#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pni s SER 1 N 0.00 7.24 -1.39 1.61 0.15 -1.26 -4.94 113.70 115.11 2pni s SER 1 Ca 0.00 2.13 -0.07 0.00 0.70 0.00 0.00 55.95 58.71 2pni s SER 1 Cb 0.00 -2.61 0.07 0.00 -1.71 0.00 0.00 66.02 61.78 2pni s SER 1 CO 0.00 -0.23 2.49 1.15 1.20 0.00 0.00 173.24 177.84 2pni n MET 1 N 2.25 4.32 -3.61 5.44 0.00 -1.26 -4.84 117.12 119.42 2pni n MET 1 Ca 0.02 -3.17 -0.12 0.00 0.00 0.00 0.00 57.70 54.44 2pni n MET 1 Cb 0.46 -2.69 -0.07 0.00 0.00 0.00 0.00 33.22 30.92 2pni n MET 1 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 2pni s SER 2 N 0.84 -0.53 0.00 3.17 1.04 -1.26 -5.03 113.70 111.92 2pni s SER 2 Ca 0.57 0.91 0.00 0.00 0.48 0.00 0.00 55.95 57.91 2pni s SER 2 Cb 0.18 0.88 0.00 0.00 0.10 0.00 0.00 66.02 67.18 2pni s SER 2 CO -0.08 -0.26 0.00 0.00 0.98 0.00 0.00 173.24 173.88 2pni n ALA 3 N 1.91 0.00 -1.99 5.32 0.00 -1.26 -5.04 120.51 119.46 2pni n ALA 3 Ca -0.13 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.05 2pni n ALA 3 Cb 0.56 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.94 2pni n ALA 3 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2pni s GLU 4 N 0.00 2.30 0.00 0.00 2.02 -1.26 -4.70 118.70 117.06 2pni s GLU 4 Ca 0.00 -0.86 0.00 0.00 0.02 0.00 0.00 54.97 54.13 2pni s GLU 4 Cb 0.00 -5.16 0.00 0.00 0.10 0.00 0.00 34.13 29.07 2pni s GLU 4 CO 0.00 -4.10 0.00 0.41 0.02 0.00 0.00 175.26 171.59 2pni n GLY 5 N 6.07 5.23 3.94 -1.39 0.00 -1.26 -4.55 105.19 113.22 2pni n GLY 5 Ca 0.44 -1.12 -0.26 0.00 0.00 0.00 0.00 46.02 45.07 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 0.56 3.48 0.12 1.61 2.02 -1.17 -4.19 117.35 119.77 2pni s TYR 6 Ca 0.00 0.20 0.01 0.00 -0.37 0.00 0.00 57.07 56.91 2pni s TYR 6 Cb 0.00 -1.74 -0.04 0.00 -0.40 0.00 0.00 41.96 39.78 2pni s TYR 6 CO 0.00 0.46 -0.02 -0.65 -1.57 0.00 0.00 175.55 173.76 2pni s GLN 7 N -3.30 0.89 0.32 -0.62 -0.21 -0.69 -1.93 119.66 114.13 2pni s GLN 7 Ca 0.36 -1.39 0.03 0.00 0.02 0.00 0.00 55.36 54.38 2pni s GLN 7 Cb -0.11 -0.10 -0.06 0.00 1.00 0.00 0.00 33.01 33.74 2pni s GLN 7 CO 0.29 -0.10 0.07 0.71 -2.12 0.00 0.00 175.29 174.14 2pni s TYR 8 N -3.74 1.86 -0.12 0.91 1.51 -0.79 -2.46 117.35 114.52 2pni s TYR 8 Ca 0.16 -1.04 -0.02 0.00 -1.01 0.00 0.00 57.07 55.17 2pni s TYR 8 Cb 0.06 -1.19 0.04 0.00 -0.11 0.00 0.00 41.96 40.76 2pni s TYR 8 CO -0.02 -0.09 -0.00 0.50 -1.11 0.00 0.00 175.55 174.82 2pni s ARG 9 N -3.91 0.81 -0.25 -0.62 3.52 0.05 -2.31 118.95 116.25 2pni s ARG 9 Ca 0.36 -0.15 -0.32 0.00 -0.13 0.00 0.00 55.73 55.48 2pni s ARG 9 Cb 0.08 -1.48 -0.09 0.00 -1.56 0.00 0.00 34.95 31.90 2pni s ARG 9 CO 0.15 -0.41 2.14 0.00 -0.81 0.00 0.00 175.30 176.37 2pni n ALA 10 N 5.07 1.31 -0.07 6.12 0.00 -0.65 -0.54 120.51 131.75 2pni n ALA 10 Ca -0.09 -0.06 -0.11 0.00 0.00 0.00 0.00 53.44 53.18 2pni n ALA 10 Cb 0.49 -2.68 0.02 0.00 0.00 0.00 0.00 19.45 17.28 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 12.78 0.86 -8.75 0.00 5.85 -1.36 -3.33 115.31 121.35 2pni h LEU 11 Ca -0.37 -0.41 -0.31 0.00 0.84 0.00 0.00 57.88 57.64 2pni h LEU 11 Cb 1.28 -0.24 -0.15 0.00 0.37 0.00 0.00 40.66 41.92 2pni h LEU 11 CO 0.98 1.17 -0.61 -0.31 -0.34 0.00 0.00 178.44 179.33 2pni s TYR 12 N -4.28 1.36 -0.16 1.25 1.51 -1.18 -4.94 117.35 110.91 2pni s TYR 12 Ca -0.10 -1.32 -0.28 0.00 -1.01 0.00 0.00 57.07 54.36 2pni s TYR 12 Cb 0.11 -0.72 -0.01 0.00 -0.11 0.00 0.00 41.96 41.24 2pni s TYR 12 CO 0.86 -0.53 0.97 0.16 -1.11 0.00 0.00 175.55 175.90 2pni s ASP 13 N -3.24 7.12 -0.07 2.29 -4.77 -1.26 -4.48 116.67 112.25 2pni s ASP 13 Ca 0.38 1.38 0.05 0.00 -3.30 0.00 0.00 52.55 51.07 2pni s ASP 13 Cb 0.07 -2.52 -0.01 0.00 -1.09 0.00 0.00 42.92 39.37 2pni s ASP 13 CO 0.14 -0.50 -0.23 -0.47 0.70 0.00 0.00 175.17 174.81 2pni s TYR 14 N 2.43 2.52 0.42 2.11 5.04 -0.10 -4.94 117.35 124.83 2pni s TYR 14 Ca 0.44 -0.72 -0.04 0.00 -2.44 0.00 0.00 57.07 54.31 2pni s TYR 14 Cb -0.17 -1.65 -0.04 0.00 0.35 0.00 0.00 41.96 40.46 2pni s TYR 14 CO 0.13 -0.22 0.69 0.21 -1.34 0.00 0.00 175.55 175.03 2pni s LYS 15 N -0.07 3.55 0.11 4.97 2.20 -1.26 -0.65 119.74 128.59 2pni s LYS 15 Ca -0.06 0.05 -0.20 0.00 -0.36 0.00 0.00 55.97 55.40 2pni s LYS 15 Cb -0.14 -2.49 -0.07 0.00 -1.51 0.00 0.00 37.83 33.62 2pni s LYS 15 CO 0.05 -0.05 0.61 -1.59 -0.36 0.00 0.00 175.35 174.01 2pni s LYS 16 N -4.44 4.23 0.00 4.03 -2.85 -1.26 -4.88 119.74 114.57 2pni s LYS 16 Ca 0.45 0.78 0.00 0.00 -1.00 0.00 0.00 55.97 56.20 2pni s LYS 16 Cb -0.10 -3.17 0.00 0.00 -2.06 0.00 0.00 37.83 32.50 2pni s LYS 16 CO 0.40 0.59 0.06 -1.91 0.10 0.00 0.00 175.35 174.59 2pni n GLU 17 N 1.48 5.53 -4.07 1.78 2.13 -1.26 -5.02 120.64 121.21 2pni n GLU 17 Ca -0.08 -0.06 -0.13 0.00 0.66 0.00 0.00 57.16 57.54 2pni n GLU 17 Cb 0.51 -0.53 -0.12 0.00 0.27 0.00 0.00 31.44 31.56 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 -0.81 0.44 0.48 5.31 6.06 -1.26 -5.03 118.95 124.15 2pni s ARG 18 Ca 0.00 -0.54 0.14 0.00 -2.50 0.00 0.00 55.73 52.83 2pni s ARG 18 Cb 0.00 -0.26 1.14 0.00 0.06 0.00 0.00 34.95 35.89 2pni s ARG 18 CO 0.00 0.05 2.11 1.49 -2.50 0.00 0.00 175.30 176.45 2pni h GLU 19 N 5.04 0.13 -0.23 5.12 4.57 -2.02 -1.68 114.58 125.50 2pni h GLU 19 Ca -0.32 -0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 57.82 2pni h GLU 19 Cb 1.20 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.75 2pni h GLU 19 CO 0.44 0.11 0.01 1.49 -1.18 0.00 0.00 179.01 179.88 2pni h GLU 20 N 0.14 0.34 -6.61 1.92 4.81 -1.99 -3.43 114.58 109.76 2pni h GLU 20 Ca 0.04 -0.05 -0.47 0.00 -0.13 0.00 0.00 59.36 58.74 2pni h GLU 20 Cb 0.02 -0.06 0.02 0.00 0.63 0.00 0.00 28.75 29.36 2pni h GLU 20 CO -0.01 0.36 -0.14 0.34 -0.73 0.00 0.00 179.01 178.84 2pni s ASP 21 N -6.83 6.18 0.47 1.04 -1.08 -0.63 -3.57 116.67 112.25 2pni s ASP 21 Ca -0.06 0.46 0.04 0.00 -0.52 0.00 0.00 52.55 52.47 2pni s ASP 21 Cb 0.16 -1.93 -0.03 0.00 -1.46 0.00 0.00 42.92 39.66 2pni s ASP 21 CO 0.73 -0.42 0.11 0.27 0.52 0.00 0.00 175.17 176.38 2pni s ILE 22 N -2.42 1.67 0.33 4.11 -4.36 -1.26 -4.76 121.20 114.51 2pni s ILE 22 Ca 0.43 -1.85 -0.28 0.00 -0.26 0.00 0.00 60.65 58.70 2pni s ILE 22 Cb -0.10 -2.51 -0.09 0.00 1.25 0.00 0.00 42.46 41.01 2pni s ILE 22 CO 0.37 0.00 1.11 -1.81 0.24 0.00 0.00 174.94 174.85 2pni s ASP 23 N -3.92 7.01 -0.03 4.36 1.11 -1.26 -4.29 116.67 119.65 2pni s ASP 23 Ca 0.24 2.25 0.03 0.00 0.18 0.00 0.00 52.55 55.25 2pni s ASP 23 Cb 0.03 -2.62 0.00 0.00 1.07 0.00 0.00 42.92 41.41 2pni s ASP 23 CO 0.13 -0.32 -0.10 -0.76 1.18 0.00 0.00 175.17 175.30 2pni s LEU 24 N -1.89 1.77 0.31 1.23 1.43 0.18 -5.01 118.68 116.70 2pni s LEU 24 Ca 0.50 -0.21 0.05 0.00 -1.03 0.00 0.00 54.13 53.43 2pni s LEU 24 Cb -0.30 -0.61 -0.03 0.00 0.03 0.00 0.00 46.19 45.28 2pni s LEU 24 CO 0.38 0.07 0.21 -1.00 0.23 0.00 0.00 176.35 176.25 2pni s HIS 25 N 0.23 1.62 0.61 0.29 0.09 -1.26 -0.93 115.29 115.95 2pni s HIS 25 Ca -0.04 -1.52 -0.16 0.00 -0.00 0.00 0.00 55.06 53.34 2pni s HIS 25 Cb -0.10 -0.75 -0.03 0.00 -0.00 0.00 0.00 32.58 31.71 2pni s HIS 25 CO 0.01 -0.71 1.08 -0.51 -0.00 0.00 0.00 174.74 174.61 2pni s LEU 26 N -3.35 3.48 0.00 0.89 1.02 -1.26 -3.05 118.68 116.40 2pni s LEU 26 Ca 0.38 1.90 0.00 0.00 0.02 0.00 0.00 54.13 56.43 2pni s LEU 26 Cb 0.04 -4.54 0.00 0.00 0.02 0.00 0.00 46.19 41.71 2pni s LEU 26 CO 0.22 -1.33 0.00 0.61 0.02 0.00 0.00 176.35 175.87 2pni n GLY 27 N -0.76 0.71 3.56 -3.19 0.00 -1.25 -4.92 105.19 99.33 2pni n GLY 27 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.52 4.92 -0.00 1.61 1.11 -1.17 -4.86 116.67 115.75 2pni s ASP 28 Ca 0.00 0.83 -0.19 0.00 0.18 0.00 0.00 52.55 53.36 2pni s ASP 28 Cb 0.00 -2.51 -0.05 0.00 1.07 0.00 0.00 42.92 41.42 2pni s ASP 28 CO 0.00 -2.56 0.55 -0.63 1.18 0.00 0.00 175.17 173.71 2pni s ILE 29 N 10.40 4.93 0.21 0.77 1.01 -1.26 -1.64 121.20 135.63 2pni s ILE 29 Ca 0.84 1.14 0.08 0.00 0.00 0.00 0.00 60.65 62.72 2pni s ILE 29 Cb -0.16 -3.88 -0.04 0.00 0.01 0.00 0.00 42.46 38.39 2pni s ILE 29 CO 0.25 0.45 0.02 -0.76 0.00 0.00 0.00 174.94 174.90 2pni s LEU 30 N -0.38 3.31 0.06 2.97 1.02 -0.98 -3.89 118.68 120.80 2pni s LEU 30 Ca 0.29 -0.47 0.04 0.00 0.02 0.00 0.00 54.13 54.00 2pni s LEU 30 Cb -0.18 -1.91 -0.03 0.00 0.02 0.00 0.00 46.19 44.10 2pni s LEU 30 CO 0.16 0.05 -0.11 -0.89 0.02 0.00 0.00 176.35 175.58 2pni s THR 31 N -1.97 0.83 0.00 5.49 2.01 -0.75 -1.89 115.64 119.35 2pni s THR 31 Ca 0.29 -1.26 0.00 0.00 0.31 0.00 0.00 61.69 61.04 2pni s THR 31 Cb -0.08 -0.91 0.00 0.00 0.01 0.00 0.00 72.50 71.52 2pni s THR 31 CO 0.20 -0.34 0.00 0.52 -0.69 0.00 0.00 174.62 174.30 2pni n VAL 32 N 1.25 0.00 -1.94 3.82 0.31 -0.81 -1.74 118.33 119.21 2pni n VAL 32 Ca -0.21 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.02 2pni n VAL 32 Cb 0.55 0.00 0.06 0.00 -0.91 0.00 0.00 33.84 33.54 2pni n VAL 32 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2pni n ASN 33 N 0.00 0.31 0.00 4.52 3.02 -1.26 -4.43 115.26 117.42 2pni n ASN 33 Ca 0.00 -1.32 0.00 0.00 -0.03 0.00 0.00 54.58 53.23 2pni n ASN 33 Cb 0.00 -0.30 0.00 0.00 -0.61 0.00 0.00 39.78 38.87 2pni n ASN 33 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 2pni n LYS 34 N -1.85 0.00 -0.65 3.52 2.85 -1.26 -3.06 118.16 117.71 2pni n LYS 34 Ca 0.06 0.00 0.03 0.00 -1.05 0.00 0.00 58.31 57.35 2pni n LYS 34 Cb 0.22 -0.60 0.04 0.00 -0.65 0.00 0.00 35.03 34.04 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 2.11 1.66 2.28 2.58 0.00 -1.26 -4.83 105.19 107.73 2pni n GLY 35 Ca 0.00 -0.47 -0.17 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.21 0.26 0.29 1.61 2.88 -1.26 -4.91 113.62 112.29 2pni n SER 36 Ca 0.05 -3.09 0.12 0.00 -1.33 0.00 0.00 58.87 54.62 2pni n SER 36 Cb 0.79 -0.22 0.63 0.00 -0.75 0.00 0.00 64.21 64.66 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 3.10 0.00 -2.45 2.46 3.38 -1.88 -2.19 115.31 117.73 2pni h LEU 37 Ca 0.07 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.06 2pni h LEU 37 Cb 0.98 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.73 2pni h LEU 37 CO 0.44 0.00 0.12 1.62 0.09 0.00 0.00 178.44 180.71 2pni h VAL 38 N 0.00 0.33 -1.66 1.22 3.04 -1.91 -1.67 116.25 115.59 2pni h VAL 38 Ca 0.00 0.00 0.48 0.00 -1.01 0.00 0.00 66.70 66.17 2pni h VAL 38 Cb 0.78 0.90 -0.07 0.00 -2.01 0.00 0.00 31.29 30.89 2pni h VAL 38 CO 0.00 0.00 1.33 0.00 -1.01 0.00 0.00 177.57 177.89 2pni h ALA 39 N 1.84 3.57 0.00 3.17 0.00 -1.78 0.30 119.26 126.36 2pni h ALA 39 Ca 0.03 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2pni h ALA 39 Cb 0.27 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2pni h ALA 39 CO -0.00 -2.18 0.00 1.28 0.00 0.00 0.00 179.25 178.35 2pni n LEU 40 N -3.75 0.17 -0.54 0.00 4.77 -0.65 -4.94 117.00 112.05 2pni n LEU 40 Ca 0.37 -0.43 -0.02 0.00 -0.03 0.00 0.00 56.01 55.90 2pni n LEU 40 Cb 1.83 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.92 2pni n LEU 40 CO 0.38 0.04 0.01 0.61 -1.33 0.00 0.00 177.39 177.10 2pni n GLY 41 N 0.53 0.65 3.94 -0.72 0.00 0.09 -5.05 105.19 104.64 2pni n GLY 41 Ca 0.00 -0.68 -0.23 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.69 1.83 0.01 1.61 0.40 -1.06 -4.96 117.98 113.11 2pni s PHE 42 Ca 0.03 -0.72 0.03 0.00 -0.60 0.00 0.00 56.93 55.68 2pni s PHE 42 Cb -0.01 -2.08 -0.01 0.00 0.51 0.00 0.00 43.02 41.43 2pni s PHE 42 CO 0.04 -0.61 -0.10 0.45 0.70 0.00 0.00 175.22 175.69 2pni s SER 43 N -4.37 1.19 -0.09 1.36 0.15 -1.26 -4.41 113.70 106.26 2pni s SER 43 Ca 0.46 -0.26 -0.32 0.00 0.70 0.00 0.00 55.95 56.53 2pni s SER 43 Cb -0.04 -0.11 -0.10 0.00 -1.71 0.00 0.00 66.02 64.07 2pni s SER 43 CO 0.29 0.07 1.99 -0.90 1.20 0.00 0.00 173.24 175.89 2pni n ASP 44 N 2.54 3.55 0.00 5.45 5.68 -1.26 -4.35 116.55 128.16 2pni n ASP 44 Ca -0.15 0.79 0.00 0.00 -0.50 0.00 0.00 54.79 54.93 2pni n ASP 44 Cb 0.56 -1.44 0.00 0.00 -1.14 0.00 0.00 41.12 39.10 2pni n ASP 44 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2pni n GLY 45 N 4.83 -0.01 2.47 6.12 0.00 -1.26 -5.04 105.19 112.30 2pni n GLY 45 Ca 0.24 -0.02 -0.16 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.21 0.77 -2.43 1.61 6.02 -1.26 -4.98 117.38 115.90 2pni n GLN 46 Ca 0.00 -2.48 -0.40 0.00 -0.01 0.00 0.00 57.00 54.11 2pni n GLN 46 Cb 0.00 -1.34 0.02 0.00 1.02 0.00 0.00 30.24 29.94 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 1.42 4.61 0.00 -1.09 1.02 -1.26 -4.23 120.64 121.11 2pni n GLU 47 Ca 0.15 -4.34 0.00 0.00 -0.02 0.00 0.00 57.16 52.95 2pni n GLU 47 Cb 0.59 -2.41 0.00 0.00 -0.02 0.00 0.00 31.44 29.60 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 -0.21 0.00 -3.73 0.62 0.00 -1.26 -4.79 120.51 111.14 2pni n ALA 48 Ca 0.49 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.65 2pni n ALA 48 Cb 0.26 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.60 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 0.00 1.75 0.30 0.00 4.01 -1.26 -4.81 118.16 118.14 2pni n LYS 49 Ca 0.00 -4.34 0.15 0.00 -0.51 0.00 0.00 58.31 53.61 2pni n LYS 49 Cb 0.20 -2.18 0.78 0.00 -0.51 0.00 0.00 35.03 33.33 2pni n LYS 49 CO 0.00 0.00 0.00 -1.35 -1.11 0.00 0.00 177.40 174.94 2pni h PRO 50 N 5.13 0.00 -0.82 1.97 0.11 -1.89 -2.66 132.00 133.83 2pni h PRO 50 Ca 0.17 0.00 0.11 0.00 0.11 0.00 0.00 66.00 66.40 2pni h PRO 50 Cb 0.76 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 31.79 2pni h PRO 50 CO 0.69 0.00 0.45 0.93 -0.21 0.00 0.00 178.00 179.86 2pni h GLU 51 N 0.00 0.69 0.00 1.05 5.08 -1.92 -2.52 114.58 116.96 2pni h GLU 51 Ca 0.00 -0.04 -0.28 0.00 -1.00 0.00 0.00 59.36 58.04 2pni h GLU 51 Cb 0.52 -0.15 -0.05 0.00 0.50 0.00 0.00 28.75 29.57 2pni h GLU 51 CO 0.00 0.45 -1.65 1.05 -1.00 0.00 0.00 179.01 177.86 2pni h GLU 52 N 0.71 0.00 -6.71 2.33 4.11 -1.81 -3.47 114.58 109.74 2pni h GLU 52 Ca 0.42 0.00 -0.52 0.00 0.07 0.00 0.00 59.36 59.33 2pni h GLU 52 Cb 0.48 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.74 2pni h GLU 52 CO -0.29 0.49 0.52 0.42 0.07 0.00 0.00 179.01 180.22 2pni s ILE 53 N -2.63 3.58 0.00 -1.06 1.01 -0.95 -4.99 121.20 116.16 2pni s ILE 53 Ca -0.04 1.41 0.00 0.00 0.00 0.00 0.00 60.65 62.02 2pni s ILE 53 Cb 0.08 -3.90 0.00 0.00 0.01 0.00 0.00 42.46 38.65 2pni s ILE 53 CO 0.82 0.26 0.00 0.61 0.00 0.00 0.00 174.94 176.64 2pni n GLY 54 N 1.84 0.79 3.68 6.18 0.00 -1.26 -4.33 105.19 112.09 2pni n GLY 54 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 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 0.00 3.31 -0.06 1.61 0.52 -1.26 -1.02 118.94 122.04 2pni s TRP 55 Ca 0.00 0.17 0.03 0.00 0.02 0.00 0.00 56.10 56.32 2pni s TRP 55 Cb 0.00 -2.07 -0.02 0.00 -1.15 0.00 0.00 33.47 30.23 2pni s TRP 55 CO 0.00 0.25 -0.15 -0.51 0.02 0.00 0.00 176.95 176.56 2pni s LEU 56 N 0.19 2.69 -0.20 2.99 1.02 -0.71 -4.95 118.68 119.71 2pni s LEU 56 Ca 0.06 -0.23 -0.05 0.00 0.02 0.00 0.00 54.13 53.92 2pni s LEU 56 Cb -0.12 -1.55 -0.02 0.00 0.02 0.00 0.00 46.19 44.52 2pni s LEU 56 CO -0.00 0.31 0.01 0.20 0.02 0.00 0.00 176.35 176.89 2pni s ASN 57 N -0.54 4.86 0.33 2.29 0.02 -1.26 -1.40 114.94 119.24 2pni s ASN 57 Ca 0.08 -0.20 -0.07 0.00 -1.02 0.00 0.00 52.86 51.65 2pni s ASN 57 Cb -0.11 -1.83 0.01 0.00 0.02 0.00 0.00 41.25 39.33 2pni s ASN 57 CO 0.01 0.06 0.54 -0.83 0.02 0.00 0.00 177.10 176.90 2pni s GLY 58 N 1.04 1.08 -0.14 0.66 0.00 -0.88 -4.81 107.32 104.28 2pni s GLY 58 Ca 0.02 -1.24 -0.02 0.00 0.00 0.00 0.00 44.72 43.48 2pni s GLY 58 CO 0.02 -0.79 -0.07 -0.47 0.00 0.00 0.00 173.10 171.79 2pni s TYR 59 N -3.09 2.96 -0.47 1.90 5.04 -0.71 -2.24 117.35 120.73 2pni s TYR 59 Ca 0.26 -0.34 -0.12 0.00 -2.44 0.00 0.00 57.07 54.42 2pni s TYR 59 Cb -0.01 -1.90 0.10 0.00 0.35 0.00 0.00 41.96 40.50 2pni s TYR 59 CO 0.16 -0.03 0.37 1.21 -1.34 0.00 0.00 175.55 175.92 2pni s ASN 60 N 0.21 5.91 0.36 4.32 3.84 0.46 -1.82 114.94 128.22 2pni s ASN 60 Ca -0.04 -1.61 0.05 0.00 0.21 0.00 0.00 52.86 51.47 2pni s ASN 60 Cb -0.14 -2.10 0.71 0.00 -0.55 0.00 0.00 41.25 39.18 2pni s ASN 60 CO 0.03 -0.67 1.97 -0.33 -2.79 0.00 0.00 177.10 175.31 2pni h GLU 61 N 8.62 0.76 -0.29 0.43 5.08 -1.79 -0.78 114.58 126.61 2pni h GLU 61 Ca -0.26 -0.05 0.08 0.00 -1.00 0.00 0.00 59.36 58.14 2pni h GLU 61 Cb 1.09 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.16 2pni h GLU 61 CO 0.88 0.50 0.23 1.15 -1.00 0.00 0.00 179.01 180.77 2pni h THR 62 N 0.78 0.71 -0.00 1.13 2.02 -1.93 -1.73 112.91 113.89 2pni h THR 62 Ca 0.30 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.48 2pni h THR 62 Cb 0.18 0.83 0.00 0.00 -1.74 0.00 0.00 68.15 67.42 2pni h THR 62 CO -0.09 0.00 -0.05 0.35 0.37 0.00 0.00 175.52 176.10 2pni n THR 63 N -4.22 0.00 -1.51 3.16 -2.24 -1.00 -4.97 114.28 103.50 2pni n THR 63 Ca 0.04 -0.48 -0.18 0.00 -2.27 0.00 0.00 64.05 61.17 2pni n THR 63 Cb 0.39 1.05 -0.08 0.00 -2.10 0.00 0.00 70.33 69.60 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 0.47 1.68 3.60 3.38 0.00 -0.36 -4.94 105.19 109.01 2pni n GLY 64 Ca 0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.78 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 1.97 0.01 1.61 0.41 -0.82 -4.97 118.70 113.41 2pni s GLU 65 Ca 0.00 -1.87 -0.03 0.00 -0.41 0.00 0.00 54.97 52.65 2pni s GLU 65 Cb 0.00 -1.81 -0.01 0.00 -1.78 0.00 0.00 34.13 30.53 2pni s GLU 65 CO 0.00 0.10 0.05 -0.98 -0.49 0.00 0.00 175.26 173.94 2pni s ARG 66 N -3.68 0.38 0.00 1.61 1.70 -1.26 -0.40 118.95 117.30 2pni s ARG 66 Ca 0.34 -0.50 0.00 0.00 -0.47 0.00 0.00 55.73 55.10 2pni s ARG 66 Cb 0.02 0.15 0.00 0.00 -0.57 0.00 0.00 34.95 34.55 2pni s ARG 66 CO 0.18 -0.08 0.00 0.41 -1.08 0.00 0.00 175.30 174.73 2pni n GLY 67 N 1.56 -0.92 3.54 3.88 0.00 -0.95 -4.86 105.19 107.43 2pni n GLY 67 Ca -0.23 -0.12 -0.27 0.00 0.00 0.00 0.00 46.02 45.40 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 4.09 -0.16 1.61 1.01 -1.23 -2.07 116.67 115.92 2pni s ASP 68 Ca 0.00 -0.61 -0.23 0.00 0.71 0.00 0.00 52.55 52.42 2pni s ASP 68 Cb 0.00 -0.64 0.06 0.00 1.01 0.00 0.00 42.92 43.35 2pni s ASP 68 CO 0.00 0.12 0.60 0.72 0.21 0.00 0.00 175.17 176.82 2pni s PHE 69 N -1.61 -0.62 0.82 4.23 -0.71 -0.49 -4.03 117.98 115.57 2pni s PHE 69 Ca 0.23 1.37 -0.12 0.00 -1.04 0.00 0.00 56.93 57.37 2pni s PHE 69 Cb -0.09 0.26 0.09 0.00 -1.21 0.00 0.00 43.02 42.07 2pni s PHE 69 CO 0.14 -0.40 1.16 -1.25 -1.34 0.00 0.00 175.22 173.52 2pni s PRO 70 N -0.23 1.67 -0.66 1.99 0.05 -1.26 -1.74 135.00 134.82 2pni s PRO 70 Ca -0.04 1.55 -0.02 0.00 0.05 0.00 0.00 61.00 62.54 2pni s PRO 70 Cb -0.03 -1.80 0.36 0.00 0.05 0.00 0.00 34.50 33.08 2pni s PRO 70 CO 0.04 -2.15 2.09 0.41 0.05 0.00 0.00 177.00 177.44 2pni n GLY 71 N -0.01 5.43 0.00 0.56 0.00 -0.19 -4.20 105.19 106.79 2pni n GLY 71 Ca 0.12 -2.17 0.00 0.00 0.00 0.00 0.00 46.02 43.97 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 -0.51 0.00 1.12 2.61 5.66 -1.26 -4.06 114.28 117.84 2pni n THR 72 Ca 0.55 0.00 0.12 0.00 -3.05 0.00 0.00 64.05 61.67 2pni n THR 72 Cb 0.52 -0.14 0.35 0.00 -1.55 0.00 0.00 70.33 69.51 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 -0.77 0.16 -4.47 1.09 4.01 -1.26 -4.91 117.16 111.01 2pni n TYR 73 Ca 0.00 -0.08 -0.21 0.00 -0.16 0.00 0.00 57.90 57.45 2pni n TYR 73 Cb 0.10 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.08 2pni n TYR 73 CO 0.00 0.00 0.00 1.33 -0.46 0.00 0.00 176.86 177.73 2pni n VAL 74 N 0.65 0.00 -3.52 -0.72 0.24 -1.26 -1.09 118.33 112.62 2pni n VAL 74 Ca 0.17 -1.61 -0.10 0.00 -2.04 0.00 0.00 64.34 60.76 2pni n VAL 74 Cb 0.43 0.38 -0.10 0.00 -1.47 0.00 0.00 33.84 33.08 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 -3.19 0.29 -0.19 7.34 2.12 0.30 -4.61 118.70 120.76 2pni s GLU 75 Ca 0.03 0.71 -0.39 0.00 0.36 0.00 0.00 54.97 55.68 2pni s GLU 75 Cb 0.00 -0.19 -0.16 0.00 0.26 0.00 0.00 34.13 34.05 2pni s GLU 75 CO 0.02 -0.45 1.67 0.98 -0.54 0.00 0.00 175.26 176.94 2pni n TYR 76 N 5.37 1.95 -0.12 5.30 4.19 -1.26 -0.77 117.16 131.82 2pni n TYR 76 Ca -0.06 0.53 -0.24 0.00 3.31 0.00 0.00 57.90 61.45 2pni n TYR 76 Cb 0.50 -2.44 -0.10 0.00 0.49 0.00 0.00 39.34 37.79 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 4.17 1.52 -3.49 2.97 -5.35 -1.03 -4.88 119.36 113.28 2pni n ILE 77 Ca 0.25 -0.17 -0.09 0.00 -0.27 0.00 0.00 62.75 62.47 2pni n ILE 77 Cb 0.15 -2.01 -0.02 0.00 -1.74 0.00 0.00 39.64 36.02 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 -5.12 -0.49 -0.09 3.28 0.00 -1.24 -5.06 107.32 98.61 2pni s GLY 78 Ca -0.33 0.95 0.01 0.00 0.00 0.00 0.00 44.72 45.36 2pni s GLY 78 CO 0.52 0.32 -0.09 1.09 0.00 0.00 0.00 173.10 174.94 2pni s ARG 79 N -3.18 1.55 0.40 2.90 3.03 -1.26 -1.70 118.95 120.69 2pni s ARG 79 Ca 0.04 -0.31 -0.27 0.00 2.03 0.00 0.00 55.73 57.23 2pni s ARG 79 Cb -0.01 -1.47 -0.10 0.00 -1.03 0.00 0.00 34.95 32.34 2pni s ARG 79 CO -0.09 -0.14 1.34 0.36 -1.13 0.00 0.00 175.30 175.64 2pni n LYS 80 N 4.44 2.17 -1.45 3.89 2.85 -1.26 -4.84 118.16 123.96 2pni n LYS 80 Ca -0.17 0.77 -0.50 0.00 -1.05 0.00 0.00 58.31 57.36 2pni n LYS 80 Cb 0.51 -2.46 -0.07 0.00 -0.65 0.00 0.00 35.03 32.35 2pni n LYS 80 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71 2pni n LYS 81 N 0.21 1.03 0.00 -1.58 -0.00 -1.26 -4.78 118.16 111.77 2pni n LYS 81 Ca 0.05 0.26 0.13 0.00 -0.00 0.00 0.00 58.31 58.75 2pni n LYS 81 Cb 0.39 -2.46 0.39 0.00 -0.00 0.00 0.00 35.03 33.34 2pni n LYS 81 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.40 178.91 2pni n ILE 82 N 7.25 0.00 -2.97 0.58 0.00 -1.26 -4.93 119.36 118.03 2pni n ILE 82 Ca 0.42 -0.07 -0.28 0.00 0.00 0.00 0.00 62.75 62.83 2pni n ILE 82 Cb 0.23 0.22 -0.02 0.00 0.00 0.00 0.00 39.64 40.07 2pni n ILE 82 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 2pni s SER 83 N -2.69 6.37 0.00 9.51 1.04 -1.26 -5.06 113.70 121.61 2pni s SER 83 Ca 0.20 0.85 0.00 0.00 0.48 0.00 0.00 55.95 57.48 2pni s SER 83 Cb 0.19 -2.21 0.00 0.00 0.10 0.00 0.00 66.02 64.10 2pni s SER 83 CO 0.57 -0.40 0.36 -0.81 0.98 0.00 0.00 173.24 173.95