#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 -0.50 0.16 1.61 1.04 -1.26 -5.04 113.70 109.71 2pni s SER 1 Ca 0.00 0.89 0.05 0.00 0.48 0.00 0.00 55.95 57.37 2pni s SER 1 Cb 0.00 0.91 -0.03 0.00 0.10 0.00 0.00 66.02 67.01 2pni s SER 1 CO 0.00 -0.24 1.37 0.24 0.98 0.00 0.00 173.24 175.59 2pni h MET 1 N 4.98 0.11 0.00 4.02 2.86 -2.06 -3.47 114.93 121.37 2pni h MET 1 Ca -0.28 -0.13 0.00 0.00 -2.06 0.00 0.00 59.70 57.23 2pni h MET 1 Cb 1.17 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.87 2pni h MET 1 CO 0.23 0.93 0.00 0.45 1.06 0.00 0.00 176.91 179.58 2pni n SER 2 N -3.58 1.14 -3.17 1.22 2.88 -1.26 -5.16 113.62 105.69 2pni n SER 2 Ca -0.02 -0.91 0.02 0.00 -1.33 0.00 0.00 58.87 56.63 2pni n SER 2 Cb 0.83 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.27 2pni n SER 2 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2pni s ALA 3 N -2.00 -2.13 0.00 -1.46 0.00 -1.26 -5.00 121.76 109.91 2pni s ALA 3 Ca 0.00 1.69 0.00 0.00 0.00 0.00 0.00 51.96 53.65 2pni s ALA 3 Cb 0.00 -2.13 0.00 0.00 0.00 0.00 0.00 23.12 20.99 2pni s ALA 3 CO 0.00 -1.35 0.00 0.39 0.00 0.00 0.00 175.76 174.80 2pni n GLU 4 N 5.42 3.04 0.00 0.00 1.02 -1.26 -5.14 120.64 123.71 2pni n GLU 4 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 2pni n GLU 4 Cb 0.51 -0.37 0.00 0.00 -0.02 0.00 0.00 31.44 31.56 2pni n GLU 4 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2pni n GLY 5 N 0.58 -1.15 3.90 0.62 0.00 -1.26 -4.40 105.19 103.47 2pni n GLY 5 Ca 0.00 -1.73 -0.29 0.00 0.00 0.00 0.00 46.02 44.00 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 3.47 0.17 1.61 2.02 -1.11 -3.83 117.35 119.68 2pni s TYR 6 Ca 0.00 0.67 0.03 0.00 -0.37 0.00 0.00 57.07 57.40 2pni s TYR 6 Cb 0.00 -2.12 -0.05 0.00 -0.40 0.00 0.00 41.96 39.39 2pni s TYR 6 CO 0.00 0.20 -0.04 -0.65 -1.57 0.00 0.00 175.55 173.50 2pni s GLN 7 N -3.38 1.12 -0.06 -0.62 -0.21 -0.97 -2.02 119.66 113.53 2pni s GLN 7 Ca 0.44 -1.52 -0.04 0.00 0.02 0.00 0.00 55.36 54.26 2pni s GLN 7 Cb -0.11 -0.45 0.02 0.00 1.00 0.00 0.00 33.01 33.48 2pni s GLN 7 CO 0.28 -0.05 0.14 0.71 -2.12 0.00 0.00 175.29 174.26 2pni s TYR 8 N -3.50 -0.16 -0.22 0.91 1.51 -0.93 -2.43 117.35 112.52 2pni s TYR 8 Ca 0.22 0.42 -0.09 0.00 -1.01 0.00 0.00 57.07 56.61 2pni s TYR 8 Cb 0.05 0.00 -0.04 0.00 -0.11 0.00 0.00 41.96 41.86 2pni s TYR 8 CO 0.03 -0.11 0.11 1.03 -1.11 0.00 0.00 175.55 175.50 2pni s ARG 9 N 0.52 3.93 0.58 -0.62 0.52 -0.65 -1.60 118.95 121.63 2pni s ARG 9 Ca -0.04 -0.35 -0.18 0.00 -0.52 0.00 0.00 55.73 54.64 2pni s ARG 9 Cb -0.05 -3.39 -0.06 0.00 0.52 0.00 0.00 34.95 31.97 2pni s ARG 9 CO -0.02 0.06 0.78 0.00 0.02 0.00 0.00 175.30 176.13 2pni n ALA 10 N 4.23 -0.38 0.00 2.13 0.00 -0.99 -0.84 120.51 124.65 2pni n ALA 10 Ca -0.16 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2pni n ALA 10 Cb 0.52 -1.99 0.00 0.00 0.00 0.00 0.00 19.45 17.98 2pni n ALA 10 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2pni n LEU 11 N -0.22 0.00 -3.75 0.00 7.94 -0.50 -4.67 117.00 115.80 2pni n LEU 11 Ca 0.13 0.00 -0.13 0.00 -1.11 0.00 0.00 56.01 54.89 2pni n LEU 11 Cb 0.47 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 44.33 2pni n LEU 11 CO 0.50 0.00 0.04 -0.31 -1.11 0.00 0.00 177.39 176.51 2pni s TYR 12 N -1.89 -0.26 -0.01 1.96 2.02 -1.25 -5.04 117.35 112.86 2pni s TYR 12 Ca 0.00 0.52 -0.30 0.00 -0.37 0.00 0.00 57.07 56.92 2pni s TYR 12 Cb 0.00 0.12 -0.09 0.00 -0.40 0.00 0.00 41.96 41.59 2pni s TYR 12 CO 0.00 -0.33 2.01 -3.47 -1.57 0.00 0.00 175.55 172.18 2pni n ASP 13 N 1.78 3.97 -4.26 2.29 2.03 -1.26 -4.71 116.55 116.38 2pni n ASP 13 Ca -0.19 0.81 -0.31 0.00 0.52 0.00 0.00 54.79 55.62 2pni n ASP 13 Cb 0.56 -1.51 -0.16 0.00 -0.72 0.00 0.00 41.12 39.29 2pni n ASP 13 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 2pni s TYR 14 N 5.00 2.35 0.38 -0.67 6.14 -0.76 -5.00 117.35 124.78 2pni s TYR 14 Ca 0.91 -0.66 -0.05 0.00 0.64 0.00 0.00 57.07 57.91 2pni s TYR 14 Cb -0.45 -1.54 -0.05 0.00 0.42 0.00 0.00 41.96 40.34 2pni s TYR 14 CO 0.42 -0.19 0.67 0.15 0.64 0.00 0.00 175.55 177.24 2pni s LYS 15 N -0.21 3.62 0.27 4.97 3.01 -1.26 -1.79 119.74 128.34 2pni s LYS 15 Ca -0.02 0.11 -0.12 0.00 -1.01 0.00 0.00 55.97 54.93 2pni s LYS 15 Cb -0.13 -2.51 -0.08 0.00 -1.01 0.00 0.00 37.83 34.10 2pni s LYS 15 CO 0.03 0.03 0.63 -1.59 0.51 0.00 0.00 175.35 174.96 2pni s LYS 16 N -4.07 3.90 0.00 1.68 -2.85 -1.26 -4.87 119.74 112.26 2pni s LYS 16 Ca 0.46 0.46 0.00 0.00 -1.00 0.00 0.00 55.97 55.89 2pni s LYS 16 Cb -0.10 -2.56 0.00 0.00 -2.06 0.00 0.00 37.83 33.11 2pni s LYS 16 CO 0.35 0.25 0.00 -1.91 0.10 0.00 0.00 175.35 174.15 2pni n GLU 17 N -0.21 3.52 -4.32 1.78 2.13 -1.26 -5.06 120.64 117.22 2pni n GLU 17 Ca 0.02 0.00 -0.31 0.00 0.66 0.00 0.00 57.16 57.53 2pni n GLU 17 Cb 0.53 -0.68 -0.10 0.00 0.27 0.00 0.00 31.44 31.46 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 2.40 0.54 5.31 6.06 -1.26 -5.00 118.95 126.20 2pni s ARG 18 Ca 0.00 -0.85 0.32 0.00 -2.50 0.00 0.00 55.73 52.70 2pni s ARG 18 Cb 0.00 -2.44 1.40 0.00 0.06 0.00 0.00 34.95 33.97 2pni s ARG 18 CO 0.00 0.56 2.00 0.93 -2.50 0.00 0.00 175.30 176.29 2pni h GLU 19 N 4.01 0.00 0.00 5.12 4.39 -2.01 -1.50 114.58 124.58 2pni h GLU 19 Ca -0.48 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.22 2pni h GLU 19 Cb 1.17 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.82 2pni h GLU 19 CO 0.54 0.06 -0.19 0.39 -1.16 0.00 0.00 179.01 178.65 2pni n GLU 20 N -3.21 0.13 -4.18 2.33 1.02 -1.26 -4.83 120.64 110.63 2pni n GLU 20 Ca -0.00 0.08 -0.31 0.00 -0.02 0.00 0.00 57.16 56.91 2pni n GLU 20 Cb 0.30 -1.62 -0.08 0.00 -0.02 0.00 0.00 31.44 30.01 2pni n GLU 20 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2pni s ASP 21 N -3.67 5.13 0.30 1.62 1.11 -0.57 -2.03 116.67 118.56 2pni s ASP 21 Ca 0.11 -0.09 0.03 0.00 0.18 0.00 0.00 52.55 52.79 2pni s ASP 21 Cb 0.16 -1.29 0.03 0.00 1.07 0.00 0.00 42.92 42.89 2pni s ASP 21 CO 0.61 0.22 0.28 -0.38 1.18 0.00 0.00 175.17 177.08 2pni n ILE 22 N 0.90 0.00 -3.15 0.77 5.41 -1.26 -4.66 119.36 117.37 2pni n ILE 22 Ca -0.12 -1.15 -0.39 0.00 1.00 0.00 0.00 62.75 62.09 2pni n ILE 22 Cb 0.52 -0.38 -0.05 0.00 -0.71 0.00 0.00 39.64 39.02 2pni n ILE 22 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 2pni s ASP 23 N -2.80 6.84 -0.08 4.38 1.01 -1.26 -4.21 116.67 120.54 2pni s ASP 23 Ca 0.21 1.01 0.02 0.00 0.71 0.00 0.00 52.55 54.51 2pni s ASP 23 Cb -0.02 -2.36 -0.02 0.00 1.01 0.00 0.00 42.92 41.53 2pni s ASP 23 CO 0.13 -0.10 -0.14 -0.76 0.21 0.00 0.00 175.17 174.52 2pni s LEU 24 N 0.88 2.74 0.00 1.23 1.43 -0.74 -5.02 118.68 119.20 2pni s LEU 24 Ca 0.32 -0.24 0.02 0.00 -1.03 0.00 0.00 54.13 53.20 2pni s LEU 24 Cb -0.17 -1.58 -0.01 0.00 0.03 0.00 0.00 46.19 44.47 2pni s LEU 24 CO 0.14 0.27 0.06 1.41 0.23 0.00 0.00 176.35 178.47 2pni n HIS 25 N 2.80 0.06 -2.52 0.29 8.25 -1.26 -1.83 115.22 121.00 2pni n HIS 25 Ca -0.18 -1.08 -0.29 0.00 -0.26 0.00 0.00 57.72 55.91 2pni n HIS 25 Cb 0.52 -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 3.60 0.00 2.41 1.43 -1.26 -3.85 118.68 121.02 2pni s LEU 26 Ca 0.08 1.14 0.00 0.00 -1.03 0.00 0.00 54.13 54.32 2pni s LEU 26 Cb 0.00 -4.09 0.00 0.00 0.03 0.00 0.00 46.19 42.14 2pni s LEU 26 CO 0.06 -0.59 0.00 0.61 0.23 0.00 0.00 176.35 176.66 2pni n GLY 27 N -2.03 0.68 3.77 -3.19 0.00 -1.26 -4.96 105.19 98.20 2pni n GLY 27 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.51 5.95 0.06 1.61 1.11 -1.25 -4.95 116.67 116.70 2pni s ASP 28 Ca 0.00 2.31 0.04 0.00 0.18 0.00 0.00 52.55 55.08 2pni s ASP 28 Cb 0.00 -2.60 -0.03 0.00 1.07 0.00 0.00 42.92 41.36 2pni s ASP 28 CO 0.00 -1.07 -0.12 -0.51 1.18 0.00 0.00 175.17 174.65 2pni s ILE 29 N -1.58 0.91 0.16 0.77 2.07 -1.26 -2.36 121.20 119.91 2pni s ILE 29 Ca 0.67 -1.24 0.10 0.00 -1.41 0.00 0.00 60.65 58.78 2pni s ILE 29 Cb -0.28 -0.92 -0.04 0.00 0.13 0.00 0.00 42.46 41.35 2pni s ILE 29 CO 0.34 -0.29 -0.23 -0.76 -1.91 0.00 0.00 174.94 172.09 2pni s LEU 30 N -1.70 2.39 0.04 8.50 1.02 -0.63 -3.85 118.68 124.45 2pni s LEU 30 Ca -0.05 -0.81 0.03 0.00 0.02 0.00 0.00 54.13 53.32 2pni s LEU 30 Cb -0.10 -1.07 -0.02 0.00 0.02 0.00 0.00 46.19 45.02 2pni s LEU 30 CO 0.02 0.09 -0.09 -0.89 0.02 0.00 0.00 176.35 175.50 2pni s THR 31 N -1.53 0.63 0.00 5.49 2.01 -0.94 -2.19 115.64 119.11 2pni s THR 31 Ca 0.16 -1.07 0.00 0.00 0.31 0.00 0.00 61.69 61.10 2pni s THR 31 Cb -0.08 -0.67 0.00 0.00 0.01 0.00 0.00 72.50 71.75 2pni s THR 31 CO 0.07 -0.32 0.00 0.52 -0.69 0.00 0.00 174.62 174.20 2pni n VAL 32 N 1.53 0.00 -1.91 3.82 0.31 -0.86 -1.84 118.33 119.38 2pni n VAL 32 Ca -0.22 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 63.81 2pni n VAL 32 Cb 0.55 0.00 0.19 0.00 -0.91 0.00 0.00 33.84 33.67 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 2.98 -0.02 4.52 2.47 -1.26 -4.39 114.94 120.24 2pni s ASN 33 Ca 0.00 0.25 0.02 0.00 0.42 0.00 0.00 52.86 53.55 2pni s ASN 33 Cb 0.00 -0.27 0.04 0.00 -1.45 0.00 0.00 41.25 39.57 2pni s ASN 33 CO 0.00 -2.82 0.96 2.29 -3.72 0.00 0.00 177.10 173.81 2pni n LYS 34 N -3.82 2.40 0.00 0.43 2.85 -1.26 -2.74 118.16 116.02 2pni n LYS 34 Ca 0.16 -1.51 0.00 0.00 -1.05 0.00 0.00 58.31 55.90 2pni n LYS 34 Cb 0.59 -1.00 0.00 0.00 -0.65 0.00 0.00 35.03 33.98 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 -0.55 0.00 2.23 2.58 0.00 -1.26 -1.88 105.19 106.31 2pni n GLY 35 Ca 0.02 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.83 2pni n GLY 35 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2pni n SER 36 N 0.00 0.20 0.09 1.61 7.64 -1.26 -4.92 113.62 116.98 2pni n SER 36 Ca 0.00 -2.88 0.05 0.00 1.01 0.00 0.00 58.87 57.05 2pni n SER 36 Cb 0.00 -0.43 0.25 0.00 -1.01 0.00 0.00 64.21 63.01 2pni n SER 36 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2pni n LEU 37 N 0.95 0.24 0.04 -3.43 -0.00 -1.26 -1.35 117.00 112.18 2pni n LEU 37 Ca 0.22 0.54 0.04 0.00 -0.00 0.00 0.00 56.01 56.80 2pni n LEU 37 Cb 0.59 -0.54 0.18 0.00 -0.00 0.00 0.00 43.42 43.65 2pni n LEU 37 CO 0.18 -0.62 0.61 0.52 -0.00 0.00 0.00 177.39 178.09 2pni n VAL 38 N -1.79 1.62 -0.32 1.47 0.31 -1.26 -1.88 118.33 116.47 2pni n VAL 38 Ca -0.01 0.49 0.30 0.00 -0.01 0.00 0.00 64.34 65.12 2pni n VAL 38 Cb 0.14 -1.45 0.65 0.00 -0.91 0.00 0.00 33.84 32.27 2pni n VAL 38 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2pni h ALA 39 N 2.09 2.76 -0.01 3.52 0.00 -1.60 -0.48 119.26 125.54 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 0.05 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2pni h ALA 39 CO 0.00 -1.14 -0.33 1.28 0.00 0.00 0.00 179.25 179.06 2pni n LEU 40 N -4.37 1.08 0.00 0.00 4.32 -0.79 -4.97 117.00 112.27 2pni n LEU 40 Ca 0.26 -0.68 0.00 0.00 -0.02 0.00 0.00 56.01 55.57 2pni n LEU 40 Cb 1.11 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.91 2pni n LEU 40 CO 0.34 0.22 0.00 0.61 -1.22 0.00 0.00 177.39 177.34 2pni n GLY 41 N 1.06 0.47 3.81 -0.72 0.00 -0.19 -5.05 105.19 104.58 2pni n GLY 41 Ca 0.04 -0.89 -0.32 0.00 0.00 0.00 0.00 46.02 44.84 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 3.10 0.00 1.61 0.40 -1.16 -4.97 117.98 114.95 2pni s PHE 42 Ca 0.00 1.48 0.00 0.00 -0.60 0.00 0.00 56.93 57.81 2pni s PHE 42 Cb 0.00 -2.95 0.00 0.00 0.51 0.00 0.00 43.02 40.58 2pni s PHE 42 CO 0.00 -1.01 0.00 0.43 0.70 0.00 0.00 175.22 175.34 2pni n SER 43 N -2.18 0.00 -0.11 1.36 7.64 -1.26 -4.51 113.62 114.56 2pni n SER 43 Ca 0.08 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.93 2pni n SER 43 Cb 0.53 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.70 2pni n SER 43 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2pni n ASP 44 N 0.00 -0.28 -2.81 6.43 8.00 -1.26 -4.90 116.55 121.73 2pni n ASP 44 Ca 0.00 0.89 -0.03 0.00 0.71 0.00 0.00 54.79 56.36 2pni n ASP 44 Cb 0.00 -0.27 0.00 0.00 -0.02 0.00 0.00 41.12 40.83 2pni n ASP 44 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2pni n GLY 45 N -1.07 -3.10 0.10 0.44 0.00 -1.26 -4.78 105.19 95.51 2pni n GLY 45 Ca 0.01 0.69 0.07 0.00 0.00 0.00 0.00 46.02 46.79 2pni n GLY 45 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2pni n GLN 46 N 0.43 0.09 -3.71 1.61 7.27 -1.26 -4.87 117.38 116.95 2pni n GLN 46 Ca 0.03 0.54 -0.30 0.00 0.07 0.00 0.00 57.00 57.34 2pni n GLN 46 Cb 0.18 -1.78 0.03 0.00 2.41 0.00 0.00 30.24 31.08 2pni n GLN 46 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 2pni n GLU 47 N -1.97 -1.10 0.00 3.69 1.02 -1.26 -4.79 120.64 116.23 2pni n GLU 47 Ca -0.00 0.55 0.00 0.00 -0.02 0.00 0.00 57.16 57.69 2pni n GLU 47 Cb 0.06 -3.66 0.00 0.00 -0.02 0.00 0.00 31.44 27.82 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 -3.82 0.00 -3.70 0.62 0.00 -1.26 -5.02 120.51 107.33 2pni n ALA 48 Ca -0.13 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.04 2pni n ALA 48 Cb 0.59 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.93 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 1.32 0.00 0.00 5.02 -1.26 -4.85 118.16 118.39 2pni n LYS 49 Ca 0.00 -4.05 0.00 0.00 -2.02 0.00 0.00 58.31 52.24 2pni n LYS 49 Cb 0.05 -2.06 0.00 0.00 -0.02 0.00 0.00 35.03 33.00 2pni n LYS 49 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 2pni n PRO 50 N 2.16 0.00 -0.03 1.97 -0.02 -1.26 -2.60 135.00 135.22 2pni n PRO 50 Ca 0.24 0.37 -0.14 0.00 -2.02 0.00 0.00 63.50 61.96 2pni n PRO 50 Cb 0.40 -1.52 -0.10 0.00 -0.02 0.00 0.00 33.50 32.26 2pni n PRO 50 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2pni h GLU 51 N 0.00 0.13 0.00 -0.52 4.57 -1.92 -3.32 114.58 113.51 2pni h GLU 51 Ca 0.00 -0.09 -0.09 0.00 -1.18 0.00 0.00 59.36 58.00 2pni h GLU 51 Cb 0.05 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.63 2pni h GLU 51 CO 0.00 0.68 -1.24 -0.85 -1.18 0.00 0.00 179.01 176.42 2pni n GLU 52 N -4.69 0.61 -2.31 1.92 0.28 -1.07 -4.87 120.64 110.52 2pni n GLU 52 Ca -0.08 0.18 -0.39 0.00 -0.16 0.00 0.00 57.16 56.71 2pni n GLU 52 Cb 0.35 -1.81 -0.02 0.00 1.43 0.00 0.00 31.44 31.38 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 -3.12 3.17 0.00 3.84 1.01 -1.13 -5.02 121.20 119.96 2pni s ILE 53 Ca -0.02 1.02 0.00 0.00 0.00 0.00 0.00 60.65 61.65 2pni s ILE 53 Cb 0.09 -3.58 0.00 0.00 0.01 0.00 0.00 42.46 38.98 2pni s ILE 53 CO 0.80 0.12 0.00 0.61 0.00 0.00 0.00 174.94 176.47 2pni n GLY 54 N 0.69 1.02 3.75 6.18 0.00 -1.26 -4.46 105.19 111.11 2pni n GLY 54 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 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 0.45 3.63 0.20 1.61 0.52 -1.26 -2.20 118.94 121.88 2pni s TRP 55 Ca 0.00 1.09 0.07 0.00 0.02 0.00 0.00 56.10 57.28 2pni s TRP 55 Cb 0.00 -2.58 -0.04 0.00 -1.15 0.00 0.00 33.47 29.70 2pni s TRP 55 CO 0.00 0.30 0.06 -0.51 0.02 0.00 0.00 176.95 176.82 2pni s LEU 56 N 0.06 3.48 -0.08 2.99 1.02 -0.58 -4.96 118.68 120.62 2pni s LEU 56 Ca 0.29 -0.36 0.00 0.00 0.02 0.00 0.00 54.13 54.09 2pni s LEU 56 Cb -0.17 -2.08 0.02 0.00 0.02 0.00 0.00 46.19 43.98 2pni s LEU 56 CO 0.15 0.05 -0.07 0.21 0.02 0.00 0.00 176.35 176.70 2pni s ASN 57 N -3.25 1.74 0.35 2.29 3.04 -1.26 -1.48 114.94 116.38 2pni s ASN 57 Ca 0.30 -0.24 -0.08 0.00 0.04 0.00 0.00 52.86 52.88 2pni s ASN 57 Cb -0.09 -0.70 0.03 0.00 -1.54 0.00 0.00 41.25 38.95 2pni s ASN 57 CO 0.21 -0.07 0.61 0.61 -3.04 0.00 0.00 177.10 175.41 2pni n GLY 58 N 4.48 1.59 3.69 1.21 0.00 -0.95 -4.84 105.19 110.36 2pni n GLY 58 Ca -0.17 -1.42 -0.37 0.00 0.00 0.00 0.00 46.02 44.05 2pni n GLY 58 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2pni s TYR 59 N -2.81 3.39 -1.06 1.61 5.04 -0.77 -2.34 117.35 120.41 2pni s TYR 59 Ca 0.21 0.54 -0.16 0.00 -2.44 0.00 0.00 57.07 55.23 2pni s TYR 59 Cb -0.03 -2.43 0.16 0.00 0.35 0.00 0.00 41.96 40.01 2pni s TYR 59 CO 0.16 0.08 1.26 1.21 -1.34 0.00 0.00 175.55 176.91 2pni s ASN 60 N 0.87 6.87 0.48 4.32 3.84 0.07 -2.21 114.94 129.18 2pni s ASN 60 Ca 0.16 -2.57 0.30 0.00 0.21 0.00 0.00 52.86 50.96 2pni s ASN 60 Cb -0.14 -2.39 1.39 0.00 -0.55 0.00 0.00 41.25 39.56 2pni s ASN 60 CO 0.06 -0.87 1.77 -0.33 -2.79 0.00 0.00 177.10 174.94 2pni h GLU 61 N 7.93 0.14 -0.45 0.43 5.08 -1.79 0.11 114.58 126.03 2pni h GLU 61 Ca 0.23 -0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.64 2pni h GLU 61 Cb 0.95 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 30.12 2pni h GLU 61 CO 1.16 0.09 0.16 1.15 -1.00 0.00 0.00 179.01 180.57 2pni h THR 62 N 0.15 0.86 -0.31 1.13 2.02 -1.90 -1.96 112.91 112.89 2pni h THR 62 Ca 0.62 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.68 2pni h THR 62 Cb 2.09 0.50 0.00 0.00 -1.74 0.00 0.00 68.15 69.00 2pni h THR 62 CO -0.15 0.06 0.00 0.35 0.37 0.00 0.00 175.52 176.15 2pni n THR 63 N -5.01 0.54 -3.60 3.16 -2.24 -0.72 -4.99 114.28 101.42 2pni n THR 63 Ca 0.04 -0.77 -0.22 0.00 -2.27 0.00 0.00 64.05 60.83 2pni n THR 63 Cb 0.17 0.90 0.05 0.00 -2.10 0.00 0.00 70.33 69.35 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 1.08 -0.59 3.25 3.38 0.00 0.30 -4.99 105.19 107.62 2pni n GLY 64 Ca 0.15 0.27 -0.15 0.00 0.00 0.00 0.00 46.02 46.29 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 -5.65 1.43 -0.13 1.61 2.02 -0.94 -4.99 118.70 112.05 2pni s GLU 65 Ca 0.18 -1.79 -0.00 0.00 0.02 0.00 0.00 54.97 53.37 2pni s GLU 65 Cb -0.04 0.19 0.03 0.00 0.10 0.00 0.00 34.13 34.40 2pni s GLU 65 CO 0.80 -0.46 -0.07 0.50 0.02 0.00 0.00 175.26 176.05 2pni s ARG 66 N -3.91 1.55 0.04 1.61 3.52 -1.26 -0.76 118.95 119.75 2pni s ARG 66 Ca 0.39 -0.33 -0.01 0.00 -0.13 0.00 0.00 55.73 55.64 2pni s ARG 66 Cb 0.05 -1.72 0.01 0.00 -1.56 0.00 0.00 34.95 31.73 2pni s ARG 66 CO 0.17 -0.30 0.08 0.41 -0.81 0.00 0.00 175.30 174.85 2pni n GLY 67 N 4.92 2.04 3.90 8.12 0.00 -0.99 -4.99 105.19 118.19 2pni n GLY 67 Ca -0.13 -1.09 -0.21 0.00 0.00 0.00 0.00 46.02 44.60 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 -1.22 5.77 -0.25 1.61 1.01 -0.86 -2.25 116.67 120.47 2pni s ASP 68 Ca 0.02 -0.21 -0.25 0.00 0.71 0.00 0.00 52.55 52.82 2pni s ASP 68 Cb -0.00 -1.39 0.07 0.00 1.01 0.00 0.00 42.92 42.60 2pni s ASP 68 CO 0.01 -0.19 0.70 0.72 0.21 0.00 0.00 175.17 176.62 2pni s PHE 69 N -2.14 -0.77 0.61 4.23 -0.71 -0.55 -4.12 117.98 114.53 2pni s PHE 69 Ca 0.37 1.83 -0.17 0.00 -1.04 0.00 0.00 56.93 57.92 2pni s PHE 69 Cb -0.08 0.28 -0.02 0.00 -1.21 0.00 0.00 43.02 41.98 2pni s PHE 69 CO 0.28 -0.39 1.14 -1.25 -1.34 0.00 0.00 175.22 173.65 2pni s PRO 70 N 0.24 2.98 0.00 1.99 0.04 -1.26 -1.52 135.00 137.46 2pni s PRO 70 Ca -0.01 1.56 0.00 0.00 0.04 0.00 0.00 61.00 62.59 2pni s PRO 70 Cb -0.05 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.54 2pni s PRO 70 CO 0.02 -1.14 0.80 0.41 0.04 0.00 0.00 177.00 177.12 2pni n GLY 71 N -0.06 1.78 0.12 0.56 0.00 -0.94 -3.92 105.19 102.74 2pni n GLY 71 Ca 0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.90 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 0.31 1.52 -0.10 2.61 -2.24 -1.26 -4.32 114.28 110.81 2pni n THR 72 Ca 0.00 -0.18 -0.06 0.00 -2.27 0.00 0.00 64.05 61.54 2pni n THR 72 Cb 0.40 -2.02 0.15 0.00 -2.10 0.00 0.00 70.33 66.76 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 -4.35 1.39 -3.90 4.78 4.01 -1.25 -4.84 117.16 113.00 2pni n TYR 73 Ca -0.40 -0.85 -0.09 0.00 -0.16 0.00 0.00 57.90 56.40 2pni n TYR 73 Cb 0.75 -0.49 -0.08 0.00 -0.31 0.00 0.00 39.34 39.21 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 -1.82 0.15 -0.15 -0.72 -7.23 -1.26 -1.42 120.40 107.96 2pni s VAL 74 Ca 0.29 -1.23 -0.04 0.00 -1.81 0.00 0.00 61.98 59.20 2pni s VAL 74 Cb 0.24 -1.26 0.05 0.00 0.56 0.00 0.00 36.38 35.97 2pni s VAL 74 CO 0.07 -0.68 0.06 -0.70 -0.31 0.00 0.00 175.10 173.54 2pni s GLU 75 N -3.55 0.26 -0.35 4.82 2.12 -0.02 -4.87 118.70 117.11 2pni s GLU 75 Ca 0.03 -0.09 -0.40 0.00 0.36 0.00 0.00 54.97 54.87 2pni s GLU 75 Cb 0.04 -1.63 -0.16 0.00 0.26 0.00 0.00 34.13 32.64 2pni s GLU 75 CO -0.09 -0.58 1.88 0.98 -0.54 0.00 0.00 175.26 176.92 2pni n TYR 76 N 5.21 1.81 -0.09 5.30 9.36 -1.26 -1.64 117.16 135.85 2pni n TYR 76 Ca -0.07 0.57 -0.11 0.00 3.32 0.00 0.00 57.90 61.61 2pni n TYR 76 Cb 0.49 -2.43 -0.05 0.00 -0.63 0.00 0.00 39.34 36.72 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 5.37 1.46 -3.83 2.97 -5.35 -1.02 -4.92 119.36 114.05 2pni n ILE 77 Ca 0.34 0.11 -0.07 0.00 -0.27 0.00 0.00 62.75 62.87 2pni n ILE 77 Cb 0.11 -2.27 0.01 0.00 -1.74 0.00 0.00 39.64 35.74 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 -4.54 0.14 -0.15 3.28 0.00 -1.25 -5.06 107.32 99.74 2pni s GLY 78 Ca -0.21 -0.46 -0.12 0.00 0.00 0.00 0.00 44.72 43.92 2pni s GLY 78 CO 0.35 0.32 0.39 1.09 0.00 0.00 0.00 173.10 175.26 2pni s ARG 79 N -2.74 0.43 -0.46 2.90 3.03 -1.26 -2.29 118.95 118.55 2pni s ARG 79 Ca 0.15 0.62 0.07 0.00 2.03 0.00 0.00 55.73 58.60 2pni s ARG 79 Cb -0.04 0.13 0.40 0.00 -1.03 0.00 0.00 34.95 34.41 2pni s ARG 79 CO 0.08 -0.09 1.03 0.36 -1.13 0.00 0.00 175.30 175.55 2pni n LYS 80 N 3.35 3.00 -1.67 3.89 2.85 -1.25 -5.01 118.16 123.32 2pni n LYS 80 Ca -0.17 -4.40 -0.54 0.00 -1.05 0.00 0.00 58.31 52.15 2pni n LYS 80 Cb 0.56 -2.11 -0.06 0.00 -0.65 0.00 0.00 35.03 32.77 2pni n LYS 80 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 2pni n LYS 81 N -0.34 1.32 -3.93 -1.58 4.81 -1.26 -4.63 118.16 112.55 2pni n LYS 81 Ca 0.33 0.48 -0.10 0.00 -0.87 0.00 0.00 58.31 58.15 2pni n LYS 81 Cb 0.61 -2.17 -0.11 0.00 0.02 0.00 0.00 35.03 33.37 2pni n LYS 81 CO 0.00 0.00 0.00 -1.50 1.17 0.00 0.00 177.40 177.07 2pni s ILE 82 N 2.42 0.08 0.48 3.15 1.10 -0.79 -5.02 121.20 122.62 2pni s ILE 82 Ca 0.92 -0.64 -0.03 0.00 -0.51 0.00 0.00 60.65 60.39 2pni s ILE 82 Cb -0.97 -0.25 -0.01 0.00 0.15 0.00 0.00 42.46 41.37 2pni s ILE 82 CO 0.56 -0.35 0.75 -0.94 -2.11 0.00 0.00 174.94 172.84 2pni s SER 83 N -1.09 5.97 0.00 4.50 1.04 -1.26 -4.44 113.70 118.42 2pni s SER 83 Ca -0.12 0.61 0.00 0.00 0.48 0.00 0.00 55.95 56.92 2pni s SER 83 Cb -0.07 -1.86 0.00 0.00 0.10 0.00 0.00 66.02 64.18 2pni s SER 83 CO -0.00 -0.70 0.41 -0.81 0.98 0.00 0.00 173.24 173.12