#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pni n SER 1 N 0.00 0.55 0.00 1.61 2.88 -1.26 -4.41 113.62 113.00 2pni n SER 1 Ca 0.00 -0.47 0.00 0.00 -1.33 0.00 0.00 58.87 57.07 2pni n SER 1 Cb 0.00 -0.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.45 2pni n SER 1 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 2pni n MET 1 N -1.04 0.00 -3.64 -1.46 0.00 -1.26 -5.00 117.12 104.72 2pni n MET 1 Ca 0.11 0.36 -0.03 0.00 0.00 0.00 0.00 57.70 58.14 2pni n MET 1 Cb 0.31 -1.27 -0.06 0.00 0.00 0.00 0.00 33.22 32.20 2pni n MET 1 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 2pni s SER 2 N -2.07 -0.09 0.39 7.83 0.01 -1.26 -5.18 113.70 113.33 2pni s SER 2 Ca 0.00 0.14 0.00 0.00 1.31 0.00 0.00 55.95 57.40 2pni s SER 2 Cb 0.00 0.13 0.00 0.00 0.21 0.00 0.00 66.02 66.36 2pni s SER 2 CO 0.00 -0.05 0.00 0.00 0.41 0.00 0.00 173.24 173.60 2pni n ALA 3 N 1.11 0.00 -1.55 1.44 0.00 -1.26 -5.07 120.51 115.19 2pni n ALA 3 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2pni n ALA 3 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 2pni n ALA 3 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2pni n GLU 4 N -0.79 0.00 0.00 0.00 0.28 -1.26 -5.13 120.64 113.74 2pni n GLU 4 Ca 0.00 -0.47 0.00 0.00 -0.16 0.00 0.00 57.16 56.53 2pni n GLU 4 Cb 0.00 -0.35 0.00 0.00 1.43 0.00 0.00 31.44 32.52 2pni n GLU 4 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2pni n GLY 5 N 0.00 3.07 3.78 -1.84 0.00 -1.26 -4.41 105.19 104.53 2pni n GLY 5 Ca 0.00 -0.09 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 2pni n GLY 5 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2pni s TYR 6 N 0.00 3.30 0.28 1.61 2.02 -1.26 -2.16 117.35 121.14 2pni s TYR 6 Ca 0.00 0.24 0.12 0.00 -0.37 0.00 0.00 57.07 57.06 2pni s TYR 6 Cb 0.00 -1.77 -0.05 0.00 -0.40 0.00 0.00 41.96 39.74 2pni s TYR 6 CO 0.00 0.56 -0.20 -0.65 -1.57 0.00 0.00 175.55 173.69 2pni s GLN 7 N -1.55 1.67 -0.02 -0.62 -0.21 -0.61 -2.15 119.66 116.17 2pni s GLN 7 Ca 0.21 -1.76 -0.00 0.00 0.02 0.00 0.00 55.36 53.82 2pni s GLN 7 Cb -0.12 -1.76 0.02 0.00 1.00 0.00 0.00 33.01 32.16 2pni s GLN 7 CO 0.11 0.33 0.03 0.71 -2.12 0.00 0.00 175.29 174.35 2pni s TYR 8 N -2.51 0.02 -0.20 0.91 1.51 -0.94 -2.57 117.35 113.57 2pni s TYR 8 Ca 0.30 0.12 -0.20 0.00 -1.01 0.00 0.00 57.07 56.27 2pni s TYR 8 Cb -0.05 -0.19 -0.03 0.00 -0.11 0.00 0.00 41.96 41.59 2pni s TYR 8 CO 0.15 -0.07 0.60 1.03 -1.11 0.00 0.00 175.55 176.15 2pni s ARG 9 N 0.86 4.21 -0.01 -0.62 0.52 -0.20 -2.15 118.95 121.56 2pni s ARG 9 Ca -0.07 0.57 -0.37 0.00 -0.52 0.00 0.00 55.73 55.34 2pni s ARG 9 Cb -0.10 -3.57 -0.16 0.00 0.52 0.00 0.00 34.95 31.64 2pni s ARG 9 CO -0.02 -0.21 1.52 0.00 0.02 0.00 0.00 175.30 176.60 2pni n ALA 10 N 4.96 -0.33 0.11 2.13 0.00 -0.98 -0.59 120.51 125.81 2pni n ALA 10 Ca -0.02 0.46 -0.19 0.00 0.00 0.00 0.00 53.44 53.69 2pni n ALA 10 Cb 0.50 -2.18 -0.15 0.00 0.00 0.00 0.00 19.45 17.62 2pni n ALA 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2pni h LEU 11 N 5.76 0.55 -8.17 0.00 5.85 -1.37 -3.41 115.31 114.53 2pni h LEU 11 Ca -0.47 -0.60 -0.12 0.00 0.84 0.00 0.00 57.88 57.52 2pni h LEU 11 Cb 1.32 -0.18 -0.13 0.00 0.37 0.00 0.00 40.66 42.03 2pni h LEU 11 CO 0.85 1.48 -0.41 -0.31 -0.34 0.00 0.00 178.44 179.71 2pni s TYR 12 N -2.64 0.51 -0.16 1.25 2.02 -1.23 -5.01 117.35 112.09 2pni s TYR 12 Ca -0.06 -0.88 -0.29 0.00 -0.37 0.00 0.00 57.07 55.46 2pni s TYR 12 Cb 0.06 -0.17 -0.01 0.00 -0.40 0.00 0.00 41.96 41.44 2pni s TYR 12 CO 0.90 -0.66 1.17 0.16 -1.57 0.00 0.00 175.55 175.55 2pni s ASP 13 N -2.99 7.03 -0.07 2.29 1.47 -1.26 -4.61 116.67 118.52 2pni s ASP 13 Ca 0.19 1.61 0.02 0.00 1.18 0.00 0.00 52.55 55.54 2pni s ASP 13 Cb 0.04 -2.54 0.01 0.00 -0.34 0.00 0.00 42.92 40.10 2pni s ASP 13 CO 0.00 -0.69 -0.12 -0.47 0.68 0.00 0.00 175.17 174.57 2pni s TYR 14 N 3.12 1.51 0.36 2.11 5.04 -0.58 -4.96 117.35 123.94 2pni s TYR 14 Ca 0.51 -0.59 -0.01 0.00 -2.44 0.00 0.00 57.07 54.54 2pni s TYR 14 Cb -0.20 -1.12 -0.03 0.00 0.35 0.00 0.00 41.96 40.96 2pni s TYR 14 CO 0.13 -0.32 0.58 -1.59 -1.34 0.00 0.00 175.55 173.01 2pni s LYS 15 N 0.81 3.50 0.26 4.97 -2.85 -1.26 -0.42 119.74 124.75 2pni s LYS 15 Ca -0.12 -0.24 -0.11 0.00 -1.00 0.00 0.00 55.97 54.50 2pni s LYS 15 Cb -0.15 -2.63 -0.08 0.00 -2.06 0.00 0.00 37.83 32.91 2pni s LYS 15 CO 0.02 0.11 0.61 -1.59 0.10 0.00 0.00 175.35 174.60 2pni s LYS 16 N -4.30 3.85 0.00 1.78 -2.85 -1.26 -4.89 119.74 112.08 2pni s LYS 16 Ca 0.41 0.38 0.00 0.00 -1.00 0.00 0.00 55.97 55.77 2pni s LYS 16 Cb -0.10 -2.58 0.00 0.00 -2.06 0.00 0.00 37.83 33.09 2pni s LYS 16 CO 0.37 0.26 0.01 -1.91 0.10 0.00 0.00 175.35 174.18 2pni n GLU 17 N -0.25 5.56 -4.02 1.78 2.13 -1.26 -5.03 120.64 119.55 2pni n GLU 17 Ca 0.01 -0.01 -0.09 0.00 0.66 0.00 0.00 57.16 57.74 2pni n GLU 17 Cb 0.53 -0.42 -0.11 0.00 0.27 0.00 0.00 31.44 31.71 2pni n GLU 17 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 2pni s ARG 18 N -0.80 0.43 0.08 5.31 3.52 -1.26 -5.02 118.95 121.21 2pni s ARG 18 Ca 0.00 -0.83 0.06 0.00 -0.13 0.00 0.00 55.73 54.84 2pni s ARG 18 Cb 0.00 0.11 0.33 0.00 -1.56 0.00 0.00 34.95 33.83 2pni s ARG 18 CO 0.00 -0.06 1.20 -0.85 -0.81 0.00 0.00 175.30 174.78 2pni n GLU 19 N 1.09 0.04 0.10 5.12 0.28 -1.26 -1.81 120.64 124.20 2pni n GLU 19 Ca -0.21 0.51 -0.16 0.00 -0.16 0.00 0.00 57.16 57.15 2pni n GLU 19 Cb 0.57 -1.61 -0.14 0.00 1.43 0.00 0.00 31.44 31.69 2pni n GLU 19 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 2pni h GLU 20 N 0.00 0.27 -6.71 3.44 4.39 -1.97 -3.47 114.58 110.53 2pni h GLU 20 Ca 0.00 -0.46 -0.48 0.00 0.34 0.00 0.00 59.36 58.76 2pni h GLU 20 Cb 0.03 0.17 0.04 0.00 -0.10 0.00 0.00 28.75 28.88 2pni h GLU 20 CO 0.00 1.21 -0.08 -0.51 -1.16 0.00 0.00 179.01 178.47 2pni s ASP 21 N -7.13 5.03 0.24 1.42 1.01 -0.75 -2.63 116.67 113.86 2pni s ASP 21 Ca -0.04 -0.72 0.00 0.00 0.71 0.00 0.00 52.55 52.49 2pni s ASP 21 Cb 0.07 0.15 -0.03 0.00 1.01 0.00 0.00 42.92 44.12 2pni s ASP 21 CO 0.88 -1.38 0.21 0.27 0.21 0.00 0.00 175.17 175.36 2pni s ILE 22 N -2.72 0.00 -0.02 0.77 -4.36 -1.25 -4.80 121.20 108.83 2pni s ILE 22 Ca 0.62 -1.94 -0.30 0.00 -0.26 0.00 0.00 60.65 58.77 2pni s ILE 22 Cb -0.06 -2.49 -0.03 0.00 1.25 0.00 0.00 42.46 41.13 2pni s ILE 22 CO 0.39 0.00 1.03 -1.81 0.24 0.00 0.00 174.94 174.80 2pni s ASP 23 N -3.21 7.28 -0.01 4.36 1.11 -1.26 -3.99 116.67 120.96 2pni s ASP 23 Ca 0.38 1.70 0.05 0.00 0.18 0.00 0.00 52.55 54.86 2pni s ASP 23 Cb 0.05 -2.57 -0.01 0.00 1.07 0.00 0.00 42.92 41.46 2pni s ASP 23 CO 0.16 -0.35 -0.16 -0.76 1.18 0.00 0.00 175.17 175.24 2pni s LEU 24 N 1.30 2.04 0.00 1.23 1.43 0.44 -5.00 118.68 120.11 2pni s LEU 24 Ca 0.53 -0.30 0.03 0.00 -1.03 0.00 0.00 54.13 53.35 2pni s LEU 24 Cb -0.22 -0.81 -0.01 0.00 0.03 0.00 0.00 46.19 45.18 2pni s LEU 24 CO 0.26 0.19 0.10 1.41 0.23 0.00 0.00 176.35 178.54 2pni n HIS 25 N 2.63 -0.30 -2.33 0.29 8.25 -1.26 -1.52 115.22 120.97 2pni n HIS 25 Ca -0.15 -1.00 -0.33 0.00 -0.26 0.00 0.00 57.72 55.98 2pni n HIS 25 Cb 0.54 0.11 -0.02 0.00 1.12 0.00 0.00 29.99 31.75 2pni n HIS 25 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2pni s LEU 26 N 0.00 3.68 0.00 2.41 1.43 -1.26 -3.32 118.68 121.62 2pni s LEU 26 Ca 0.14 1.83 0.00 0.00 -1.03 0.00 0.00 54.13 55.07 2pni s LEU 26 Cb 0.01 -4.54 0.00 0.00 0.03 0.00 0.00 46.19 41.68 2pni s LEU 26 CO 0.10 -0.90 0.00 0.61 0.23 0.00 0.00 176.35 176.40 2pni n GLY 27 N -0.73 0.95 3.58 -3.19 0.00 -1.26 -4.92 105.19 99.61 2pni n GLY 27 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 2pni n GLY 27 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2pni s ASP 28 N -2.66 5.13 -0.22 1.61 1.11 -1.21 -4.90 116.67 115.53 2pni s ASP 28 Ca 0.00 1.55 -0.12 0.00 0.18 0.00 0.00 52.55 54.17 2pni s ASP 28 Cb 0.00 -2.51 -0.05 0.00 1.07 0.00 0.00 42.92 41.43 2pni s ASP 28 CO 0.00 -2.27 0.20 -0.63 1.18 0.00 0.00 175.17 173.66 2pni s ILE 29 N 9.55 5.34 0.22 0.77 1.01 -1.26 -2.33 121.20 134.51 2pni s ILE 29 Ca 0.98 0.30 0.06 0.00 0.00 0.00 0.00 60.65 61.99 2pni s ILE 29 Cb -0.27 -3.54 -0.04 0.00 0.01 0.00 0.00 42.46 38.63 2pni s ILE 29 CO 0.32 0.36 0.18 -0.76 0.00 0.00 0.00 174.94 175.03 2pni s LEU 30 N 0.85 3.82 0.03 2.97 1.02 -0.92 -4.54 118.68 121.92 2pni s LEU 30 Ca 0.10 -0.20 0.03 0.00 0.02 0.00 0.00 54.13 54.08 2pni s LEU 30 Cb -0.13 -2.38 -0.02 0.00 0.02 0.00 0.00 46.19 43.68 2pni s LEU 30 CO 0.03 0.00 -0.09 -0.89 0.02 0.00 0.00 176.35 175.42 2pni s THR 31 N -1.99 0.67 0.00 5.49 2.01 -0.85 -2.21 115.64 118.76 2pni s THR 31 Ca 0.32 -0.90 0.00 0.00 0.31 0.00 0.00 61.69 61.42 2pni s THR 31 Cb -0.09 -0.67 0.00 0.00 0.01 0.00 0.00 72.50 71.75 2pni s THR 31 CO 0.24 -0.19 0.00 0.52 -0.69 0.00 0.00 174.62 174.50 2pni n VAL 32 N 1.84 0.00 -2.86 3.82 0.31 -0.91 -1.22 118.33 119.31 2pni n VAL 32 Ca -0.20 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 63.82 2pni n VAL 32 Cb 0.55 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.44 2pni n VAL 32 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 2pni s ASN 33 N -0.34 6.60 -0.23 4.52 -0.87 -1.26 -4.36 114.94 118.99 2pni s ASN 33 Ca 0.00 1.23 -0.16 0.00 -1.57 0.00 0.00 52.86 52.36 2pni s ASN 33 Cb 0.00 -2.36 -0.09 0.00 -0.02 0.00 0.00 41.25 38.78 2pni s ASN 33 CO 0.00 -0.38 -0.33 2.29 -2.57 0.00 0.00 177.10 176.11 2pni n LYS 34 N -1.12 0.56 -0.39 -0.60 2.85 -1.26 -4.14 118.16 114.06 2pni n LYS 34 Ca 0.03 0.26 0.11 0.00 -1.05 0.00 0.00 58.31 57.66 2pni n LYS 34 Cb 0.54 -1.48 0.32 0.00 -0.65 0.00 0.00 35.03 33.76 2pni n LYS 34 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2pni n GLY 35 N 1.36 2.55 2.69 2.58 0.00 -1.26 -4.36 105.19 108.76 2pni n GLY 35 Ca -0.34 -0.78 -0.02 0.00 0.00 0.00 0.00 46.02 44.89 2pni n GLY 35 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2pni n SER 36 N 1.54 -0.73 0.08 1.61 2.88 -1.26 -4.88 113.62 112.85 2pni n SER 36 Ca 0.24 -2.17 0.05 0.00 -1.33 0.00 0.00 58.87 55.66 2pni n SER 36 Cb 0.64 0.40 0.48 0.00 -0.75 0.00 0.00 64.21 64.98 2pni n SER 36 CO 0.00 0.00 0.00 0.17 -1.23 0.00 0.00 175.04 173.98 2pni h LEU 37 N 1.38 0.32 0.00 2.46 8.10 -1.76 -1.96 115.31 123.85 2pni h LEU 37 Ca -0.38 -0.01 0.00 0.00 0.11 0.00 0.00 57.88 57.60 2pni h LEU 37 Cb 1.30 -0.08 0.00 0.00 -0.44 0.00 0.00 40.66 41.43 2pni h LEU 37 CO -0.10 0.25 0.16 0.52 -4.11 0.00 0.00 178.44 175.16 2pni n VAL 38 N -4.47 1.02 -0.16 0.15 0.31 -1.26 -3.06 118.33 110.86 2pni n VAL 38 Ca 0.01 0.42 0.14 0.00 -0.01 0.00 0.00 64.34 64.90 2pni n VAL 38 Cb 0.09 -1.42 0.26 0.00 -0.91 0.00 0.00 33.84 31.86 2pni n VAL 38 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2pni n ALA 39 N -1.22 0.46 0.05 3.52 0.00 -0.74 0.87 120.51 123.45 2pni n ALA 39 Ca 0.00 0.49 -0.23 0.00 0.00 0.00 0.00 53.44 53.71 2pni n ALA 39 Cb 0.16 -0.47 -0.15 0.00 0.00 0.00 0.00 19.45 18.99 2pni n ALA 39 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2pni h LEU 40 N 0.00 0.55 0.00 0.00 3.38 -1.84 -3.48 115.31 113.92 2pni h LEU 40 Ca 0.39 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 57.43 2pni h LEU 40 Cb 1.01 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.58 2pni h LEU 40 CO -0.38 1.79 0.00 0.61 0.09 0.00 0.00 178.44 180.55 2pni n GLY 41 N 1.88 1.79 3.57 0.83 0.00 0.25 -5.14 105.19 108.37 2pni n GLY 41 Ca -0.27 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.46 2pni n GLY 41 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2pni s PHE 42 N -2.00 0.83 0.12 1.61 0.08 -1.26 -5.04 117.98 112.32 2pni s PHE 42 Ca 0.00 0.68 0.07 0.00 0.12 0.00 0.00 56.93 57.80 2pni s PHE 42 Cb 0.00 -3.30 -0.04 0.00 -0.57 0.00 0.00 43.02 39.11 2pni s PHE 42 CO 0.00 -3.80 -0.08 -1.54 -0.10 0.00 0.00 175.22 169.70 2pni s SER 43 N -3.56 4.46 -0.32 1.36 1.04 -1.26 -4.76 113.70 110.67 2pni s SER 43 Ca 0.69 -0.39 -0.34 0.00 0.48 0.00 0.00 55.95 56.39 2pni s SER 43 Cb -0.14 -0.87 -0.10 0.00 0.10 0.00 0.00 66.02 65.02 2pni s SER 43 CO 0.57 0.16 2.20 -0.67 0.98 0.00 0.00 173.24 176.48 2pni n ASP 44 N 0.53 2.39 0.00 7.02 -0.08 -1.26 -4.76 116.55 120.39 2pni n ASP 44 Ca -0.13 0.36 0.00 0.00 -1.51 0.00 0.00 54.79 53.51 2pni n ASP 44 Cb 0.53 -1.33 0.00 0.00 2.34 0.00 0.00 41.12 42.66 2pni n ASP 44 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2pni n GLY 45 N 6.38 2.76 2.98 0.27 0.00 -1.26 -5.11 105.19 111.20 2pni n GLY 45 Ca 0.39 -0.37 -0.08 0.00 0.00 0.00 0.00 46.02 45.96 2pni n GLY 45 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2pni s GLN 46 N 1.80 0.70 0.25 1.61 0.74 -1.26 -4.98 119.66 118.52 2pni s GLN 46 Ca 0.00 -0.50 0.12 0.00 0.05 0.00 0.00 55.36 55.04 2pni s GLN 46 Cb 0.00 -0.31 0.67 0.00 1.10 0.00 0.00 33.01 34.47 2pni s GLN 46 CO 0.00 -1.18 1.30 0.39 -0.55 0.00 0.00 175.29 175.25 2pni n GLU 47 N 4.42 0.08 0.00 1.67 -0.58 -1.26 -1.80 120.64 123.18 2pni n GLU 47 Ca 0.10 0.54 0.00 0.00 -0.42 0.00 0.00 57.16 57.38 2pni n GLU 47 Cb 0.51 -1.95 0.00 0.00 -0.57 0.00 0.00 31.44 29.43 2pni n GLU 47 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2pni n ALA 48 N -1.58 2.35 -3.55 0.62 0.00 -1.26 -4.23 120.51 112.86 2pni n ALA 48 Ca -0.01 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.16 2pni n ALA 48 Cb 0.20 -1.00 -0.10 0.00 0.00 0.00 0.00 19.45 18.55 2pni n ALA 48 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2pni n LYS 49 N -0.43 1.29 0.21 0.00 4.01 -0.74 -4.89 118.16 117.61 2pni n LYS 49 Ca 0.00 -3.93 0.15 0.00 -0.51 0.00 0.00 58.31 54.02 2pni n LYS 49 Cb 0.03 -1.93 0.71 0.00 -0.51 0.00 0.00 35.03 33.32 2pni n LYS 49 CO 0.00 0.00 0.00 -1.00 -1.11 0.00 0.00 177.40 175.29 2pni h PRO 50 N 5.02 0.00 -0.41 1.97 0.13 -1.84 -3.24 132.00 133.63 2pni h PRO 50 Ca 0.18 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.21 2pni h PRO 50 Cb 0.80 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.92 2pni h PRO 50 CO 0.60 0.00 -0.17 0.93 -0.23 0.00 0.00 178.00 179.13 2pni h GLU 51 N 0.00 0.77 0.05 0.86 5.08 -1.92 -3.12 114.58 116.30 2pni h GLU 51 Ca 0.00 -0.28 -0.32 0.00 -1.00 0.00 0.00 59.36 57.76 2pni h GLU 51 Cb 0.22 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.39 2pni h GLU 51 CO 0.00 0.89 -1.79 1.05 -1.00 0.00 0.00 179.01 178.15 2pni h GLU 52 N 0.68 0.11 -7.08 2.33 4.11 -1.91 -3.47 114.58 109.35 2pni h GLU 52 Ca 0.11 -0.18 -0.53 0.00 0.07 0.00 0.00 59.36 58.82 2pni h GLU 52 Cb 0.66 0.07 0.11 0.00 0.50 0.00 0.00 28.75 30.09 2pni h GLU 52 CO 0.05 0.78 0.49 0.42 0.07 0.00 0.00 179.01 180.82 2pni s ILE 53 N -2.59 2.59 0.00 -1.06 1.01 -1.18 -5.03 121.20 114.94 2pni s ILE 53 Ca -0.11 0.38 0.00 0.00 0.00 0.00 0.00 60.65 60.92 2pni s ILE 53 Cb 0.07 -3.17 0.00 0.00 0.01 0.00 0.00 42.46 39.38 2pni s ILE 53 CO 0.81 -0.06 0.00 0.61 0.00 0.00 0.00 174.94 176.30 2pni n GLY 54 N 0.55 1.04 3.79 6.18 0.00 -1.26 -4.56 105.19 110.93 2pni n GLY 54 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 2pni n GLY 54 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2pni s TRP 55 N 0.65 3.73 -0.15 1.61 0.52 -1.26 -0.32 118.94 123.72 2pni s TRP 55 Ca 0.00 1.18 -0.05 0.00 0.02 0.00 0.00 56.10 57.25 2pni s TRP 55 Cb 0.00 -2.51 -0.03 0.00 -1.15 0.00 0.00 33.47 29.78 2pni s TRP 55 CO 0.00 0.48 0.01 -0.51 0.02 0.00 0.00 176.95 176.96 2pni s LEU 56 N -0.66 3.55 -0.29 2.99 1.43 -0.30 -4.88 118.68 120.53 2pni s LEU 56 Ca 0.29 0.01 -0.09 0.00 -1.03 0.00 0.00 54.13 53.31 2pni s LEU 56 Cb -0.18 -1.87 -0.02 0.00 0.03 0.00 0.00 46.19 44.15 2pni s LEU 56 CO 0.17 0.21 0.12 0.20 0.23 0.00 0.00 176.35 177.28 2pni s ASN 57 N 0.15 5.43 0.30 2.29 0.02 -1.26 -1.16 114.94 120.71 2pni s ASN 57 Ca 0.02 -0.38 -0.17 0.00 -1.02 0.00 0.00 52.86 51.30 2pni s ASN 57 Cb -0.13 -1.98 0.02 0.00 0.02 0.00 0.00 41.25 39.18 2pni s ASN 57 CO 0.02 -0.13 0.68 -0.83 0.02 0.00 0.00 177.10 176.86 2pni s GLY 58 N 1.62 0.22 0.22 0.66 0.00 -0.92 -4.77 107.32 104.34 2pni s GLY 58 Ca 0.05 -0.58 -0.10 0.00 0.00 0.00 0.00 44.72 44.09 2pni s GLY 58 CO 0.06 -0.29 0.55 -0.19 0.00 0.00 0.00 173.10 173.22 2pni s TYR 59 N -3.50 3.45 -0.54 1.90 1.51 -0.36 -2.20 117.35 117.61 2pni s TYR 59 Ca 0.15 0.89 0.07 0.00 -1.01 0.00 0.00 57.07 57.17 2pni s TYR 59 Cb -0.05 -2.27 0.33 0.00 -0.11 0.00 0.00 41.96 39.87 2pni s TYR 59 CO 0.09 0.29 0.88 -1.71 -1.11 0.00 0.00 175.55 173.99 2pni n ASN 60 N -0.00 3.61 0.22 2.29 2.85 0.07 -2.00 115.26 122.30 2pni n ASN 60 Ca -0.00 -3.51 0.17 0.00 -0.11 0.00 0.00 54.58 51.13 2pni n ASN 60 Cb 0.52 -0.58 0.77 0.00 1.24 0.00 0.00 39.78 41.73 2pni n ASN 60 CO 0.00 0.00 0.00 -0.33 -2.11 0.00 0.00 177.26 174.82 2pni h GLU 61 N 3.11 0.00 -0.32 1.20 5.08 -1.81 -1.49 114.58 120.35 2pni h GLU 61 Ca 0.13 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.56 2pni h GLU 61 Cb 0.62 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.80 2pni h GLU 61 CO 0.75 0.00 -0.11 1.15 -1.00 0.00 0.00 179.01 179.80 2pni h THR 62 N 0.00 0.62 -0.19 1.13 2.02 -1.87 -1.23 112.91 113.38 2pni h THR 62 Ca 0.09 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.27 2pni h THR 62 Cb 0.88 0.62 0.00 0.00 -1.74 0.00 0.00 68.15 67.91 2pni h THR 62 CO -0.00 0.00 0.00 0.35 0.37 0.00 0.00 175.52 176.24 2pni n THR 63 N -5.29 0.23 -2.22 3.16 -2.24 -0.64 -4.93 114.28 102.35 2pni n THR 63 Ca 0.00 -0.47 -0.14 0.00 -2.27 0.00 0.00 64.05 61.17 2pni n THR 63 Cb 0.21 0.73 -0.01 0.00 -2.10 0.00 0.00 70.33 69.16 2pni n THR 63 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pni n GLY 64 N 1.28 -0.12 3.60 3.38 0.00 -0.47 -5.01 105.19 107.85 2pni n GLY 64 Ca 0.17 -0.29 -0.27 0.00 0.00 0.00 0.00 46.02 45.62 2pni n GLY 64 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pni s GLU 65 N -4.62 1.95 -0.05 1.61 0.41 -0.75 -4.94 118.70 112.31 2pni s GLU 65 Ca 0.00 -2.16 -0.15 0.00 -0.41 0.00 0.00 54.97 52.25 2pni s GLU 65 Cb 0.00 -1.22 0.03 0.00 -1.78 0.00 0.00 34.13 31.16 2pni s GLU 65 CO 0.00 -0.25 0.35 -0.98 -0.49 0.00 0.00 175.26 173.89 2pni s ARG 66 N -3.80 0.64 0.00 1.61 1.70 -1.26 -0.75 118.95 117.08 2pni s ARG 66 Ca 0.25 0.02 0.00 0.00 -0.47 0.00 0.00 55.73 55.52 2pni s ARG 66 Cb 0.06 0.29 0.00 0.00 -0.57 0.00 0.00 34.95 34.73 2pni s ARG 66 CO 0.12 -0.16 0.00 0.41 -1.08 0.00 0.00 175.30 174.59 2pni n GLY 67 N 1.65 -0.64 3.92 3.88 0.00 -0.94 -4.90 105.19 108.16 2pni n GLY 67 Ca -0.19 -0.55 -0.27 0.00 0.00 0.00 0.00 46.02 45.00 2pni n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2pni s ASP 68 N -4.00 6.39 -0.19 1.61 1.01 -1.08 -2.17 116.67 118.25 2pni s ASP 68 Ca 0.00 0.49 -0.23 0.00 0.71 0.00 0.00 52.55 53.52 2pni s ASP 68 Cb 0.00 -2.05 0.06 0.00 1.01 0.00 0.00 42.92 41.94 2pni s ASP 68 CO 0.00 -0.11 0.61 0.72 0.21 0.00 0.00 175.17 176.60 2pni s PHE 69 N -1.97 -0.65 0.66 4.23 -0.71 -0.31 -3.78 117.98 115.45 2pni s PHE 69 Ca 0.40 1.49 -0.17 0.00 -1.04 0.00 0.00 56.93 57.60 2pni s PHE 69 Cb -0.11 0.26 -0.02 0.00 -1.21 0.00 0.00 43.02 41.94 2pni s PHE 69 CO 0.30 -0.38 1.04 -2.30 -1.34 0.00 0.00 175.22 172.54 2pni n PRO 70 N 2.34 0.79 0.00 1.99 -0.02 -1.26 -1.14 135.00 137.69 2pni n PRO 70 Ca -0.15 0.32 0.13 0.00 -2.02 0.00 0.00 63.50 61.78 2pni n PRO 70 Cb 0.56 -2.27 0.47 0.00 -0.02 0.00 0.00 33.50 32.24 2pni n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pni n GLY 71 N 1.14 -0.67 0.80 -1.23 0.00 0.56 -3.87 105.19 101.93 2pni n GLY 71 Ca 0.14 -0.36 0.09 0.00 0.00 0.00 0.00 46.02 45.90 2pni n GLY 71 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2pni n THR 72 N -0.68 0.14 0.68 2.61 5.66 -1.26 -4.21 114.28 117.22 2pni n THR 72 Ca 0.14 -0.57 0.07 0.00 -3.05 0.00 0.00 64.05 60.64 2pni n THR 72 Cb 0.32 1.27 -0.07 0.00 -1.55 0.00 0.00 70.33 70.30 2pni n THR 72 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 175.07 170.80 2pni n TYR 73 N 1.09 0.00 -4.13 1.09 4.02 -1.25 -5.02 117.16 112.97 2pni n TYR 73 Ca 0.12 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 57.94 2pni n TYR 73 Cb 0.48 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.79 2pni n TYR 73 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 176.86 177.18 2pni n VAL 74 N -1.22 0.00 -3.68 -0.72 0.24 -1.26 -1.08 118.33 110.61 2pni n VAL 74 Ca 0.03 -0.53 -0.11 0.00 -2.04 0.00 0.00 64.34 61.70 2pni n VAL 74 Cb 0.24 0.07 -0.11 0.00 -1.47 0.00 0.00 33.84 32.56 2pni n VAL 74 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2pni s GLU 75 N -2.41 0.29 0.13 7.34 2.56 0.25 -4.67 118.70 122.19 2pni s GLU 75 Ca 0.00 0.83 -0.35 0.00 0.00 0.00 0.00 54.97 55.46 2pni s GLU 75 Cb -0.00 0.08 -0.16 0.00 2.00 0.00 0.00 34.13 36.06 2pni s GLU 75 CO 0.00 -0.22 1.33 0.98 -0.56 0.00 0.00 175.26 176.80 2pni n TYR 76 N 4.88 1.61 -0.06 5.30 4.19 -1.26 -1.03 117.16 130.79 2pni n TYR 76 Ca -0.15 0.58 -0.13 0.00 3.31 0.00 0.00 57.90 61.52 2pni n TYR 76 Cb 0.52 -2.36 -0.04 0.00 0.49 0.00 0.00 39.34 37.95 2pni n TYR 76 CO 0.00 0.00 0.00 0.44 0.91 0.00 0.00 176.86 178.21 2pni n ILE 77 N 2.32 1.05 -3.80 2.97 -5.35 -1.06 -4.85 119.36 110.65 2pni n ILE 77 Ca 0.17 -0.04 -0.05 0.00 -0.27 0.00 0.00 62.75 62.56 2pni n ILE 77 Cb 0.23 -1.83 -0.01 0.00 -1.74 0.00 0.00 39.64 36.29 2pni n ILE 77 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2pni s GLY 78 N -5.00 -0.13 0.16 3.28 0.00 -1.25 -5.06 107.32 99.31 2pni s GLY 78 Ca -0.20 -0.07 -0.18 0.00 0.00 0.00 0.00 44.72 44.26 2pni s GLY 78 CO 0.26 0.15 0.49 1.09 0.00 0.00 0.00 173.10 175.09 2pni s ARG 79 N -3.30 1.22 -0.17 2.90 3.03 -1.26 -1.58 118.95 119.78 2pni s ARG 79 Ca 0.13 -0.69 -0.07 0.00 2.03 0.00 0.00 55.73 57.13 2pni s ARG 79 Cb -0.03 0.52 -0.04 0.00 -1.03 0.00 0.00 34.95 34.37 2pni s ARG 79 CO 0.04 -0.51 0.04 0.15 -1.13 0.00 0.00 175.30 173.90 2pni s LYS 80 N -3.81 3.90 -1.00 3.89 1.02 -0.92 -4.99 119.74 117.83 2pni s LYS 80 Ca 0.04 -0.37 -0.23 0.00 0.02 0.00 0.00 55.97 55.43 2pni s LYS 80 Cb 0.00 -3.15 0.04 0.00 -0.52 0.00 0.00 37.83 34.20 2pni s LYS 80 CO -0.09 0.28 1.51 0.21 -0.92 0.00 0.00 175.35 176.33 2pni s LYS 81 N 0.33 3.46 -0.41 1.68 2.20 -1.26 -4.76 119.74 120.97 2pni s LYS 81 Ca 0.02 -1.00 0.09 0.00 -0.36 0.00 0.00 55.97 54.72 2pni s LYS 81 Cb -0.13 -5.29 0.29 0.00 -1.51 0.00 0.00 37.83 31.19 2pni s LYS 81 CO 0.01 -2.35 0.73 1.51 -0.36 0.00 0.00 175.35 174.89 2pni n ILE 82 N 7.00 -0.32 -3.13 5.43 3.06 -1.26 -5.00 119.36 125.14 2pni n ILE 82 Ca 0.33 -3.46 -0.21 0.00 -2.50 0.00 0.00 62.75 56.91 2pni n ILE 82 Cb 0.50 -0.39 -0.05 0.00 0.54 0.00 0.00 39.64 40.25 2pni n ILE 82 CO 0.00 0.00 0.00 -1.20 -2.50 0.00 0.00 176.55 172.85 2pni n SER 83 N 0.94 -0.12 0.00 9.51 7.64 -1.26 -4.29 113.62 126.04 2pni n SER 83 Ca 0.18 -2.84 0.03 0.00 1.01 0.00 0.00 58.87 57.25 2pni n SER 83 Cb 0.61 -0.29 0.17 0.00 -1.01 0.00 0.00 64.21 63.69 2pni n SER 83 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22