#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pni h SER 1 N 0.00 0.00 0.00 1.61 0.87 -2.06 -3.47 113.55 110.50 2pni h SER 1 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2pni h SER 1 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2pni h SER 1 CO 0.00 0.76 0.00 0.80 -0.53 0.00 0.00 176.83 177.86 2pni n MET 1 N -3.21 0.00 -3.68 2.24 0.00 -1.26 -4.83 117.12 106.38 2pni n MET 1 Ca -0.02 0.00 -0.14 0.00 -0.00 0.00 0.00 57.70 57.54 2pni n MET 1 Cb 0.86 -0.69 -0.08 0.00 0.00 0.00 0.00 33.22 33.31 2pni n MET 1 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 2pni s SER 2 N 0.00 -0.55 -0.34 6.12 0.15 -1.26 -5.11 113.70 112.71 2pni s SER 2 Ca 0.00 1.00 -0.29 0.00 0.70 0.00 0.00 55.95 57.36 2pni s SER 2 Cb 0.00 1.01 -0.00 0.00 -1.71 0.00 0.00 66.02 65.32 2pni s SER 2 CO 0.00 -0.25 1.43 0.00 1.20 0.00 0.00 173.24 175.62 2pni s ALA 3 N 0.02 3.18 -0.35 5.45 0.00 -1.26 -4.94 121.76 123.86 2pni s ALA 3 Ca -0.02 0.06 0.00 0.00 0.00 0.00 0.00 51.96 52.00 2pni s ALA 3 Cb -0.04 -3.88 0.11 0.00 0.00 0.00 0.00 23.12 19.32 2pni s ALA 3 CO 0.02 -2.13 0.14 -1.21 0.00 0.00 0.00 175.76 172.58 2pni s GLU 4 N 4.68 0.89 0.00 0.00 2.02 -1.26 -5.12 118.70 119.91 2pni s GLU 4 Ca 0.62 -1.36 0.00 0.00 0.02 0.00 0.00 54.97 54.25 2pni s GLU 4 Cb -0.17 -2.10 0.00 0.00 0.10 0.00 0.00 34.13 31.96 2pni s GLU 4 CO 0.29 -1.04 0.00 0.41 0.02 0.00 0.00 175.26 174.94 2pni n GLY 5 N 4.44 -2.24 3.91 -1.39 0.00 -1.26 -4.36 105.19 104.29 2pni n GLY 5 Ca 0.02 -1.07 -0.31 0.00 0.00 0.00 0.00 46.02 44.66 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 3.49 0.25 1.61 2.02 -1.08 -3.90 117.35 119.74 2pni s TYR 6 Ca 0.00 0.44 0.07 0.00 -0.37 0.00 0.00 57.07 57.21 2pni s TYR 6 Cb 0.00 -1.92 -0.05 0.00 -0.40 0.00 0.00 41.96 39.59 2pni s TYR 6 CO 0.00 0.46 -0.08 -0.65 -1.57 0.00 0.00 175.55 173.71 2pni s GLN 7 N -2.73 1.47 0.06 -0.62 -0.21 -0.67 -2.30 119.66 114.67 2pni s GLN 7 Ca 0.39 -1.72 -0.00 0.00 0.02 0.00 0.00 55.36 54.05 2pni s GLN 7 Cb -0.12 -1.13 -0.04 0.00 1.00 0.00 0.00 33.01 32.72 2pni s GLN 7 CO 0.26 0.08 -0.04 0.71 -2.12 0.00 0.00 175.29 174.19 2pni s TYR 8 N -3.01 0.61 -0.15 0.91 1.51 -0.90 -2.58 117.35 113.74 2pni s TYR 8 Ca 0.27 -1.04 0.00 0.00 -1.01 0.00 0.00 57.07 55.29 2pni s TYR 8 Cb 0.02 -0.42 0.03 0.00 -0.11 0.00 0.00 41.96 41.48 2pni s TYR 8 CO 0.10 -0.33 -0.10 0.50 -1.11 0.00 0.00 175.55 174.60 2pni s ARG 9 N -3.90 1.91 0.16 -0.62 3.52 0.08 -1.45 118.95 118.65 2pni s ARG 9 Ca 0.08 -0.49 -0.34 0.00 -0.13 0.00 0.00 55.73 54.85 2pni s ARG 9 Cb 0.07 -1.97 -0.14 0.00 -1.56 0.00 0.00 34.95 31.35 2pni s ARG 9 CO -0.09 -0.30 1.50 0.00 -0.81 0.00 0.00 175.30 175.61 2pni n ALA 10 N 4.83 0.86 -0.02 6.12 0.00 -0.91 -0.28 120.51 131.11 2pni n ALA 10 Ca -0.15 0.45 -0.20 0.00 0.00 0.00 0.00 53.44 53.55 2pni n ALA 10 Cb 0.49 -2.28 -0.13 0.00 0.00 0.00 0.00 19.45 17.53 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 5.38 0.26 -7.97 0.00 5.85 -1.44 -3.40 115.31 113.98 2pni h LEU 11 Ca -0.45 -0.82 -0.12 0.00 0.84 0.00 0.00 57.88 57.33 2pni h LEU 11 Cb 1.27 -0.08 -0.17 0.00 0.37 0.00 0.00 40.66 42.05 2pni h LEU 11 CO 0.85 1.49 -0.54 -0.31 -0.34 0.00 0.00 178.44 179.58 2pni s TYR 12 N -2.41 0.27 -0.19 1.25 1.51 -1.25 -4.98 117.35 111.54 2pni s TYR 12 Ca -0.21 -0.65 -0.28 0.00 -1.01 0.00 0.00 57.07 54.92 2pni s TYR 12 Cb 0.03 -0.19 -0.05 0.00 -0.11 0.00 0.00 41.96 41.64 2pni s TYR 12 CO 0.73 -0.39 2.13 0.16 -1.11 0.00 0.00 175.55 177.06 2pni s ASP 13 N -2.40 5.66 -0.07 2.29 1.47 -1.26 -4.67 116.67 117.69 2pni s ASP 13 Ca -0.01 1.94 0.05 0.00 1.18 0.00 0.00 52.55 55.71 2pni s ASP 13 Cb 0.02 -2.52 -0.01 0.00 -0.34 0.00 0.00 42.92 40.07 2pni s ASP 13 CO -0.07 -1.79 -0.23 -0.47 0.68 0.00 0.00 175.17 173.29 2pni s TYR 14 N 7.53 2.37 0.46 2.11 5.04 -0.42 -4.98 117.35 129.45 2pni s TYR 14 Ca 0.96 -0.80 -0.03 0.00 -2.44 0.00 0.00 57.07 54.76 2pni s TYR 14 Cb -0.33 -1.57 -0.02 0.00 0.35 0.00 0.00 41.96 40.39 2pni s TYR 14 CO 0.36 -0.28 0.72 0.15 -1.34 0.00 0.00 175.55 175.16 2pni s LYS 15 N 0.05 3.32 0.21 4.97 1.02 -1.26 -1.17 119.74 126.88 2pni s LYS 15 Ca -0.09 -0.11 -0.13 0.00 0.02 0.00 0.00 55.97 55.66 2pni s LYS 15 Cb -0.15 -2.47 -0.07 0.00 -0.52 0.00 0.00 37.83 34.62 2pni s LYS 15 CO 0.05 -0.22 0.58 -1.59 -0.92 0.00 0.00 175.35 173.26 2pni s LYS 16 N -4.64 3.93 0.00 1.68 -2.85 -1.26 -4.87 119.74 111.73 2pni s LYS 16 Ca 0.47 0.45 0.03 0.00 -1.00 0.00 0.00 55.97 55.91 2pni s LYS 16 Cb -0.10 -2.75 -0.00 0.00 -2.06 0.00 0.00 37.83 32.92 2pni s LYS 16 CO 0.41 0.37 0.37 -1.91 0.10 0.00 0.00 175.35 174.69 2pni n GLU 17 N 0.28 2.47 -3.82 1.78 2.13 -1.26 -5.03 120.64 117.19 2pni n GLU 17 Ca -0.02 -0.37 -0.12 0.00 0.66 0.00 0.00 57.16 57.32 2pni n GLU 17 Cb 0.52 -0.86 -0.10 0.00 0.27 0.00 0.00 31.44 31.28 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 -0.69 0.52 0.63 5.31 6.06 -1.26 -5.01 118.95 124.51 2pni s ARG 18 Ca 0.02 -0.25 0.29 0.00 -2.50 0.00 0.00 55.73 53.29 2pni s ARG 18 Cb 0.02 0.23 1.53 0.00 0.06 0.00 0.00 34.95 36.78 2pni s ARG 18 CO 0.07 -0.13 1.89 1.05 -2.50 0.00 0.00 175.30 175.68 2pni h GLU 19 N 4.30 0.00 -0.18 5.12 4.11 -2.03 -1.80 114.58 124.11 2pni h GLU 19 Ca -0.30 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.06 2pni h GLU 19 Cb 1.19 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.43 2pni h GLU 19 CO 0.40 0.00 -0.17 0.93 0.07 0.00 0.00 179.01 180.24 2pni h GLU 20 N 0.00 0.42 -6.64 1.06 4.39 -1.97 -3.45 114.58 108.39 2pni h GLU 20 Ca 0.09 -0.22 -0.49 0.00 0.34 0.00 0.00 59.36 59.08 2pni h GLU 20 Cb 0.90 0.01 0.01 0.00 -0.10 0.00 0.00 28.75 29.57 2pni h GLU 20 CO -0.00 0.78 -0.08 0.34 -1.16 0.00 0.00 179.01 178.89 2pni s ASP 21 N -6.20 6.34 0.42 1.42 2.15 -0.68 -3.55 116.67 116.58 2pni s ASP 21 Ca -0.14 0.69 0.07 0.00 0.43 0.00 0.00 52.55 53.61 2pni s ASP 21 Cb 0.06 -2.14 -0.05 0.00 -0.30 0.00 0.00 42.92 40.49 2pni s ASP 21 CO 0.77 -0.35 0.15 0.27 -0.17 0.00 0.00 175.17 175.84 2pni s ILE 22 N -2.37 2.17 0.18 4.11 -4.36 -1.25 -4.70 121.20 114.99 2pni s ILE 22 Ca 0.44 -1.76 -0.30 0.00 -0.26 0.00 0.00 60.65 58.77 2pni s ILE 22 Cb -0.10 -2.93 -0.07 0.00 1.25 0.00 0.00 42.46 40.60 2pni s ILE 22 CO 0.36 0.00 1.02 -1.81 0.24 0.00 0.00 174.94 174.76 2pni s ASP 23 N -3.88 7.42 -0.06 4.36 1.11 -1.26 -4.29 116.67 120.06 2pni s ASP 23 Ca 0.38 1.98 0.04 0.00 0.18 0.00 0.00 52.55 55.14 2pni s ASP 23 Cb 0.05 -2.60 0.00 0.00 1.07 0.00 0.00 42.92 41.44 2pni s ASP 23 CO 0.21 -0.09 -0.17 -0.76 1.18 0.00 0.00 175.17 175.53 2pni s LEU 24 N -0.50 1.89 0.00 1.23 1.43 -0.32 -5.01 118.68 117.40 2pni s LEU 24 Ca 0.47 -0.38 0.00 0.00 -1.03 0.00 0.00 54.13 53.19 2pni s LEU 24 Cb -0.27 -1.02 0.00 0.00 0.03 0.00 0.00 46.19 44.93 2pni s LEU 24 CO 0.33 0.13 0.00 1.41 0.23 0.00 0.00 176.35 178.45 2pni n HIS 25 N 3.34 0.00 -2.94 0.29 8.25 -1.26 -1.30 115.22 121.59 2pni n HIS 25 Ca -0.19 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 56.99 2pni n HIS 25 Cb 0.53 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.62 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 3.81 0.00 2.41 1.43 -1.26 -4.12 118.68 120.95 2pni s LEU 26 Ca 0.00 0.85 0.00 0.00 -1.03 0.00 0.00 54.13 53.95 2pni s LEU 26 Cb 0.00 -3.74 0.00 0.00 0.03 0.00 0.00 46.19 42.48 2pni s LEU 26 CO 0.00 -0.42 0.00 0.61 0.23 0.00 0.00 176.35 176.77 2pni n GLY 27 N -1.74 0.00 3.59 -3.19 0.00 -1.26 -4.88 105.19 97.71 2pni n GLY 27 Ca -0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.87 6.32 0.23 1.61 1.11 -1.26 -4.90 116.67 117.92 2pni s ASP 28 Ca 0.00 0.60 -0.10 0.00 0.18 0.00 0.00 52.55 53.22 2pni s ASP 28 Cb 0.00 -2.54 -0.07 0.00 1.07 0.00 0.00 42.92 41.37 2pni s ASP 28 CO 0.00 -1.49 0.56 -0.51 1.18 0.00 0.00 175.17 174.91 2pni s ILE 29 N 5.46 4.91 0.15 0.77 1.10 -1.26 -2.15 121.20 130.18 2pni s ILE 29 Ca 0.56 0.52 0.11 0.00 -0.51 0.00 0.00 60.65 61.33 2pni s ILE 29 Cb -0.12 -3.62 -0.04 0.00 0.15 0.00 0.00 42.46 38.83 2pni s ILE 29 CO 0.30 -0.06 -0.23 -0.76 -2.11 0.00 0.00 174.94 172.08 2pni s LEU 30 N -2.77 2.46 0.04 8.50 1.02 -0.53 -4.55 118.68 122.86 2pni s LEU 30 Ca 0.47 -0.75 0.04 0.00 0.02 0.00 0.00 54.13 53.90 2pni s LEU 30 Cb -0.11 -1.28 -0.02 0.00 0.02 0.00 0.00 46.19 44.80 2pni s LEU 30 CO 0.21 0.15 -0.11 -0.89 0.02 0.00 0.00 176.35 175.73 2pni s THR 31 N -1.34 0.82 0.00 5.49 2.01 -1.03 -2.11 115.64 119.48 2pni s THR 31 Ca 0.18 -0.93 0.00 0.00 0.31 0.00 0.00 61.69 61.25 2pni s THR 31 Cb -0.09 -0.79 0.00 0.00 0.01 0.00 0.00 72.50 71.63 2pni s THR 31 CO 0.09 -0.12 0.00 0.52 -0.69 0.00 0.00 174.62 174.42 2pni n VAL 32 N 1.88 0.00 -1.45 3.82 0.31 -0.97 -3.11 118.33 118.80 2pni n VAL 32 Ca -0.19 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 63.84 2pni n VAL 32 Cb 0.55 0.00 0.23 0.00 -0.91 0.00 0.00 33.84 33.71 2pni n VAL 32 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 2pni s ASN 33 N 1.00 1.61 -0.06 4.52 3.84 -1.26 -4.17 114.94 120.41 2pni s ASN 33 Ca 0.00 0.37 0.01 0.00 0.21 0.00 0.00 52.86 53.45 2pni s ASN 33 Cb 0.00 -0.44 -0.05 0.00 -0.55 0.00 0.00 41.25 40.21 2pni s ASN 33 CO 0.00 -3.67 -0.05 2.29 -2.79 0.00 0.00 177.10 172.88 2pni n LYS 34 N -4.42 0.50 -2.73 0.43 2.85 -1.26 -2.63 118.16 110.90 2pni n LYS 34 Ca 0.16 0.03 -0.02 0.00 -1.05 0.00 0.00 58.31 57.43 2pni n LYS 34 Cb 0.60 -1.13 0.09 0.00 -0.65 0.00 0.00 35.03 33.94 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 3.13 1.85 2.40 2.58 0.00 -1.26 -4.68 105.19 109.21 2pni n GLY 35 Ca -0.11 -0.56 -0.18 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.02 -0.98 0.31 1.61 2.88 -1.26 -4.93 113.62 110.23 2pni n SER 36 Ca -0.06 -2.94 0.12 0.00 -1.33 0.00 0.00 58.87 54.66 2pni n SER 36 Cb 0.84 0.31 0.64 0.00 -0.75 0.00 0.00 64.21 65.25 2pni n SER 36 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2pni h LEU 37 N 3.97 0.00 -2.09 2.46 3.38 -1.91 -1.87 115.31 119.25 2pni h LEU 37 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2pni h LEU 37 Cb 0.94 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.69 2pni h LEU 37 CO 0.41 0.00 0.00 0.58 0.09 0.00 0.00 178.44 179.52 2pni h VAL 38 N 0.00 0.00 -0.06 1.22 2.07 -1.92 -0.34 116.25 117.22 2pni h VAL 38 Ca 0.00 -0.03 0.02 0.00 0.82 0.00 0.00 66.70 67.51 2pni h VAL 38 Cb 0.86 0.76 -0.00 0.00 -1.52 0.00 0.00 31.29 31.39 2pni h VAL 38 CO 0.00 0.00 0.35 0.00 0.02 0.00 0.00 177.57 177.94 2pni h ALA 39 N 2.01 1.44 0.00 1.67 0.00 -1.73 -2.25 119.26 120.41 2pni h ALA 39 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2pni h ALA 39 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2pni h ALA 39 CO 0.00 -0.38 0.00 1.28 0.00 0.00 0.00 179.25 180.15 2pni n LEU 40 N -3.00 0.82 -2.26 0.00 4.77 -0.20 -4.88 117.00 112.24 2pni n LEU 40 Ca -0.01 -0.82 -0.20 0.00 -0.03 0.00 0.00 56.01 54.96 2pni n LEU 40 Cb 0.41 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.49 2pni n LEU 40 CO 0.15 0.20 -0.25 0.61 -1.33 0.00 0.00 177.39 176.78 2pni n GLY 41 N -0.14 -0.45 3.91 -0.72 0.00 -0.85 -4.99 105.19 101.96 2pni n GLY 41 Ca 0.00 -0.05 -0.28 0.00 0.00 0.00 0.00 46.02 45.69 2pni n GLY 41 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2pni s PHE 42 N -2.99 3.00 0.00 1.61 5.36 -0.82 -4.95 117.98 119.19 2pni s PHE 42 Ca 0.00 0.64 0.00 0.00 -0.96 0.00 0.00 56.93 56.61 2pni s PHE 42 Cb -0.00 -3.26 0.00 0.00 -0.34 0.00 0.00 43.02 39.41 2pni s PHE 42 CO 0.00 -1.48 0.00 -1.13 -1.46 0.00 0.00 175.22 171.15 2pni n SER 43 N -3.06 0.17 -4.56 6.13 3.41 -1.26 -4.52 113.62 109.93 2pni n SER 43 Ca 0.08 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.42 2pni n SER 43 Cb 0.60 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.50 2pni n SER 43 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2pni s ASP 44 N 1.00 4.60 0.00 4.04 -1.08 -1.26 -4.73 116.67 119.24 2pni s ASP 44 Ca 0.00 0.10 0.00 0.00 -0.52 0.00 0.00 52.55 52.13 2pni s ASP 44 Cb 0.00 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.92 2pni s ASP 44 CO 0.00 -3.09 0.00 0.61 0.52 0.00 0.00 175.17 173.21 2pni n GLY 45 N 6.47 1.82 0.00 2.66 0.00 -1.26 -5.10 105.19 109.77 2pni n GLY 45 Ca 0.38 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.29 2pni n GLY 45 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2pni n GLN 46 N 0.00 0.00 -3.54 1.61 6.02 -1.26 -5.07 117.38 115.14 2pni n GLN 46 Ca 0.00 0.00 -0.24 0.00 -0.01 0.00 0.00 57.00 56.75 2pni n GLN 46 Cb 0.00 -0.14 0.05 0.00 1.02 0.00 0.00 30.24 31.17 2pni n GLN 46 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2pni n GLU 47 N -1.36 -2.55 0.00 -1.09 1.02 -1.26 -4.83 120.64 110.56 2pni n GLU 47 Ca 0.00 0.63 0.00 0.00 -0.02 0.00 0.00 57.16 57.77 2pni n GLU 47 Cb 0.00 -4.96 0.00 0.00 -0.02 0.00 0.00 31.44 26.46 2pni n GLU 47 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2pni n ALA 48 N -3.90 0.00 -3.86 0.62 0.00 -1.26 -5.02 120.51 107.09 2pni n ALA 48 Ca -0.14 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.02 2pni n ALA 48 Cb 0.62 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.95 2pni n ALA 48 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2pni s LYS 49 N 0.00 2.19 0.67 0.00 1.02 -1.26 -4.78 119.74 117.57 2pni s LYS 49 Ca 0.00 -3.05 0.29 0.00 0.02 0.00 0.00 55.97 53.23 2pni s LYS 49 Cb 0.00 -3.18 1.57 0.00 -0.52 0.00 0.00 37.83 35.70 2pni s LYS 49 CO 0.00 -1.26 1.88 -1.35 -0.92 0.00 0.00 175.35 173.70 2pni h PRO 50 N 5.67 0.00 -0.74 -1.68 0.11 -1.91 -2.02 132.00 131.43 2pni h PRO 50 Ca 0.11 0.00 0.06 0.00 0.11 0.00 0.00 66.00 66.28 2pni h PRO 50 Cb 0.80 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.85 2pni h PRO 50 CO 0.67 0.00 0.43 0.93 -0.21 0.00 0.00 178.00 179.82 2pni h GLU 51 N 0.00 0.76 0.00 1.05 4.39 -1.92 -3.05 114.58 115.82 2pni h GLU 51 Ca 0.00 -0.05 -0.26 0.00 0.34 0.00 0.00 59.36 59.39 2pni h GLU 51 Cb 0.72 -0.17 -0.05 0.00 -0.10 0.00 0.00 28.75 29.15 2pni h GLU 51 CO 0.00 0.50 -1.63 -0.85 -1.16 0.00 0.00 179.01 175.87 2pni n GLU 52 N -4.73 0.63 -2.08 2.33 0.28 -0.77 -4.86 120.64 111.45 2pni n GLU 52 Ca 0.10 0.29 -0.38 0.00 -0.16 0.00 0.00 57.16 57.01 2pni n GLU 52 Cb 0.18 -1.80 0.01 0.00 1.43 0.00 0.00 31.44 31.25 2pni n GLU 52 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 2pni s ILE 53 N -2.67 2.70 0.00 3.84 1.01 -1.15 -4.99 121.20 119.94 2pni s ILE 53 Ca -0.04 0.55 0.00 0.00 0.00 0.00 0.00 60.65 61.16 2pni s ILE 53 Cb 0.08 -3.29 0.00 0.00 0.01 0.00 0.00 42.46 39.26 2pni s ILE 53 CO 0.82 0.02 0.00 0.61 0.00 0.00 0.00 174.94 176.39 2pni n GLY 54 N 0.58 -0.12 3.08 6.18 0.00 -1.26 -4.47 105.19 109.18 2pni n GLY 54 Ca 0.07 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.67 1.50 0.03 1.61 0.52 -1.26 -1.88 118.94 118.79 2pni s TRP 55 Ca 0.00 -0.46 0.06 0.00 0.02 0.00 0.00 56.10 55.72 2pni s TRP 55 Cb 0.00 -1.04 -0.02 0.00 -1.15 0.00 0.00 33.47 31.26 2pni s TRP 55 CO 0.00 -0.19 -0.17 -0.48 0.02 0.00 0.00 176.95 176.13 2pni s LEU 56 N 0.26 2.15 0.17 2.99 2.34 -1.03 -4.98 118.68 120.58 2pni s LEU 56 Ca -0.07 -0.46 -0.15 0.00 0.06 0.00 0.00 54.13 53.51 2pni s LEU 56 Cb -0.12 -0.81 -0.07 0.00 -0.56 0.00 0.00 46.19 44.63 2pni s LEU 56 CO 0.02 0.12 0.58 0.21 -1.06 0.00 0.00 176.35 176.22 2pni s ASN 57 N -1.04 6.84 0.13 1.48 3.04 -1.26 -2.39 114.94 121.73 2pni s ASN 57 Ca 0.05 1.12 -0.24 0.00 0.04 0.00 0.00 52.86 53.83 2pni s ASN 57 Cb -0.08 -2.30 0.08 0.00 -1.54 0.00 0.00 41.25 37.41 2pni s ASN 57 CO 0.01 0.06 1.11 -0.83 -3.04 0.00 0.00 177.10 174.42 2pni s GLY 58 N -1.79 0.07 0.01 1.21 0.00 -1.00 -4.89 107.32 100.92 2pni s GLY 58 Ca 0.40 -0.27 0.05 0.00 0.00 0.00 0.00 44.72 44.90 2pni s GLY 58 CO 0.20 3.61 -0.15 -2.52 0.00 0.00 0.00 173.10 174.23 2pni s TYR 59 N -2.07 1.31 -0.77 1.90 1.13 -1.18 -2.40 117.35 115.28 2pni s TYR 59 Ca 0.25 -0.29 0.00 0.00 -1.41 0.00 0.00 57.07 55.62 2pni s TYR 59 Cb -0.02 -0.82 0.19 0.00 -1.10 0.00 0.00 41.96 40.21 2pni s TYR 59 CO 0.04 0.00 0.61 1.21 -2.51 0.00 0.00 175.55 174.90 2pni s ASN 60 N -0.65 5.44 0.57 -0.18 3.04 -0.58 -2.48 114.94 120.10 2pni s ASN 60 Ca 0.05 -3.56 0.27 0.00 0.04 0.00 0.00 52.86 49.65 2pni s ASN 60 Cb -0.06 -1.81 1.53 0.00 -1.54 0.00 0.00 41.25 39.37 2pni s ASN 60 CO 0.00 -0.19 2.05 1.05 -3.04 0.00 0.00 177.10 176.97 2pni h GLU 61 N 6.06 0.00 -0.84 0.43 4.11 -1.80 0.19 114.58 122.72 2pni h GLU 61 Ca 0.11 0.00 0.15 0.00 0.07 0.00 0.00 59.36 59.69 2pni h GLU 61 Cb 0.83 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.98 2pni h GLU 61 CO 0.78 0.00 0.43 1.15 0.07 0.00 0.00 179.01 181.44 2pni h THR 62 N 0.00 0.72 -0.01 -1.06 2.02 -1.91 -1.99 112.91 110.68 2pni h THR 62 Ca 0.14 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 67.11 2pni h THR 62 Cb 0.69 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.17 2pni h THR 62 CO -0.00 0.11 -0.19 1.07 0.37 0.00 0.00 175.52 176.88 2pni n THR 63 N -4.88 0.00 -2.83 3.16 5.66 -0.89 -5.02 114.28 109.48 2pni n THR 63 Ca 0.17 -0.40 -0.05 0.00 -3.05 0.00 0.00 64.05 60.71 2pni n THR 63 Cb 0.43 1.18 0.02 0.00 -1.55 0.00 0.00 70.33 70.42 2pni n THR 63 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2pni n GLY 64 N 0.92 -0.94 3.17 1.09 0.00 -0.01 -5.07 105.19 104.35 2pni n GLY 64 Ca 0.06 0.38 -0.10 0.00 0.00 0.00 0.00 46.02 46.35 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 -3.49 0.87 -0.12 1.61 0.41 -0.82 -4.99 118.70 112.18 2pni s GLU 65 Ca 0.16 -1.38 -0.07 0.00 -0.41 0.00 0.00 54.97 53.27 2pni s GLU 65 Cb -0.02 -0.05 0.05 0.00 -1.78 0.00 0.00 34.13 32.33 2pni s GLU 65 CO 0.61 -0.11 0.30 -0.98 -0.49 0.00 0.00 175.26 174.58 2pni s ARG 66 N -3.91 0.27 0.00 1.61 1.70 -1.26 -1.53 118.95 115.83 2pni s ARG 66 Ca 0.16 0.59 0.00 0.00 -0.47 0.00 0.00 55.73 56.01 2pni s ARG 66 Cb 0.06 -0.06 0.00 0.00 -0.57 0.00 0.00 34.95 34.38 2pni s ARG 66 CO -0.03 -0.15 0.00 0.41 -1.08 0.00 0.00 175.30 174.46 2pni n GLY 67 N 4.10 -0.80 3.86 3.88 0.00 -1.01 -4.83 105.19 110.40 2pni n GLY 67 Ca -0.23 -1.02 -0.28 0.00 0.00 0.00 0.00 46.02 44.48 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 5.93 0.02 1.61 1.01 -1.23 -2.36 116.67 117.64 2pni s ASP 68 Ca 0.00 0.07 -0.12 0.00 0.71 0.00 0.00 52.55 53.21 2pni s ASP 68 Cb 0.00 -1.69 0.01 0.00 1.01 0.00 0.00 42.92 42.25 2pni s ASP 68 CO 0.00 0.12 0.25 0.72 0.21 0.00 0.00 175.17 176.46 2pni s PHE 69 N -1.59 -0.06 0.61 4.23 -0.71 -1.01 -3.74 117.98 115.70 2pni s PHE 69 Ca 0.32 -0.01 -0.18 0.00 -1.04 0.00 0.00 56.93 56.02 2pni s PHE 69 Cb -0.12 0.04 -0.03 0.00 -1.21 0.00 0.00 43.02 41.70 2pni s PHE 69 CO 0.25 -0.41 1.18 -1.25 -1.34 0.00 0.00 175.22 173.65 2pni s PRO 70 N -1.92 2.94 -0.09 1.99 0.04 -1.26 -2.47 135.00 134.23 2pni s PRO 70 Ca -0.10 1.71 0.05 0.00 0.04 0.00 0.00 61.00 62.70 2pni s PRO 70 Cb -0.04 -1.94 0.30 0.00 0.04 0.00 0.00 34.50 32.87 2pni s PRO 70 CO 0.00 -1.20 0.97 0.41 0.04 0.00 0.00 177.00 177.22 2pni n GLY 71 N 0.27 2.01 0.06 0.56 0.00 -0.79 -3.92 105.19 103.38 2pni n GLY 71 Ca 0.13 -0.34 -0.07 0.00 0.00 0.00 0.00 46.02 45.73 2pni n GLY 71 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2pni n THR 72 N 0.23 0.73 0.90 2.61 -2.24 -1.26 -3.61 114.28 111.64 2pni n THR 72 Ca 0.10 -0.36 0.07 0.00 -2.27 0.00 0.00 64.05 61.60 2pni n THR 72 Cb 0.60 -0.85 0.23 0.00 -2.10 0.00 0.00 70.33 68.20 2pni n THR 72 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2pni n TYR 73 N -2.64 0.43 -4.63 4.78 4.01 -1.25 -4.89 117.16 112.95 2pni n TYR 73 Ca -0.20 -0.21 -0.30 0.00 -0.16 0.00 0.00 57.90 57.03 2pni n TYR 73 Cb 0.79 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.75 2pni n TYR 73 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 2pni s VAL 74 N -1.57 0.75 -0.25 -0.72 -7.23 -1.26 -1.23 120.40 108.88 2pni s VAL 74 Ca 0.28 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.43 2pni s VAL 74 Cb 0.15 -2.19 0.13 0.00 0.56 0.00 0.00 36.38 35.03 2pni s VAL 74 CO 0.20 0.00 0.35 -0.70 -0.31 0.00 0.00 175.10 174.64 2pni s GLU 75 N -3.76 0.34 -0.11 4.82 2.56 0.62 -4.68 118.70 118.48 2pni s GLU 75 Ca 0.13 0.30 -0.40 0.00 0.00 0.00 0.00 54.97 55.01 2pni s GLU 75 Cb 0.01 -0.56 -0.18 0.00 2.00 0.00 0.00 34.13 35.40 2pni s GLU 75 CO 0.09 -0.78 1.40 0.98 -0.56 0.00 0.00 175.26 176.39 2pni n TYR 76 N 5.35 1.44 0.01 5.30 9.36 -1.26 -0.74 117.16 136.62 2pni n TYR 76 Ca -0.03 0.81 -0.02 0.00 3.32 0.00 0.00 57.90 61.99 2pni n TYR 76 Cb 0.49 -2.28 -0.01 0.00 -0.63 0.00 0.00 39.34 36.92 2pni n TYR 76 CO 0.00 0.00 0.00 0.44 0.22 0.00 0.00 176.86 177.52 2pni n ILE 77 N 2.95 1.01 -4.11 2.97 -5.35 -1.07 -4.89 119.36 110.89 2pni n ILE 77 Ca 0.23 0.29 -0.08 0.00 -0.27 0.00 0.00 62.75 62.92 2pni n ILE 77 Cb 0.11 -1.63 -0.10 0.00 -1.74 0.00 0.00 39.64 36.28 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 -3.95 0.62 -0.30 3.28 0.00 -1.24 -5.03 107.32 100.70 2pni s GLY 78 Ca -0.05 -1.29 0.01 0.00 0.00 0.00 0.00 44.72 43.39 2pni s GLY 78 CO 0.08 -1.33 0.62 1.09 0.00 0.00 0.00 173.10 173.56 2pni s ARG 79 N -3.95 0.54 -0.95 2.90 1.70 -1.26 -1.67 118.95 116.26 2pni s ARG 79 Ca 0.12 0.77 -0.24 0.00 -0.47 0.00 0.00 55.73 55.91 2pni s ARG 79 Cb 0.08 0.40 -0.02 0.00 -0.57 0.00 0.00 34.95 34.84 2pni s ARG 79 CO -0.07 -0.78 1.82 0.15 -1.08 0.00 0.00 175.30 175.34 2pni s LYS 80 N 2.85 2.82 -0.44 3.89 1.02 -1.25 -4.90 119.74 123.74 2pni s LYS 80 Ca 0.16 -0.54 -0.31 0.00 0.02 0.00 0.00 55.97 55.30 2pni s LYS 80 Cb -0.12 -5.15 -0.10 0.00 -0.52 0.00 0.00 37.83 31.94 2pni s LYS 80 CO -0.23 -3.11 2.32 0.36 -0.92 0.00 0.00 175.35 173.77 2pni n LYS 81 N 8.84 1.12 -0.29 1.68 2.85 -1.26 -4.78 118.16 126.32 2pni n LYS 81 Ca 0.39 0.22 0.04 0.00 -1.05 0.00 0.00 58.31 57.91 2pni n LYS 81 Cb 0.48 -2.78 0.16 0.00 -0.65 0.00 0.00 35.03 32.24 2pni n LYS 81 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 177.40 177.79 2pni n ILE 82 N 7.57 0.84 -3.77 0.58 -6.64 -1.26 -4.78 119.36 111.90 2pni n ILE 82 Ca 0.41 -0.53 -0.13 0.00 -1.77 0.00 0.00 62.75 60.73 2pni n ILE 82 Cb 0.34 -0.09 -0.08 0.00 -1.44 0.00 0.00 39.64 38.36 2pni n ILE 82 CO 0.00 0.00 0.00 -0.44 -1.77 0.00 0.00 176.55 174.34 2pni s SER 83 N -0.67 -0.16 0.00 7.28 0.01 -1.26 -5.07 113.70 113.82 2pni s SER 83 Ca 0.23 0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.50 2pni s SER 83 Cb 0.15 0.31 0.00 0.00 0.21 0.00 0.00 66.02 66.69 2pni s SER 83 CO 0.11 -0.47 0.46 -0.81 0.41 0.00 0.00 173.24 172.94