#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 -0.40 0.31 1.61 1.04 -1.26 -5.03 113.70 109.97 2pni s SER 1 Ca 0.00 0.63 0.03 0.00 0.48 0.00 0.00 55.95 57.09 2pni s SER 1 Cb 0.00 1.20 0.60 0.00 0.10 0.00 0.00 66.02 67.92 2pni s SER 1 CO 0.00 -0.10 1.89 0.24 0.98 0.00 0.00 173.24 176.26 2pni h MET 1 N 5.97 0.91 0.00 4.02 0.00 -2.09 -3.43 114.93 120.31 2pni h MET 1 Ca -0.26 -0.05 -0.02 0.00 0.00 0.00 0.00 59.70 59.36 2pni h MET 1 Cb 1.18 -0.21 0.01 0.00 0.00 0.00 0.00 31.60 32.58 2pni h MET 1 CO 0.20 0.60 0.01 0.45 0.00 0.00 0.00 176.91 178.17 2pni n SER 2 N -4.52 0.02 -4.00 1.22 2.88 -1.26 -5.13 113.62 102.83 2pni n SER 2 Ca 0.15 -1.03 -0.10 0.00 -1.33 0.00 0.00 58.87 56.57 2pni n SER 2 Cb 0.28 -0.04 -0.11 0.00 -0.75 0.00 0.00 64.21 63.59 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 -3.56 0.22 -0.35 -1.46 0.00 -1.26 -5.12 121.76 110.24 2pni s ALA 3 Ca 0.03 -0.66 0.01 0.00 0.00 0.00 0.00 51.96 51.34 2pni s ALA 3 Cb -0.00 0.14 0.14 0.00 0.00 0.00 0.00 23.12 23.40 2pni s ALA 3 CO 0.02 -0.15 0.26 -1.21 0.00 0.00 0.00 175.76 174.68 2pni s GLU 4 N -1.64 0.52 0.35 0.00 2.02 -1.26 -5.01 118.70 113.69 2pni s GLU 4 Ca -0.14 -1.01 0.09 0.00 0.02 0.00 0.00 54.97 53.94 2pni s GLU 4 Cb -0.09 -1.05 -0.07 0.00 0.10 0.00 0.00 34.13 33.03 2pni s GLU 4 CO -0.01 -1.17 -0.09 0.20 0.02 0.00 0.00 175.26 174.20 2pni s GLY 5 N 1.39 2.21 0.07 -1.39 0.00 -1.25 -4.32 107.32 104.03 2pni s GLY 5 Ca 0.16 -2.10 0.04 0.00 0.00 0.00 0.00 44.72 42.82 2pni s GLY 5 CO -0.07 -2.04 -0.11 -0.19 0.00 0.00 0.00 173.10 170.70 2pni s TYR 6 N -2.62 1.02 0.29 1.90 2.02 -1.22 0.10 117.35 118.85 2pni s TYR 6 Ca 0.33 -0.54 0.04 0.00 -0.37 0.00 0.00 57.07 56.52 2pni s TYR 6 Cb 0.03 -0.57 -0.06 0.00 -0.40 0.00 0.00 41.96 40.96 2pni s TYR 6 CO 0.17 0.00 0.04 -0.65 -1.57 0.00 0.00 175.55 173.53 2pni s GLN 7 N -2.10 1.56 -0.08 -0.62 -0.21 -1.00 -2.40 119.66 114.80 2pni s GLN 7 Ca -0.01 -1.84 -0.03 0.00 0.02 0.00 0.00 55.36 53.50 2pni s GLN 7 Cb -0.07 -0.80 0.04 0.00 1.00 0.00 0.00 33.01 33.18 2pni s GLN 7 CO 0.01 -0.15 0.16 0.71 -2.12 0.00 0.00 175.29 173.90 2pni s TYR 8 N -3.33 -0.18 -0.22 0.91 1.51 -0.68 -2.49 117.35 112.87 2pni s TYR 8 Ca 0.34 0.58 -0.21 0.00 -1.01 0.00 0.00 57.07 56.78 2pni s TYR 8 Cb 0.07 -0.20 -0.02 0.00 -0.11 0.00 0.00 41.96 41.70 2pni s TYR 8 CO 0.14 -0.24 0.63 0.50 -1.11 0.00 0.00 175.55 175.46 2pni s ARG 9 N 1.95 4.17 0.49 -0.62 3.52 -0.33 -1.66 118.95 126.47 2pni s ARG 9 Ca -0.01 0.59 -0.22 0.00 -0.13 0.00 0.00 55.73 55.96 2pni s ARG 9 Cb -0.12 -3.61 -0.09 0.00 -1.56 0.00 0.00 34.95 29.58 2pni s ARG 9 CO -0.06 -0.31 0.92 0.00 -0.81 0.00 0.00 175.30 175.04 2pni n ALA 10 N 5.32 -0.03 -0.02 6.12 0.00 -1.01 -0.64 120.51 130.24 2pni n ALA 10 Ca -0.01 0.13 -0.02 0.00 0.00 0.00 0.00 53.44 53.54 2pni n ALA 10 Cb 0.49 -2.05 -0.04 0.00 0.00 0.00 0.00 19.45 17.85 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 0.17 0.00 -4.15 0.00 7.94 -0.49 -4.53 117.00 115.94 2pni n LEU 11 Ca 0.11 0.00 -0.12 0.00 -1.11 0.00 0.00 56.01 54.89 2pni n LEU 11 Cb 0.43 0.11 -0.10 0.00 0.53 0.00 0.00 43.42 44.38 2pni n LEU 11 CO 0.54 0.11 -0.40 -0.47 -1.11 0.00 0.00 177.39 176.06 2pni s TYR 12 N -2.16 0.88 -0.57 1.96 5.04 -1.18 -4.93 117.35 116.40 2pni s TYR 12 Ca -0.02 -0.76 -0.21 0.00 -2.44 0.00 0.00 57.07 53.63 2pni s TYR 12 Cb 0.02 -0.50 0.06 0.00 0.35 0.00 0.00 41.96 41.88 2pni s TYR 12 CO 0.21 -0.10 0.81 -0.51 -1.34 0.00 0.00 175.55 174.63 2pni s ASP 13 N -2.59 6.24 -0.12 4.32 1.11 -1.26 -4.24 116.67 120.12 2pni s ASP 13 Ca 0.06 -0.83 -0.01 0.00 0.18 0.00 0.00 52.55 51.95 2pni s ASP 13 Cb 0.00 -2.37 -0.03 0.00 1.07 0.00 0.00 42.92 41.60 2pni s ASP 13 CO -0.02 -1.16 -0.07 -0.47 1.18 0.00 0.00 175.17 174.63 2pni s TYR 14 N 3.39 2.95 0.42 4.23 5.04 -0.48 -4.96 117.35 127.93 2pni s TYR 14 Ca 0.21 -0.26 -0.04 0.00 -2.44 0.00 0.00 57.07 54.53 2pni s TYR 14 Cb -0.17 -1.85 -0.04 0.00 0.35 0.00 0.00 41.96 40.24 2pni s TYR 14 CO 0.13 0.05 0.70 0.15 -1.34 0.00 0.00 175.55 175.24 2pni s LYS 15 N -0.03 3.57 0.07 4.97 -0.14 -1.26 -0.91 119.74 126.01 2pni s LYS 15 Ca -0.00 0.08 -0.19 0.00 -1.36 0.00 0.00 55.97 54.50 2pni s LYS 15 Cb -0.13 -2.48 -0.07 0.00 -1.68 0.00 0.00 37.83 33.47 2pni s LYS 15 CO 0.03 -0.05 0.57 -1.59 -0.76 0.00 0.00 175.35 173.55 2pni s LYS 16 N -4.39 4.21 0.00 1.68 0.00 -1.26 -4.87 119.74 115.12 2pni s LYS 16 Ca 0.46 0.74 0.00 0.00 0.00 0.00 0.00 55.97 57.17 2pni s LYS 16 Cb -0.10 -3.25 0.00 0.00 0.00 0.00 0.00 37.83 34.48 2pni s LYS 16 CO 0.39 0.62 0.00 -1.91 0.00 0.00 0.00 175.35 174.46 2pni n GLU 17 N 1.78 3.44 -3.89 1.78 2.13 -1.26 -5.03 120.64 119.58 2pni n GLU 17 Ca -0.10 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.60 2pni n GLU 17 Cb 0.51 -0.46 -0.14 0.00 0.27 0.00 0.00 31.44 31.62 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 -0.75 0.05 0.64 5.31 6.06 -1.26 -5.01 118.95 123.99 2pni s ARG 18 Ca 0.00 -0.06 0.27 0.00 -2.50 0.00 0.00 55.73 53.44 2pni s ARG 18 Cb 0.00 -0.01 1.45 0.00 0.06 0.00 0.00 34.95 36.45 2pni s ARG 18 CO 0.00 0.00 1.83 1.05 -2.50 0.00 0.00 175.30 175.69 2pni h GLU 19 N 6.01 0.00 0.74 5.12 4.11 -2.02 -0.48 114.58 128.07 2pni h GLU 19 Ca -0.25 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.15 2pni h GLU 19 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2pni h GLU 19 CO 0.50 0.00 -0.38 0.93 0.07 0.00 0.00 179.01 180.13 2pni h GLU 20 N 0.00 -1.00 -7.53 1.06 4.39 -1.98 -3.45 114.58 106.07 2pni h GLU 20 Ca 0.07 0.07 -0.46 0.00 0.34 0.00 0.00 59.36 59.38 2pni h GLU 20 Cb 0.95 0.23 0.11 0.00 -0.10 0.00 0.00 28.75 29.94 2pni h GLU 20 CO -0.00 -0.66 0.32 0.16 -1.16 0.00 0.00 179.01 177.66 2pni s ASP 21 N -4.29 4.06 0.40 1.42 1.47 -0.19 -3.26 116.67 116.29 2pni s ASP 21 Ca -0.18 0.33 0.04 0.00 1.18 0.00 0.00 52.55 53.92 2pni s ASP 21 Cb 0.03 -0.69 -0.03 0.00 -0.34 0.00 0.00 42.92 41.90 2pni s ASP 21 CO 0.61 -2.11 0.12 0.27 0.68 0.00 0.00 175.17 174.74 2pni s ILE 22 N -3.53 0.68 0.23 2.11 -4.36 -1.24 -4.76 121.20 110.32 2pni s ILE 22 Ca 0.66 -2.00 -0.30 0.00 -0.26 0.00 0.00 60.65 58.76 2pni s ILE 22 Cb -0.07 -2.39 -0.09 0.00 1.25 0.00 0.00 42.46 41.16 2pni s ILE 22 CO 0.49 0.00 1.21 -1.81 0.24 0.00 0.00 174.94 175.06 2pni s ASP 23 N -3.60 7.06 -0.06 4.36 1.11 -1.26 -4.32 116.67 119.96 2pni s ASP 23 Ca 0.25 2.33 0.04 0.00 0.18 0.00 0.00 52.55 55.34 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 0.14 -0.36 -0.16 -0.76 1.18 0.00 0.00 175.17 175.21 2pni s LEU 24 N -0.70 1.85 0.23 1.23 1.43 -0.08 -5.01 118.68 117.63 2pni s LEU 24 Ca 0.51 -0.35 -0.06 0.00 -1.03 0.00 0.00 54.13 53.20 2pni s LEU 24 Cb -0.34 -0.96 -0.02 0.00 0.03 0.00 0.00 46.19 44.90 2pni s LEU 24 CO 0.40 0.12 0.29 -1.38 0.23 0.00 0.00 176.35 176.01 2pni s HIS 25 N 0.26 0.84 0.60 0.29 -3.43 -1.26 -1.38 115.29 111.21 2pni s HIS 25 Ca -0.09 -1.11 -0.18 0.00 -0.80 0.00 0.00 55.06 52.88 2pni s HIS 25 Cb -0.13 -0.23 -0.03 0.00 -1.43 0.00 0.00 32.58 30.76 2pni s HIS 25 CO 0.03 -0.82 1.17 -0.51 -2.00 0.00 0.00 174.74 172.62 2pni s LEU 26 N -3.11 3.62 0.00 5.38 1.43 -1.26 -2.93 118.68 121.80 2pni s LEU 26 Ca 0.32 2.28 0.00 0.00 -1.03 0.00 0.00 54.13 55.69 2pni s LEU 26 Cb 0.03 -4.59 0.00 0.00 0.03 0.00 0.00 46.19 41.67 2pni s LEU 26 CO 0.12 -1.56 0.00 0.61 0.23 0.00 0.00 176.35 175.74 2pni n GLY 27 N 0.26 1.62 3.59 -3.19 0.00 -1.26 -4.93 105.19 101.28 2pni n GLY 27 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 2pni n GLY 27 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2pni s ASP 28 N -3.08 6.20 0.29 1.61 2.15 -1.15 -4.94 116.67 117.75 2pni s ASP 28 Ca 0.00 0.66 -0.09 0.00 0.43 0.00 0.00 52.55 53.55 2pni s ASP 28 Cb 0.00 -2.54 -0.07 0.00 -0.30 0.00 0.00 42.92 40.01 2pni s ASP 28 CO 0.00 -1.57 0.61 -0.63 -0.17 0.00 0.00 175.17 173.41 2pni s ILE 29 N 5.86 4.90 -0.08 4.11 1.01 -1.26 -2.40 121.20 133.34 2pni s ILE 29 Ca 0.60 0.43 0.02 0.00 0.00 0.00 0.00 60.65 61.69 2pni s ILE 29 Cb -0.13 -3.67 0.02 0.00 0.01 0.00 0.00 42.46 38.68 2pni s ILE 29 CO 0.30 -0.25 -0.11 -0.76 0.00 0.00 0.00 174.94 174.12 2pni s LEU 30 N -3.26 1.52 -0.08 2.97 1.02 -0.66 -4.27 118.68 115.93 2pni s LEU 30 Ca 0.48 -0.29 -0.01 0.00 0.02 0.00 0.00 54.13 54.32 2pni s LEU 30 Cb -0.11 -0.81 -0.03 0.00 0.02 0.00 0.00 46.19 45.26 2pni s LEU 30 CO 0.25 -0.01 -0.00 -0.89 0.02 0.00 0.00 176.35 175.72 2pni s THR 31 N 0.93 4.26 0.00 5.49 2.01 -0.95 -1.69 115.64 125.69 2pni s THR 31 Ca -0.10 -0.28 0.00 0.00 0.31 0.00 0.00 61.69 61.62 2pni s THR 31 Cb -0.15 -2.79 0.00 0.00 0.01 0.00 0.00 72.50 69.57 2pni s THR 31 CO 0.01 0.59 0.00 0.52 -0.69 0.00 0.00 174.62 175.05 2pni n VAL 32 N 2.10 0.00 -2.22 3.82 0.31 -1.01 -2.70 118.33 118.64 2pni n VAL 32 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 2pni n VAL 32 Cb 0.54 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.47 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 0.70 0.00 4.52 5.03 -1.26 -4.79 115.26 119.46 2pni n ASN 33 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 2pni n ASN 33 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 2pni n ASN 33 CO 0.00 0.00 0.00 2.29 -1.83 0.00 0.00 177.26 177.72 2pni n LYS 34 N 0.00 -0.05 0.02 3.52 2.85 -1.26 -3.37 118.16 119.87 2pni n LYS 34 Ca 0.00 -0.06 -0.11 0.00 -1.05 0.00 0.00 58.31 57.10 2pni n LYS 34 Cb 0.00 -0.53 -0.05 0.00 -0.65 0.00 0.00 35.03 33.81 2pni n LYS 34 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 177.40 178.13 2pni h GLY 35 N 0.00 -0.02 0.00 2.58 0.00 -1.98 -3.41 103.07 100.24 2pni h GLY 35 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.40 2pni h GLY 35 CO 0.00 -0.07 0.00 1.44 0.00 0.00 0.00 176.54 177.91 2pni n SER 36 N -5.19 0.00 0.00 0.19 7.64 -1.26 -4.85 113.62 110.15 2pni n SER 36 Ca -0.05 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.83 2pni n SER 36 Cb 0.11 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.31 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 0.00 0.00 0.24 -3.43 -0.00 -1.26 -4.76 117.00 107.79 2pni n LEU 37 Ca 0.00 0.00 0.17 0.00 -0.00 0.00 0.00 56.01 56.18 2pni n LEU 37 Cb 0.00 0.00 0.79 0.00 -0.00 0.00 0.00 43.42 44.21 2pni n LEU 37 CO 0.00 0.00 0.99 0.58 -0.00 0.00 0.00 177.39 178.96 2pni h VAL 38 N 0.00 0.00 -0.84 1.47 2.07 -1.89 -1.29 116.25 115.77 2pni h VAL 38 Ca 0.00 -0.20 0.24 0.00 0.82 0.00 0.00 66.70 67.56 2pni h VAL 38 Cb 0.00 1.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 2pni h VAL 38 CO 0.00 0.00 0.72 0.00 0.02 0.00 0.00 177.57 178.31 2pni h ALA 39 N 2.06 2.69 0.00 1.67 0.00 -1.91 -0.01 119.26 123.76 2pni h ALA 39 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2pni h ALA 39 Cb 0.23 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2pni h ALA 39 CO 0.00 -1.15 -1.06 1.28 0.00 0.00 0.00 179.25 178.32 2pni n LEU 40 N -3.91 0.51 0.00 0.00 4.32 -0.52 -4.98 117.00 112.43 2pni n LEU 40 Ca 0.17 -0.34 0.00 0.00 -0.02 0.00 0.00 56.01 55.82 2pni n LEU 40 Cb 1.01 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.81 2pni n LEU 40 CO 0.33 0.13 0.00 0.61 -1.22 0.00 0.00 177.39 177.24 2pni n GLY 41 N 1.44 1.61 3.98 -0.72 0.00 -0.02 -5.11 105.19 106.37 2pni n GLY 41 Ca 0.01 -0.08 -0.20 0.00 0.00 0.00 0.00 46.02 45.75 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 2.93 -0.20 1.61 0.40 -1.01 -4.95 117.98 114.76 2pni s PHE 42 Ca 0.00 -0.07 -0.04 0.00 -0.60 0.00 0.00 56.93 56.22 2pni s PHE 42 Cb 0.00 -2.53 0.10 0.00 0.51 0.00 0.00 43.02 41.10 2pni s PHE 42 CO 0.00 -0.61 0.29 0.45 0.70 0.00 0.00 175.22 176.05 2pni s SER 43 N -4.35 0.77 -0.05 1.36 0.15 -1.26 -3.83 113.70 106.48 2pni s SER 43 Ca 0.54 0.11 -0.00 0.00 0.70 0.00 0.00 55.95 57.30 2pni s SER 43 Cb -0.10 0.71 0.00 0.00 -1.71 0.00 0.00 66.02 64.92 2pni s SER 43 CO 0.36 -0.30 0.00 -0.67 1.20 0.00 0.00 173.24 173.84 2pni n ASP 44 N 5.34 -6.78 0.00 5.45 2.03 -1.26 -4.97 116.55 116.36 2pni n ASP 44 Ca -0.05 0.60 0.00 0.00 0.52 0.00 0.00 54.79 55.86 2pni n ASP 44 Cb 0.50 -2.19 0.00 0.00 -0.72 0.00 0.00 41.12 38.71 2pni n ASP 44 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2pni n GLY 45 N 1.27 0.86 2.82 0.27 0.00 -1.26 -5.09 105.19 104.06 2pni n GLY 45 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.16 -3.09 -0.02 1.61 1.13 -1.26 -4.52 117.38 111.06 2pni n GLN 46 Ca 0.00 2.47 0.22 0.00 -1.94 0.00 0.00 57.00 57.75 2pni n GLN 46 Cb 0.05 -3.40 0.55 0.00 0.11 0.00 0.00 30.24 27.56 2pni n GLN 46 CO 0.00 0.00 0.00 1.05 -1.44 0.00 0.00 177.06 176.67 2pni h GLU 47 N 4.30 0.00 -0.32 -1.09 9.09 -1.99 0.15 114.58 124.72 2pni h GLU 47 Ca -0.28 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.13 2pni h GLU 47 Cb 0.72 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.82 2pni h GLU 47 CO 0.02 0.00 0.00 0.00 0.05 0.00 0.00 179.01 179.08 2pni n ALA 48 N -2.20 2.47 -3.58 1.06 0.00 -1.26 -4.46 120.51 112.54 2pni n ALA 48 Ca 0.14 -0.54 -0.27 0.00 0.00 0.00 0.00 53.44 52.77 2pni n ALA 48 Cb 1.07 -0.98 -0.10 0.00 0.00 0.00 0.00 19.45 19.44 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 0.39 1.26 0.28 0.00 5.02 0.53 -4.92 118.16 120.71 2pni n LYS 49 Ca 0.10 -3.93 0.19 0.00 -2.02 0.00 0.00 58.31 52.65 2pni n LYS 49 Cb 0.27 -1.95 1.00 0.00 -0.02 0.00 0.00 35.03 34.32 2pni n LYS 49 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 2pni h PRO 50 N 5.13 0.00 -0.91 1.97 0.14 -1.80 -3.19 132.00 133.35 2pni h PRO 50 Ca 0.19 0.00 0.13 0.00 0.14 0.00 0.00 66.00 66.46 2pni h PRO 50 Cb 0.81 0.00 -0.09 0.00 0.14 0.00 0.00 31.00 31.86 2pni h PRO 50 CO 0.59 0.00 0.52 0.93 0.14 0.00 0.00 178.00 180.18 2pni h GLU 51 N 0.00 0.76 0.00 0.86 4.39 -1.92 -1.89 114.58 116.78 2pni h GLU 51 Ca 0.00 -0.05 -0.18 0.00 0.34 0.00 0.00 59.36 59.47 2pni h GLU 51 Cb 0.01 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 28.46 2pni h GLU 51 CO 0.00 0.50 -1.41 1.05 -1.16 0.00 0.00 179.01 177.99 2pni h GLU 52 N 0.78 0.00 -6.72 2.33 4.11 -1.88 -3.47 114.58 109.74 2pni h GLU 52 Ca 0.47 0.00 -0.49 0.00 0.07 0.00 0.00 59.36 59.41 2pni h GLU 52 Cb 0.58 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 2pni h GLU 52 CO -0.31 0.33 0.35 0.42 0.07 0.00 0.00 179.01 179.87 2pni s ILE 53 N -2.88 4.13 0.00 -1.06 1.01 -0.71 -5.02 121.20 116.68 2pni s ILE 53 Ca -0.03 2.08 0.00 0.00 0.00 0.00 0.00 60.65 62.71 2pni s ILE 53 Cb 0.09 -4.33 0.00 0.00 0.01 0.00 0.00 42.46 38.23 2pni s ILE 53 CO 0.81 0.47 0.00 0.61 0.00 0.00 0.00 174.94 176.83 2pni n GLY 54 N 1.61 0.89 3.61 6.18 0.00 -1.26 -4.31 105.19 111.90 2pni n GLY 54 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 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 0.15 3.25 -0.10 1.61 0.52 -1.26 -0.71 118.94 122.39 2pni s TRP 55 Ca 0.00 0.40 -0.12 0.00 0.02 0.00 0.00 56.10 56.40 2pni s TRP 55 Cb 0.00 -2.56 -0.05 0.00 -1.15 0.00 0.00 33.47 29.72 2pni s TRP 55 CO 0.00 -0.21 0.27 -0.51 0.02 0.00 0.00 176.95 176.52 2pni s LEU 56 N 2.01 4.36 -0.25 2.99 1.02 -0.47 -4.93 118.68 123.41 2pni s LEU 56 Ca 0.15 0.62 -0.12 0.00 0.02 0.00 0.00 54.13 54.79 2pni s LEU 56 Cb -0.16 -2.32 -0.05 0.00 0.02 0.00 0.00 46.19 43.68 2pni s LEU 56 CO 0.10 0.27 0.23 0.21 0.02 0.00 0.00 176.35 177.18 2pni s ASN 57 N -0.49 6.16 0.32 2.29 3.04 -1.26 -1.13 114.94 123.87 2pni s ASN 57 Ca 0.18 0.17 -0.06 0.00 0.04 0.00 0.00 52.86 53.18 2pni s ASN 57 Cb -0.14 -2.14 0.03 0.00 -1.54 0.00 0.00 41.25 37.46 2pni s ASN 57 CO 0.06 -0.01 0.53 0.61 -3.04 0.00 0.00 177.10 175.25 2pni n GLY 58 N 4.44 1.78 3.05 1.21 0.00 -0.90 -4.80 105.19 109.96 2pni n GLY 58 Ca -0.13 -1.43 -0.17 0.00 0.00 0.00 0.00 46.02 44.29 2pni n GLY 58 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2pni s TYR 59 N -3.19 0.79 -0.56 1.61 1.13 -1.10 -2.43 117.35 113.61 2pni s TYR 59 Ca 0.20 -0.28 -0.13 0.00 -1.41 0.00 0.00 57.07 55.45 2pni s TYR 59 Cb -0.02 -0.49 0.14 0.00 -1.10 0.00 0.00 41.96 40.49 2pni s TYR 59 CO 0.15 -0.02 0.49 0.54 -2.51 0.00 0.00 175.55 174.20 2pni s ASN 60 N -0.79 6.10 0.54 -0.18 4.22 -0.28 -2.25 114.94 122.30 2pni s ASN 60 Ca -0.01 -1.97 0.22 0.00 -2.14 0.00 0.00 52.86 48.96 2pni s ASN 60 Cb -0.06 -2.15 1.39 0.00 1.28 0.00 0.00 41.25 41.72 2pni s ASN 60 CO 0.00 -0.77 2.10 -0.33 -2.04 0.00 0.00 177.10 176.06 2pni h GLU 61 N 8.58 0.00 -0.77 3.55 5.08 -1.80 0.16 114.58 129.37 2pni h GLU 61 Ca -0.22 0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.27 2pni h GLU 61 Cb 1.08 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.25 2pni h GLU 61 CO 0.95 0.00 0.37 1.15 -1.00 0.00 0.00 179.01 180.48 2pni h THR 62 N 0.00 0.76 -0.02 1.13 2.02 -1.92 -1.99 112.91 112.90 2pni h THR 62 Ca 0.10 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 67.08 2pni h THR 62 Cb 0.41 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 66.96 2pni h THR 62 CO -0.00 0.11 -0.36 0.35 0.37 0.00 0.00 175.52 175.99 2pni n THR 63 N -4.89 0.00 -2.27 3.16 -2.24 -0.78 -4.96 114.28 102.29 2pni n THR 63 Ca 0.14 -0.32 -0.19 0.00 -2.27 0.00 0.00 64.05 61.41 2pni n THR 63 Cb 0.36 1.26 -0.02 0.00 -2.10 0.00 0.00 70.33 69.83 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 -0.13 3.84 3.38 0.00 0.49 -4.99 105.19 109.06 2pni n GLY 64 Ca 0.09 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 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 -4.82 3.05 -0.05 1.61 0.41 -0.84 -4.96 118.70 113.11 2pni s GLU 65 Ca 0.00 -0.82 -0.04 0.00 -0.41 0.00 0.00 54.97 53.70 2pni s GLU 65 Cb 0.00 -2.72 0.02 0.00 -1.78 0.00 0.00 34.13 29.65 2pni s GLU 65 CO 0.00 0.48 0.12 -0.98 -0.49 0.00 0.00 175.26 174.39 2pni s ARG 66 N -3.25 0.12 0.00 1.61 1.70 -1.26 -1.12 118.95 116.74 2pni s ARG 66 Ca 0.32 0.20 0.00 0.00 -0.47 0.00 0.00 55.73 55.78 2pni s ARG 66 Cb -0.10 0.00 0.00 0.00 -0.57 0.00 0.00 34.95 34.28 2pni s ARG 66 CO 0.25 -0.05 0.00 0.41 -1.08 0.00 0.00 175.30 174.83 2pni n GLY 67 N 3.31 -0.62 3.76 3.88 0.00 -1.02 -4.86 105.19 109.64 2pni n GLY 67 Ca -0.16 -0.60 -0.28 0.00 0.00 0.00 0.00 46.02 44.99 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 5.35 -0.02 1.61 1.01 -1.20 -2.12 116.67 117.30 2pni s ASP 68 Ca 0.00 -0.15 -0.12 0.00 0.71 0.00 0.00 52.55 52.99 2pni s ASP 68 Cb 0.00 -1.35 0.02 0.00 1.01 0.00 0.00 42.92 42.59 2pni s ASP 68 CO 0.00 0.11 0.26 0.72 0.21 0.00 0.00 175.17 176.46 2pni s PHE 69 N -1.62 -0.13 0.84 4.23 -0.71 -0.29 -3.71 117.98 116.59 2pni s PHE 69 Ca 0.29 0.20 -0.12 0.00 -1.04 0.00 0.00 56.93 56.27 2pni s PHE 69 Cb -0.11 0.06 0.10 0.00 -1.21 0.00 0.00 43.02 41.86 2pni s PHE 69 CO 0.22 -0.33 1.16 -1.25 -1.34 0.00 0.00 175.22 173.67 2pni s PRO 70 N -1.18 1.52 -0.79 1.99 0.05 -1.26 -1.37 135.00 133.95 2pni s PRO 70 Ca -0.12 1.58 0.00 0.00 0.05 0.00 0.00 61.00 62.50 2pni s PRO 70 Cb -0.06 -1.78 0.35 0.00 0.05 0.00 0.00 34.50 33.07 2pni s PRO 70 CO 0.03 -2.27 1.69 0.41 0.05 0.00 0.00 177.00 176.91 2pni n GLY 71 N 0.10 5.78 0.00 0.56 0.00 0.11 -4.29 105.19 107.46 2pni n GLY 71 Ca 0.12 -2.59 0.00 0.00 0.00 0.00 0.00 46.02 43.55 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 -0.38 0.00 1.13 2.61 5.66 -1.26 -4.09 114.28 117.95 2pni n THR 72 Ca 0.47 0.00 0.12 0.00 -3.05 0.00 0.00 64.05 61.59 2pni n THR 72 Cb 0.34 0.18 0.20 0.00 -1.55 0.00 0.00 70.33 69.49 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 0.00 0.00 -3.14 1.09 4.01 -1.26 -4.95 117.16 112.91 2pni n TYR 73 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2pni n TYR 73 Cb 0.00 -0.06 0.00 0.00 -0.31 0.00 0.00 39.34 38.97 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 -0.33 0.00 -3.48 -0.72 0.24 -1.26 -1.40 118.33 111.38 2pni n VAL 74 Ca 0.11 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.29 2pni n VAL 74 Cb 0.41 -0.52 -0.10 0.00 -1.47 0.00 0.00 33.84 32.16 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 -0.61 0.27 0.03 7.34 2.12 0.19 -4.69 118.70 123.36 2pni s GLU 75 Ca 0.00 0.57 -0.37 0.00 0.36 0.00 0.00 54.97 55.53 2pni s GLU 75 Cb 0.00 -0.45 -0.16 0.00 0.26 0.00 0.00 34.13 33.78 2pni s GLU 75 CO 0.00 -0.53 1.43 0.98 -0.54 0.00 0.00 175.26 176.60 2pni n TYR 76 N 5.36 1.66 0.00 5.30 4.19 -1.26 -1.19 117.16 131.22 2pni n TYR 76 Ca -0.05 0.59 0.00 0.00 3.31 0.00 0.00 57.90 61.75 2pni n TYR 76 Cb 0.50 -2.37 0.00 0.00 0.49 0.00 0.00 39.34 37.96 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 2.94 0.00 -4.17 2.97 -5.35 -1.04 -4.89 119.36 109.82 2pni n ILE 77 Ca 0.20 0.00 -0.22 0.00 -0.27 0.00 0.00 62.75 62.45 2pni n ILE 77 Cb 0.19 -0.42 -0.06 0.00 -1.74 0.00 0.00 39.64 37.61 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 -1.31 1.62 -0.19 3.28 0.00 -1.26 -4.99 107.32 104.48 2pni s GLY 78 Ca 0.00 -1.60 0.16 0.00 0.00 0.00 0.00 44.72 43.28 2pni s GLY 78 CO 0.00 -1.62 1.36 0.54 0.00 0.00 0.00 173.10 173.38 2pni n ARG 79 N -1.07 2.31 -0.85 2.90 3.00 -1.26 -2.38 116.66 119.31 2pni n ARG 79 Ca -0.06 -2.86 -0.05 0.00 -0.01 0.00 0.00 57.85 54.87 2pni n ARG 79 Cb 0.59 -1.76 -0.05 0.00 0.00 0.00 0.00 32.46 31.24 2pni n ARG 79 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 2pni n LYS 80 N -0.86 0.00 -0.14 5.56 2.85 0.67 -3.84 118.16 122.41 2pni n LYS 80 Ca 0.22 -0.71 0.01 0.00 -1.05 0.00 0.00 58.31 56.78 2pni n LYS 80 Cb 0.86 0.40 0.07 0.00 -0.65 0.00 0.00 35.03 35.70 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 0.00 1.59 -3.22 -1.58 3.00 0.12 -4.73 118.16 113.34 2pni n LYS 81 Ca -0.20 -0.53 -0.39 0.00 -0.00 0.00 0.00 58.31 57.19 2pni n LYS 81 Cb 0.61 -1.50 -0.06 0.00 0.00 0.00 0.00 35.03 34.08 2pni n LYS 81 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.40 175.90 2pni s ILE 82 N -1.44 4.95 0.19 3.15 2.07 -1.06 -4.77 121.20 124.29 2pni s ILE 82 Ca 0.09 1.21 -0.11 0.00 -1.41 0.00 0.00 60.65 60.43 2pni s ILE 82 Cb 0.07 -3.92 -0.00 0.00 0.13 0.00 0.00 42.46 38.74 2pni s ILE 82 CO 0.04 0.40 0.38 -0.44 -1.91 0.00 0.00 174.94 173.41 2pni s SER 83 N -0.07 -0.05 0.00 4.50 0.01 -1.26 -4.79 113.70 112.03 2pni s SER 83 Ca 0.30 -0.82 0.00 0.00 1.31 0.00 0.00 55.95 56.75 2pni s SER 83 Cb -0.18 0.50 0.00 0.00 0.21 0.00 0.00 66.02 66.55 2pni s SER 83 CO 0.16 -0.98 0.47 -0.81 0.41 0.00 0.00 173.24 172.48