 CO 0.04 -0.02 0.00 0.39 2.80 0.00 0.00 179.97 183.19 2c7h n GLU 42 N -5.24 2.55 -2.98 0.20 -0.58 -0.04 -4.95 120.64 109.59 2c7h n GLU 42 Ca -0.01 -2.37 -0.18 0.00 -0.42 0.00 0.00 57.16 54.18 2c7h n GLU 42 Cb 0.16 -1.52 0.04 0.00 -0.57 0.00 0.00 31.44 29.55 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 1.51 -4.51 -1.68 3.49 4.01 0.22 -4.98 118.16 116.22 2c7h n LYS 43 Ca 0.20 0.72 -0.34 0.00 -0.51 0.00 0.00 58.31 58.39 2c7h n LYS 43 Cb 0.61 -5.23 0.06 0.00 -0.51 0.00 0.00 35.03 29.95 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 -5.61 3.40 -0.46 -0.35 1.02 0.87 -4.99 118.68 112.56 2c7h s LEU 44 Ca 0.29 2.17 -0.16 0.00 0.02 0.00 0.00 54.13 56.45 2c7h s LEU 44 Cb -0.13 -4.57 0.05 0.00 0.02 0.00 0.00 46.19 41.56 2c7h s LEU 44 CO 0.36 -1.84 0.43 -1.59 0.02 0.00 0.00 176.35 173.73 2c7h s LYS 45 N -3.92 3.02 0.00 1.70 -2.85 -1.26 -4.82 119.74 111.61 2c7h s LYS 45 Ca 0.71 -1.11 0.28 0.00 -1.00 0.00 0.00 55.97 54.85 2c7h s LYS 45 Cb -0.24 -4.07 1.42 0.00 -2.06 0.00 0.00 37.83 32.87 2c7h s LYS 45 CO 0.41 -0.99 1.98 0.00 0.10 0.00 0.00 175.35 176.85 2c7h n ALA 46 N 5.43 2.40 1.36 0.59 0.00 -1.26 -1.04 120.51 127.99 2c7h n ALA 46 Ca -0.10 -0.13 0.14 0.00 0.00 0.00 0.00 53.44 53.35 2c7h n ALA 46 Cb 0.45 -1.46 0.61 0.00 0.00 0.00 0.00 19.45 19.05 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 -1.30 2.74 0.00 0.00 0.00 -1.26 -4.24 120.51 116.44 2c7h n ALA 47 Ca 0.13 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2c7h n ALA 47 Cb 0.23 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.33 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 -1.07 1.70 -4.44 0.00 2.03 -1.01 -0.38 116.55 113.39 2c7h n ASP 48 Ca 0.13 0.00 -0.25 0.00 0.52 0.00 0.00 54.79 55.20 2c7h n ASP 48 Cb 0.28 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.57 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 -3.14 4.46 -0.24 0.00 2.15 0.24 -4.03 116.67 116.12 2c7h s ASP 50 Ca 0.25 -1.03 0.02 0.00 0.43 0.00 0.00 52.55 52.22 2c7h s ASP 50 Cb -0.06 -0.51 0.05 0.00 -0.30 0.00 0.00 42.92 42.10 2c7h s ASP 50 CO 0.12 -0.51 -0.13 -0.22 -0.17 0.00 0.00 175.17 174.25 2c7h s LEU 51 N -3.90 3.03 -0.24 -1.34 2.96 -1.26 -1.49 118.68 116.44 2c7h s LEU 51 Ca 0.41 -1.13 -0.07 0.00 -0.22 0.00 0.00 54.13 53.11 2c7h s LEU 51 Cb 0.03 -1.54 -0.03 0.00 0.50 0.00 0.00 46.19 45.15 2c7h s LEU 51 CO 0.23 -0.13 0.06 -1.58 -1.32 0.00 0.00 176.35 173.61 2c7h s GLN 52 N 1.18 3.65 -0.12 1.98 0.74 0.62 -4.95 119.66 122.76 2c7h s GLN 52 Ca -0.04 -0.48 -0.04 0.00 0.05 0.00 0.00 55.36 54.85 2c7h s GLN 52 Cb -0.18 -3.29 -0.03 0.00 1.10 0.00 0.00 33.01 30.61 2c7h s GLN 52 CO -0.07 -0.17 0.01 0.42 -0.55 0.00 0.00 175.29 174.93 2c7h s ILE 53 N 1.54 4.36 0.14 -2.34 -1.09 -1.24 -0.38 121.20 122.19 2c7h s ILE 53 Ca 0.06 -0.21 0.10 0.00 -2.23 0.00 0.00 60.65 58.36 2c7h s ILE 53 Cb -0.15 -2.88 -0.04 0.00 -1.58 0.00 0.00 42.46 37.81 2c7h s ILE 53 CO 0.03 0.55 -0.20 -0.89 -1.23 0.00 0.00 174.94 173.21 2c7h s THR 54 N -0.36 2.70 0.37 2.92 2.01 0.13 0.35 115.64 123.76 2c7h s THR 54 Ca 0.07 -1.64 -0.25 0.00 0.31 0.00 0.00 61.69 60.18 2c7h s THR 54 Cb -0.12 -2.25 -0.10 0.00 0.01 0.00 0.00 72.50 70.04 2c7h s THR 54 CO 0.02 0.04 0.99 0.21 -0.69 0.00 0.00 174.62 175.19 2c7h s ASN 55 N -2.28 7.05 0.20 3.53 3.84 0.15 0.11 114.94 127.55 2c7h s ASN 55 Ca 0.18 1.90 0.21 0.00 0.21 0.00 0.00 52.86 55.36 2c7h s ASN 55 Cb -0.10 -2.58 0.01 0.00 -0.55 0.00 0.00 41.25 38.03 2c7h s ASN 55 CO 0.10 -0.28 1.07 0.00 -2.79 0.00 0.00 177.10 175.21 2c7h h ALA 56 N 2.74 0.61 0.00 1.71 0.00 -0.81 -2.39 119.26 121.12 2c7h h ALA 56 Ca -0.48 -0.25 -0.39 0.00 0.00 0.00 0.00 54.91 53.79 2c7h h ALA 56 Cb 1.20 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 19.00 2c7h h ALA 56 CO 0.63 0.28 -2.16 1.04 0.00 0.00 0.00 179.25 179.04 2c7h n GLN 57 N -2.82 0.59 0.04 0.00 6.02 -1.25 -4.54 117.38 115.43 2c7h n GLN 57 Ca -0.02 0.34 0.07 0.00 -0.01 0.00 0.00 57.00 57.39 2c7h n GLN 57 Cb 0.64 -1.57 -0.08 0.00 1.02 0.00 0.00 30.24 30.24 2c7h n GLN 57 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2c7h n THR 58 N -4.20 0.60 -1.33 5.09 -2.24 -1.26 -4.95 114.28 105.99 2c7h n THR 58 Ca -0.47 -0.59 -0.11 0.00 -2.27 0.00 0.00 64.05 60.61 2c7h n THR 58 Cb 0.84 -0.33 -0.05 0.00 -2.10 0.00 0.00 70.33 68.70 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 -2.60 -0.87 -2.22 -0.78 4.76 -0.90 -4.98 118.16 110.57 2c7h n LYS 59 Ca -0.06 0.89 -0.42 0.00 -2.87 0.00 0.00 58.31 55.85 2c7h n LYS 59 Cb 0.66 -4.90 -0.03 0.00 -1.84 0.00 0.00 35.03 28.92 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 -2.92 4.29 -0.12 1.97 2.56 -1.26 -4.50 118.70 118.72 2c7h s GLU 60 Ca 0.00 1.98 -0.22 0.00 0.00 0.00 0.00 54.97 56.73 2c7h s GLU 60 Cb 0.00 -3.53 -0.03 0.00 2.00 0.00 0.00 34.13 32.56 2c7h s GLU 60 CO 0.00 -0.55 0.67 -1.21 -0.56 0.00 0.00 175.26 173.60 2c7h s GLU 61 N 2.23 4.35 -0.59 4.30 2.02 -1.26 0.34 118.70 130.08 2c7h s GLU 61 Ca 0.64 0.77 -0.20 0.00 0.02 0.00 0.00 54.97 56.20 2c7h s GLU 61 Cb -0.32 -3.50 0.09 0.00 0.10 0.00 0.00 34.13 30.50 2c7h s GLU 61 CO 0.27 -0.05 0.75 0.71 0.02 0.00 0.00 175.26 176.96 2c7h s TYR 62 N 1.23 2.93 -0.22 1.61 2.02 0.16 -4.83 117.35 120.24 2c7h s TYR 62 Ca 0.34 -0.79 0.08 0.00 -0.37 0.00 0.00 57.07 56.33 2c7h s TYR 62 Cb -0.17 -4.01 -0.21 0.00 -0.40 0.00 0.00 41.96 37.18 2c7h s TYR 62 CO 0.14 -1.34 -0.06 0.25 -1.57 0.00 0.00 175.55 172.98 2c7h n THR 63 N 5.65 1.47 -3.05 -0.71 -2.24 -1.26 -3.68 114.28 110.46 2c7h n THR 63 Ca -0.08 -0.69 -0.39 0.00 -2.27 0.00 0.00 64.05 60.62 2c7h n THR 63 Cb 0.44 -1.06 -0.05 0.00 -2.10 0.00 0.00 70.33 67.55 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 -6.14 7.17 0.14 3.42 -1.08 -1.26 -4.93 116.67 114.00 2c7h s ASP 64 Ca -0.24 1.40 0.17 0.00 -0.52 0.00 0.00 52.55 53.35 2c7h s ASP 64 Cb 0.08 -2.44 0.74 0.00 -1.46 0.00 0.00 42.92 39.84 2c7h s ASP 64 CO 0.70 0.08 1.51 0.47 0.52 0.00 0.00 175.17 178.45 2c7h n ASP 65 N 2.56 0.33 -0.45 -0.34 9.92 -1.26 -1.15 116.55 126.16 2c7h n ASP 65 Ca -0.04 0.60 0.14 0.00 -0.53 0.00 0.00 54.79 54.95 2c7h n ASP 65 Cb 0.50 -0.66 0.45 0.00 -0.64 0.00 0.00 41.12 40.77 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 -1.89 1.48 -4.76 -2.24 3.02 -1.26 -0.62 115.26 108.99 2c7h n ASN 66 Ca 0.02 -1.37 -0.37 0.00 -0.03 0.00 0.00 54.58 52.83 2c7h n ASN 66 Cb 0.14 0.05 0.03 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 -2.14 2.70 -0.05 5.41 0.00 -0.30 -4.74 121.76 122.65 2c7h s ALA 67 Ca 0.33 1.08 0.06 0.00 0.00 0.00 0.00 51.96 53.44 2c7h s ALA 67 Cb 0.20 -3.47 -0.02 0.00 0.00 0.00 0.00 23.12 19.84 2c7h s ALA 67 CO 0.39 -1.12 -0.23 -0.48 0.00 0.00 0.00 175.76 174.32 2c7h s LEU 68 N -3.71 2.22 -0.21 0.00 0.05 -1.26 0.10 118.68 115.86 2c7h s LEU 68 Ca 0.73 -0.43 -0.01 0.00 0.05 0.00 0.00 54.13 54.47 2c7h s LEU 68 Cb -0.33 -1.41 0.01 0.00 -2.05 0.00 0.00 46.19 42.42 2c7h s LEU 68 CO 0.37 0.29 -0.10 -0.63 -0.55 0.00 0.00 176.35 175.72 2c7h s ILE 69 N -0.41 2.74 0.50 1.48 1.09 0.15 -4.92 121.20 121.85 2c7h s ILE 69 Ca 0.04 -0.82 -0.10 0.00 -1.10 0.00 0.00 60.65 58.66 2c7h s ILE 69 Cb -0.12 -2.27 -0.05 0.00 -1.06 0.00 0.00 42.46 38.96 2c7h s ILE 69 CO 0.01 0.39 0.89 -2.16 -0.10 0.00 0.00 174.94 173.97 2c7h s PRO 70 N 1.36 3.70 0.00 2.79 0.04 -1.26 -0.78 135.00 140.85 2c7h s PRO 70 Ca 0.04 0.57 0.14 0.00 0.04 0.00 0.00 61.00 61.78 2c7h s PRO 70 Cb -0.15 -2.25 0.82 0.00 0.04 0.00 0.00 34.50 32.96 2c7h s PRO 70 CO -0.07 -0.27 1.29 0.36 0.04 0.00 0.00 177.00 178.35 2c7h n LYS 71 N -2.00 0.64 0.11 4.56 -0.00 -0.32 -1.36 118.16 119.79 2c7h n LYS 71 Ca 0.04 0.00 0.12 0.00 -0.00 0.00 0.00 58.31 58.46 2c7h n LYS 71 Cb 0.54 -1.34 0.08 0.00 -0.00 0.00 0.00 35.03 34.32 2c7h n LYS 71 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.40 176.49 2c7h h ASN 72 N 0.00 0.00 -3.48 -5.58 -0.26 -1.84 -3.44 115.58 100.97 2c7h h ASN 72 Ca 0.00 -0.06 -0.66 0.00 -0.56 0.00 0.00 56.30 55.02 2c7h h ASN 72 Cb 0.00 0.00 -0.18 0.00 -1.06 0.00 0.00 38.32 37.08 2c7h h ASN 72 CO 0.00 0.03 -0.79 -0.44 -1.06 0.00 0.00 177.43 175.17 2c7h s SER 73 N -5.19 3.91 -0.11 5.81 0.01 -0.46 -5.11 113.70 112.56 2c7h s SER 73 Ca 0.03 -0.60 -0.03 0.00 1.31 0.00 0.00 55.95 56.65 2c7h s SER 73 Cb 0.10 -0.55 -0.03 0.00 0.21 0.00 0.00 66.02 65.75 2c7h s SER 73 CO 0.75 0.15 0.02 -0.55 0.41 0.00 0.00 173.24 174.02 2c7h s SER 74 N -2.37 5.37 0.18 2.44 0.15 -1.26 -4.13 113.70 114.07 2c7h s SER 74 Ca 0.20 0.14 0.06 0.00 0.70 0.00 0.00 55.95 57.06 2c7h s SER 74 Cb -0.10 -1.63 -0.05 0.00 -1.71 0.00 0.00 66.02 62.53 2c7h s SER 74 CO 0.11 0.33 -0.13 0.68 1.20 0.00 0.00 173.24 175.44 2c7h s VAL 75 N -0.61 1.52 -0.18 4.45 -7.23 0.48 -0.14 120.40 118.69 2c7h s VAL 75 Ca 0.10 -2.13 -0.04 0.00 -1.81 0.00 0.00 61.98 58.10 2c7h s VAL 75 Cb -0.12 -1.95 -0.02 0.00 0.56 0.00 0.00 36.38 34.85 2c7h s VAL 75 CO 0.02 -0.64 -0.03 -0.63 -0.31 0.00 0.00 175.10 173.52 2c7h s ILE 76 N -3.04 3.81 -0.25 -0.62 -1.09 0.31 -1.85 121.20 118.47 2c7h s ILE 76 Ca 0.20 -0.37 -0.10 0.00 -2.23 0.00 0.00 60.65 58.15 2c7h s ILE 76 Cb 0.00 -2.70 -0.05 0.00 -1.58 0.00 0.00 42.46 38.14 2c7h s ILE 76 CO 0.04 0.46 0.14 -0.69 -1.23 0.00 0.00 174.94 173.66 2c7h s VAL 77 N 0.79 5.11 -0.13 2.92 1.01 0.85 0.17 120.40 131.13 2c7h s VAL 77 Ca -0.01 0.10 0.02 0.00 0.00 0.00 0.00 61.98 62.09 2c7h s VAL 77 Cb -0.14 -3.39 0.01 0.00 0.00 0.00 0.00 36.38 32.86 2c7h s VAL 77 CO 0.02 0.33 -0.18 -0.60 0.00 0.00 0.00 175.10 174.67 2c7h s ARG 78 N 1.28 2.56 -0.23 2.72 3.52 0.49 -3.59 118.95 125.70 2c7h s ARG 78 Ca 0.07 -0.68 -0.26 0.00 -0.13 0.00 0.00 55.73 54.72 2c7h s ARG 78 Cb -0.14 -2.15 -0.00 0.00 -1.56 0.00 0.00 34.95 31.10 2c7h s ARG 78 CO 0.06 -0.07 0.89 0.50 -0.81 0.00 0.00 175.30 175.87 2c7h s ARG 79 N 0.98 4.21 0.15 5.12 3.52 -1.26 -0.27 118.95 131.40 2c7h s ARG 79 Ca -0.05 1.06 0.09 0.00 -0.13 0.00 0.00 55.73 56.70 2c7h s ARG 79 Cb -0.15 -3.64 -0.04 0.00 -1.56 0.00 0.00 34.95 29.56 2c7h s ARG 79 CO -0.03 -0.53 -0.19 0.96 -0.81 0.00 0.00 175.30 174.69 2c7h s ILE 80 N 2.87 1.83 0.29 4.11 -5.25 -0.55 -4.93 121.20 119.57 2c7h s ILE 80 Ca 0.38 -1.83 -0.29 0.00 -0.99 0.00 0.00 60.65 57.91 2c7h s ILE 80 Cb -0.15 -1.80 -0.10 0.00 2.95 0.00 0.00 42.46 43.36 2c7h s ILE 80 CO 0.07 -0.24 1.24 -2.16 -1.79 0.00 0.00 174.94 172.07 2c7h s PRO 81 N -2.57 4.45 0.32 0.37 0.04 -1.26 0.82 135.00 137.17 2c7h s PRO 81 Ca 0.14 2.05 0.08 0.00 0.04 0.00 0.00 61.00 63.31 2c7h s PRO 81 Cb -0.07 -3.14 0.56 0.00 0.04 0.00 0.00 34.50 31.89 2c7h s PRO 81 CO 0.06 -0.08 1.75 -0.84 0.04 0.00 0.00 177.00 177.94 2c7h h ILE 82 N 3.21 1.29 0.00 0.56 3.07 -1.52 -3.41 117.51 120.71 2c7h h ILE 82 Ca -0.47 -1.39 0.00 0.00 1.55 0.00 0.00 64.86 64.55 2c7h h ILE 82 Cb 1.22 1.64 0.00 0.00 -0.27 0.00 0.00 36.82 39.41 2c7h h ILE 82 CO 0.68 0.41 0.00 0.61 -1.05 0.00 0.00 178.15 178.81 2c7h n GLY 83 N -0.32 0.00 0.00 0.16 0.00 -1.26 -4.99 105.19 98.78 2c7h n GLY 83 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 2.72 3.62 -0.02 0.00 -1.26 -4.95 105.19 105.30 2c7h n GLY 84 Ca 0.00 -2.05 -0.43 0.00 0.00 0.00 0.00 46.02 43.54 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 -2.49 4.12 -0.27 1.61 0.11 -1.26 -4.51 120.40 117.70 2c7h s VAL 85 Ca 0.00 1.22 0.02 0.00 -2.93 0.00 0.00 61.98 60.29 2c7h s VAL 85 Cb 0.00 -4.26 0.02 0.00 -1.53 0.00 0.00 36.38 30.61 2c7h s VAL 85 CO 0.00 -0.63 0.57 0.29 -3.33 0.00 0.00 175.10 172.00