#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bje s LEU 6 N 0.00 4.49 0.26 -0.89 1.43 -1.26 -2.32 118.68 120.38 2bje s LEU 6 Ca 0.00 1.63 0.01 0.00 -1.03 0.00 0.00 54.13 54.74 2bje s LEU 6 Cb 0.00 -3.40 -0.04 0.00 0.03 0.00 0.00 46.19 42.77 2bje s LEU 6 CO 0.00 -0.00 0.14 -0.54 0.23 0.00 0.00 176.35 176.18 2bje s LYS 7 N -0.15 1.41 -0.06 1.70 1.02 -0.23 -4.18 119.74 119.25 2bje s LYS 7 Ca 0.42 -1.77 0.01 0.00 0.02 0.00 0.00 55.97 54.65 2bje s LYS 7 Cb -0.22 -0.00 -0.03 0.00 -0.52 0.00 0.00 37.83 37.06 2bje s LYS 7 CO 0.26 -0.39 -0.08 0.50 -0.92 0.00 0.00 175.35 174.73 2bje s ARG 8 N -3.98 2.70 -0.05 1.68 3.52 -0.19 -1.61 118.95 121.02 2bje s ARG 8 Ca 0.38 -0.58 0.06 0.00 -0.13 0.00 0.00 55.73 55.46 2bje s ARG 8 Cb 0.06 -2.56 -0.01 0.00 -1.56 0.00 0.00 34.95 30.88 2bje s ARG 8 CO 0.15 0.66 -0.23 1.41 -0.81 0.00 0.00 175.30 176.47 2bje s MET 9 N -0.86 2.34 -0.15 5.12 -2.45 0.18 0.26 119.30 123.74 2bje s MET 9 Ca 0.13 -0.85 -0.04 0.00 -1.25 0.00 0.00 55.69 53.68 2bje s MET 9 Cb -0.11 -2.02 -0.03 0.00 1.25 0.00 0.00 34.83 33.92 2bje s MET 9 CO 0.02 0.37 -0.01 0.71 1.05 0.00 0.00 175.02 177.16 2bje s TYR 10 N -0.17 3.09 -0.02 4.11 1.51 -0.11 -1.08 117.35 124.66 2bje s TYR 10 Ca -0.02 -0.15 0.02 0.00 -1.01 0.00 0.00 57.07 55.91 2bje s TYR 10 Cb -0.13 -1.96 0.00 0.00 -0.11 0.00 0.00 41.96 39.77 2bje s TYR 10 CO 0.03 0.08 -0.08 0.00 -1.11 0.00 0.00 175.55 174.47 2bje s ALA 11 N 0.18 0.77 -0.14 3.71 0.00 0.45 -1.05 121.76 125.69 2bje s ALA 11 Ca -0.00 -0.28 -0.03 0.00 0.00 0.00 0.00 51.96 51.65 2bje s ALA 11 Cb -0.13 -0.30 -0.03 0.00 0.00 0.00 0.00 23.12 22.66 2bje s ALA 11 CO 0.02 0.12 -0.05 0.50 0.00 0.00 0.00 175.76 176.35 2bje s ARG 12 N 0.22 3.55 -0.12 0.00 6.06 0.02 0.42 118.95 129.11 2bje s ARG 12 Ca -0.03 -0.54 0.02 0.00 -2.50 0.00 0.00 55.73 52.68 2bje s ARG 12 Cb -0.08 -2.85 -0.01 0.00 0.06 0.00 0.00 34.95 32.07 2bje s ARG 12 CO 0.00 0.28 -0.18 0.08 -2.50 0.00 0.00 175.30 172.98 2bje s VAL 13 N 0.24 2.54 0.12 7.11 1.01 0.98 -1.69 120.40 130.71 2bje s VAL 13 Ca -0.03 -0.84 0.08 0.00 0.00 0.00 0.00 61.98 61.19 2bje s VAL 13 Cb -0.14 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.17 2bje s VAL 13 CO 0.03 0.54 -0.15 -0.31 0.00 0.00 0.00 175.10 175.21 2bje s TYR 14 N 0.43 2.61 -5.00 5.22 1.51 0.73 -1.41 117.35 121.44 2bje s TYR 14 Ca -0.13 -0.23 0.00 0.00 -1.01 0.00 0.00 57.07 55.70 2bje s TYR 14 Cb -0.17 -1.36 0.00 0.00 -0.11 0.00 0.00 41.96 40.32 2bje s TYR 14 CO 0.06 0.41 0.00 0.41 -1.11 0.00 0.00 175.55 175.32 2bje n GLY 15 N 0.67 0.55 3.56 0.71 0.00 -1.26 -0.66 105.19 108.76 2bje n GLY 15 Ca -0.14 -1.57 -0.41 0.00 0.00 0.00 0.00 46.02 43.89 2bje n GLY 15 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2bje s LEU 16 N 0.00 3.61 0.00 0.99 2.96 -0.28 -4.76 118.68 121.20 2bje s LEU 16 Ca 0.00 -1.60 0.00 0.00 -0.22 0.00 0.00 54.13 52.31 2bje s LEU 16 Cb 0.00 -2.56 0.00 0.00 0.50 0.00 0.00 46.19 44.13 2bje s LEU 16 CO 0.00 -1.45 0.40 1.33 -1.32 0.00 0.00 176.35 175.32 2bje n VAL 17 N 6.76 0.07 -4.15 1.68 0.24 -1.26 -1.53 118.33 120.13 2bje n VAL 17 Ca 0.34 -0.39 -0.34 0.00 -2.04 0.00 0.00 64.34 61.92 2bje n VAL 17 Cb 0.50 1.22 -0.08 0.00 -1.47 0.00 0.00 33.84 34.02 2bje n VAL 17 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 2bje s GLN 18 N -0.07 3.06 0.00 7.34 -0.21 -1.26 -4.53 119.66 124.00 2bje s GLN 18 Ca 0.00 -0.45 0.00 0.00 0.02 0.00 0.00 55.36 54.93 2bje s GLN 18 Cb 0.00 -2.86 0.00 0.00 1.00 0.00 0.00 33.01 31.15 2bje s GLN 18 CO 0.00 0.67 0.00 0.41 -2.12 0.00 0.00 175.29 174.25 2bje n GLY 19 N 1.46 0.57 0.47 3.09 0.00 -1.26 -4.92 105.19 104.60 2bje n GLY 19 Ca -0.15 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.92 2bje n GLY 19 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2bje n VAL 20 N -2.85 0.86 -0.94 1.61 0.24 -1.26 -4.99 118.33 111.01 2bje n VAL 20 Ca 0.00 -1.20 0.00 0.00 -2.04 0.00 0.00 64.34 61.10 2bje n VAL 20 Cb 0.00 0.23 0.00 0.00 -1.47 0.00 0.00 33.84 32.60 2bje n VAL 20 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2bje n GLY 21 N -0.55 0.77 0.35 7.63 0.00 -1.26 -4.23 105.19 107.89 2bje n GLY 21 Ca 0.08 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.06 2bje n GLY 21 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2bje h PHE 22 N 0.00 1.19 -0.03 1.61 3.04 -1.94 -0.33 116.94 120.48 2bje h PHE 22 Ca 0.00 -0.06 -0.22 0.00 3.98 0.00 0.00 57.97 61.68 2bje h PHE 22 Cb 0.00 -0.37 0.00 0.00 2.56 0.00 0.00 35.95 38.14 2bje h PHE 22 CO 0.00 0.86 -0.88 0.00 -2.02 0.00 0.00 178.31 176.27 2bje h ARG 23 N 1.18 0.46 -0.32 1.11 3.08 -1.92 0.43 114.38 118.41 2bje h ARG 23 Ca 0.29 -0.45 -0.15 0.00 0.07 0.00 0.00 59.98 59.74 2bje h ARG 23 Cb 0.11 0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.28 2bje h ARG 23 CO -0.04 1.10 -0.37 0.87 -1.07 0.00 0.00 179.97 180.46 2bje h LYS 24 N 0.28 0.81 -0.25 0.04 1.57 -1.96 0.13 116.57 117.19 2bje h LYS 24 Ca -0.07 -0.45 0.05 0.00 -1.87 0.00 0.00 60.65 58.31 2bje h LYS 24 Cb 1.51 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 33.80 2bje h LYS 24 CO 0.16 1.09 -0.04 0.35 -0.57 0.00 0.00 179.45 180.44 2bje h PHE 25 N 0.59 -0.08 -0.08 -1.35 3.57 -0.65 -0.40 116.94 118.53 2bje h PHE 25 Ca 0.04 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.60 2bje h PHE 25 Cb 0.96 0.07 -0.04 0.00 2.79 0.00 0.00 35.95 39.74 2bje h PHE 25 CO 0.07 -0.08 -0.15 0.28 -2.23 0.00 0.00 178.31 176.21 2bje h VAL 26 N 0.03 0.62 -0.10 1.41 2.07 -0.76 -1.81 116.25 117.71 2bje h VAL 26 Ca 0.12 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.68 2bje h VAL 26 Cb 0.17 0.62 -0.05 0.00 -1.52 0.00 0.00 31.29 30.51 2bje h VAL 26 CO -0.23 0.00 -0.21 -0.61 0.02 0.00 0.00 177.57 176.54 2bje h GLN 27 N -0.20 -0.27 -0.84 1.57 4.15 -0.72 0.11 115.11 118.92 2bje h GLN 27 Ca 0.08 0.02 0.02 0.00 0.77 0.00 0.00 58.65 59.53 2bje h GLN 27 Cb 0.31 0.06 -0.04 0.00 0.21 0.00 0.00 27.48 28.02 2bje h GLN 27 CO -0.20 -0.18 0.55 0.82 -1.93 0.00 0.00 178.83 177.89 2bje h ILE 28 N -0.28 1.19 -0.06 2.39 1.08 -0.94 -0.60 117.51 120.28 2bje h ILE 28 Ca 0.09 -0.38 -0.13 0.00 -0.39 0.00 0.00 64.86 64.05 2bje h ILE 28 Cb 0.41 -0.01 -0.01 0.00 -3.07 0.00 0.00 36.82 34.13 2bje h ILE 28 CO -0.26 0.20 -0.53 0.45 -0.69 0.00 0.00 178.15 177.32 2bje h HIS 29 N 1.10 0.22 -0.48 1.37 3.86 -0.96 -2.29 115.15 117.97 2bje h HIS 29 Ca 0.32 -0.08 -0.04 0.00 -1.16 0.00 0.00 60.37 59.41 2bje h HIS 29 Cb -0.08 -0.04 -0.02 0.00 1.06 0.00 0.00 27.41 28.32 2bje h HIS 29 CO -0.02 0.67 0.13 0.00 0.86 0.00 0.00 177.93 179.58 2bje h ALA 30 N 1.31 0.64 -0.81 2.45 0.00 -0.42 -2.52 119.26 119.90 2bje h ALA 30 Ca 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 2bje h ALA 30 Cb 0.98 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 2bje h ALA 30 CO 0.08 0.32 0.45 0.82 0.00 0.00 0.00 179.25 180.92 2bje h ILE 31 N 0.65 1.24 -0.04 0.00 2.04 -0.93 0.19 117.51 120.67 2bje h ILE 31 Ca 0.15 -0.59 -0.06 0.00 1.00 0.00 0.00 64.86 65.36 2bje h ILE 31 Cb 0.31 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.53 2bje h ILE 31 CO -0.00 0.26 -0.27 0.03 0.00 0.00 0.00 178.15 178.18 2bje h ARG 32 N 1.13 0.06 -0.36 2.37 3.08 -1.10 -1.19 114.38 118.37 2bje h ARG 32 Ca 0.29 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.32 2bje h ARG 32 Cb 0.02 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.07 2bje h ARG 32 CO -0.05 0.33 0.00 1.28 -1.07 0.00 0.00 179.97 180.46 2bje n LEU 33 N -4.20 2.29 -2.17 3.04 4.77 -0.82 -4.95 117.00 114.95 2bje n LEU 33 Ca -0.02 -1.08 -0.20 0.00 -0.03 0.00 0.00 56.01 54.69 2bje n LEU 33 Cb 0.33 -0.23 -0.02 0.00 -2.33 0.00 0.00 43.42 41.17 2bje n LEU 33 CO 0.38 0.54 -0.25 0.61 -1.33 0.00 0.00 177.39 177.34 2bje n GLY 34 N 1.22 -0.09 3.86 -0.72 0.00 -0.45 -4.96 105.19 104.05 2bje n GLY 34 Ca 0.16 -0.04 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 2bje n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bje s ILE 35 N -2.96 5.09 0.36 -0.61 1.01 -0.01 -4.92 121.20 119.16 2bje s ILE 35 Ca 0.00 0.58 0.09 0.00 0.00 0.00 0.00 60.65 61.32 2bje s ILE 35 Cb 0.00 -3.66 -0.06 0.00 0.01 0.00 0.00 42.46 38.75 2bje s ILE 35 CO 0.00 0.41 0.00 -0.54 0.00 0.00 0.00 174.94 174.81 2bje s LYS 36 N -1.56 2.01 0.00 2.79 1.02 -0.76 -4.29 119.74 118.95 2bje s LYS 36 Ca 0.29 -1.87 0.00 0.00 0.02 0.00 0.00 55.97 54.41 2bje s LYS 36 Cb -0.15 -1.83 0.00 0.00 -0.52 0.00 0.00 37.83 35.33 2bje s LYS 36 CO 0.16 0.08 0.00 0.41 -0.92 0.00 0.00 175.35 175.07 2bje n GLY 37 N -0.95 0.86 3.80 -3.33 0.00 -0.13 -0.48 105.19 104.97 2bje n GLY 37 Ca -0.04 -1.75 -0.07 0.00 0.00 0.00 0.00 46.02 44.15 2bje n GLY 37 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2bje s TYR 38 N -3.43 -0.07 -0.01 1.61 -0.85 0.41 -1.25 117.35 113.76 2bje s TYR 38 Ca 0.00 -0.38 0.04 0.00 -0.52 0.00 0.00 57.07 56.21 2bje s TYR 38 Cb 0.00 0.61 -0.01 0.00 0.38 0.00 0.00 41.96 42.94 2bje s TYR 38 CO 0.00 -1.20 -0.12 0.00 -1.52 0.00 0.00 175.55 172.71 2bje s ALA 39 N -3.89 0.97 -0.01 9.51 0.00 -0.79 -0.40 121.76 127.15 2bje s ALA 39 Ca 0.13 -0.49 0.00 0.00 0.00 0.00 0.00 51.96 51.60 2bje s ALA 39 Cb -0.05 -0.25 0.01 0.00 0.00 0.00 0.00 23.12 22.83 2bje s ALA 39 CO 0.08 0.23 0.01 0.21 0.00 0.00 0.00 175.76 176.28 2bje s LYS 40 N -0.24 0.01 0.34 0.00 2.20 0.62 -0.47 119.74 122.19 2bje s LYS 40 Ca 0.04 0.05 -0.28 0.00 -0.36 0.00 0.00 55.97 55.42 2bje s LYS 40 Cb -0.05 -0.09 -0.10 0.00 -1.51 0.00 0.00 37.83 36.08 2bje s LYS 40 CO -0.00 -0.05 1.21 -0.80 -0.36 0.00 0.00 175.35 175.34 2bje s ASN 41 N 0.33 6.84 0.21 1.43 0.02 -0.75 -1.01 114.94 122.01 2bje s ASN 41 Ca -0.03 2.47 0.07 0.00 -1.02 0.00 0.00 52.86 54.35 2bje s ASN 41 Cb -0.04 -2.63 -0.04 0.00 0.02 0.00 0.00 41.25 38.56 2bje s ASN 41 CO -0.01 -0.46 0.10 -0.76 0.02 0.00 0.00 177.10 175.98 2bje s LEU 42 N -1.90 3.59 0.60 0.60 1.43 -0.05 -4.89 118.68 118.05 2bje s LEU 42 Ca 0.50 -0.31 0.33 0.00 -1.03 0.00 0.00 54.13 53.62 2bje s LEU 42 Cb -0.35 -2.17 1.82 0.00 0.03 0.00 0.00 46.19 45.52 2bje s LEU 42 CO 0.45 0.03 2.02 -0.65 0.23 0.00 0.00 176.35 178.43 2bje h PRO 43 N 2.16 0.00 -0.34 1.29 0.11 -1.97 -2.56 132.00 130.69 2bje h PRO 43 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2bje h PRO 43 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2bje h PRO 43 CO 0.61 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.00 2bje n ASP 44 N -2.82 2.41 0.00 -2.05 5.75 -1.26 -4.90 116.55 113.68 2bje n ASP 44 Ca -0.02 -1.89 0.00 0.00 -0.01 0.00 0.00 54.79 52.87 2bje n ASP 44 Cb 0.21 -0.22 0.00 0.00 -1.03 0.00 0.00 41.12 40.08 2bje n ASP 44 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2bje n GLY 45 N 1.26 0.79 3.93 6.12 0.00 -0.96 -5.10 105.19 111.23 2bje n GLY 45 Ca 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 2bje n GLY 45 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2bje s SER 46 N -2.75 5.66 -0.07 1.61 1.04 -1.26 -4.21 113.70 113.72 2bje s SER 46 Ca 0.00 0.52 0.02 0.00 0.48 0.00 0.00 55.95 56.97 2bje s SER 46 Cb 0.00 -1.60 0.01 0.00 0.10 0.00 0.00 66.02 64.53 2bje s SER 46 CO 0.00 -0.94 -0.13 -0.69 0.98 0.00 0.00 173.24 172.46 2bje s VAL 47 N -2.82 1.21 -0.16 5.02 1.01 -0.50 -0.87 120.40 123.28 2bje s VAL 47 Ca 0.52 -0.52 -0.10 0.00 0.00 0.00 0.00 61.98 61.88 2bje s VAL 47 Cb -0.10 -1.10 -0.05 0.00 0.00 0.00 0.00 36.38 35.13 2bje s VAL 47 CO 0.42 0.37 0.18 -0.70 0.00 0.00 0.00 175.10 175.37 2bje s GLU 48 N 0.69 4.01 -0.14 2.72 2.56 -0.18 -0.01 118.70 128.35 2bje s GLU 48 Ca -0.14 -0.11 0.02 0.00 0.00 0.00 0.00 54.97 54.74 2bje s GLU 48 Cb -0.16 -3.36 0.01 0.00 2.00 0.00 0.00 34.13 32.62 2bje s GLU 48 CO 0.03 0.42 -0.20 0.08 -0.56 0.00 0.00 175.26 175.04 2bje s VAL 49 N -0.02 2.25 -0.20 3.70 1.01 0.17 -0.27 120.40 127.04 2bje s VAL 49 Ca 0.12 -0.92 -0.03 0.00 0.00 0.00 0.00 61.98 61.15 2bje s VAL 49 Cb -0.12 -1.91 -0.01 0.00 0.00 0.00 0.00 36.38 34.33 2bje s VAL 49 CO 0.01 0.54 -0.05 -0.69 0.00 0.00 0.00 175.10 174.91 2bje s VAL 50 N 0.77 3.43 -0.01 2.92 1.01 0.46 -0.41 120.40 128.58 2bje s VAL 50 Ca -0.07 -0.49 0.03 0.00 0.00 0.00 0.00 61.98 61.45 2bje s VAL 50 Cb -0.16 -2.54 -0.00 0.00 0.00 0.00 0.00 36.38 33.68 2bje s VAL 50 CO -0.00 0.44 -0.10 0.00 0.00 0.00 0.00 175.10 175.44 2bje s ALA 51 N 1.17 0.85 0.01 5.51 0.00 -0.25 -0.45 121.76 128.60 2bje s ALA 51 Ca 0.02 -0.41 0.06 0.00 0.00 0.00 0.00 51.96 51.64 2bje s ALA 51 Cb -0.14 -0.24 -0.02 0.00 0.00 0.00 0.00 23.12 22.71 2bje s ALA 51 CO -0.01 0.19 -0.19 -1.21 0.00 0.00 0.00 175.76 174.54 2bje s GLU 52 N -0.12 1.44 0.00 0.00 2.02 0.37 0.49 118.70 122.90 2bje s GLU 52 Ca 0.02 -0.76 0.00 0.00 0.02 0.00 0.00 54.97 54.25 2bje s GLU 52 Cb -0.05 -1.45 0.00 0.00 0.10 0.00 0.00 34.13 32.73 2bje s GLU 52 CO -0.00 0.39 0.00 0.41 0.02 0.00 0.00 175.26 176.08 2bje n GLY 53 N 2.33 -2.52 3.77 -1.39 0.00 -0.63 -1.82 105.19 104.92 2bje n GLY 53 Ca -0.16 -1.27 -0.35 0.00 0.00 0.00 0.00 46.02 44.24 2bje n GLY 53 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2bje s TYR 54 N -2.10 2.58 0.22 1.61 1.51 -1.26 -1.06 117.35 118.84 2bje s TYR 54 Ca 0.00 1.54 -0.09 0.00 -1.01 0.00 0.00 57.07 57.51 2bje s TYR 54 Cb 0.00 -3.34 0.18 0.00 -0.11 0.00 0.00 41.96 38.69 2bje s TYR 54 CO 0.00 -1.77 1.85 1.49 -1.11 0.00 0.00 175.55 176.01 2bje h GLU 55 N 1.02 1.12 -0.20 -0.62 4.81 -1.83 0.54 114.58 119.43 2bje h GLU 55 Ca -0.50 -0.11 -0.09 0.00 -0.13 0.00 0.00 59.36 58.53 2bje h GLU 55 Cb 1.27 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 30.41 2bje h GLU 55 CO 0.56 0.81 -0.25 1.49 -0.73 0.00 0.00 179.01 180.89 2bje h GLU 56 N 1.13 0.37 -0.23 1.92 4.22 -1.91 0.14 114.58 120.21 2bje h GLU 56 Ca 0.29 -0.13 -0.17 0.00 0.08 0.00 0.00 59.36 59.43 2bje h GLU 56 Cb -0.01 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.21 2bje h GLU 56 CO -0.05 0.60 -0.54 0.00 -2.18 0.00 0.00 179.01 176.84 2bje h ALA 57 N 1.41 0.62 -0.11 2.92 0.00 -1.63 -0.86 119.26 121.60 2bje h ALA 57 Ca 0.05 -0.51 -0.10 0.00 0.00 0.00 0.00 54.91 54.35 2bje h ALA 57 Cb 0.62 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2bje h ALA 57 CO 0.04 0.69 -0.39 -0.07 0.00 0.00 0.00 179.25 179.52 2bje h LEU 58 N 0.52 0.25 -0.58 0.00 3.38 -0.15 0.89 115.31 119.63 2bje h LEU 58 Ca 0.01 -0.10 -0.15 0.00 0.09 0.00 0.00 57.88 57.73 2bje h LEU 58 Cb 1.11 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 2bje h LEU 58 CO 0.11 0.62 -0.47 0.28 0.09 0.00 0.00 178.44 179.07 2bje h SER 59 N 0.21 0.63 -0.55 -0.43 0.02 -0.17 0.38 113.55 113.64 2bje h SER 59 Ca 0.02 -0.31 -0.11 0.00 -0.84 0.00 0.00 61.79 60.55 2bje h SER 59 Cb 0.78 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.12 2bje h SER 59 CO 0.06 1.01 -0.10 0.11 -1.14 0.00 0.00 176.83 176.77 2bje h LYS 60 N 0.47 1.03 -0.69 3.45 1.57 -0.08 -2.10 116.57 120.22 2bje h LYS 60 Ca 0.03 -0.38 -0.06 0.00 -1.87 0.00 0.00 60.65 58.37 2bje h LYS 60 Cb 1.00 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 33.21 2bje h LYS 60 CO 0.09 1.07 0.18 1.25 -0.57 0.00 0.00 179.45 181.47 2bje h LEU 61 N 0.91 1.03 -1.13 2.94 5.85 -0.36 -2.11 115.31 122.44 2bje h LEU 61 Ca 0.14 -0.23 -0.07 0.00 0.84 0.00 0.00 57.88 58.57 2bje h LEU 61 Cb 0.66 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 2bje h LEU 61 CO 0.05 0.99 -0.10 0.25 -0.34 0.00 0.00 178.44 179.29 2bje h LEU 62 N 1.02 0.48 -0.84 2.25 5.85 -0.67 0.61 115.31 124.01 2bje h LEU 62 Ca 0.22 -0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 2bje h LEU 62 Cb 0.35 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.21 2bje h LEU 62 CO -0.00 0.62 0.43 -0.33 -0.34 0.00 0.00 178.44 178.81 2bje h GLU 63 N 0.46 1.20 -0.59 1.25 5.08 -0.89 0.04 114.58 121.13 2bje h GLU 63 Ca 0.09 -0.16 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 2bje h GLU 63 Cb 0.45 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 2bje h GLU 63 CO 0.02 0.91 0.26 0.00 -1.00 0.00 0.00 179.01 179.20 2bje h ARG 64 N 1.19 0.86 -0.88 2.33 2.47 -0.69 -2.77 114.38 116.89 2bje h ARG 64 Ca 0.29 -0.14 -0.02 0.00 -1.26 0.00 0.00 59.98 58.85 2bje h ARG 64 Cb 0.09 -0.15 -0.04 0.00 -1.65 0.00 0.00 29.97 28.22 2bje h ARG 64 CO -0.04 0.72 0.48 0.82 0.56 0.00 0.00 179.97 182.51 2bje h ILE 65 N 0.81 1.26 0.00 2.04 2.04 -0.48 0.20 117.51 123.37 2bje h ILE 65 Ca 0.20 -0.65 0.00 0.00 1.00 0.00 0.00 64.86 65.41 2bje h ILE 65 Cb 0.16 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.31 2bje h ILE 65 CO -0.02 0.29 0.00 0.11 0.00 0.00 0.00 178.15 178.53 2bje h LYS 66 N 1.24 0.00 0.00 2.37 1.57 -0.78 -2.99 116.57 117.99 2bje h LYS 66 Ca 0.31 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.95 2bje h LYS 66 Cb 0.04 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 2bje h LYS 66 CO -0.05 0.00 -1.07 0.94 -0.57 0.00 0.00 179.45 178.70 2bje n GLN 67 N -2.52 0.52 0.00 3.15 7.27 0.32 -4.75 117.38 121.37 2bje n GLN 67 Ca -0.00 0.48 0.00 0.00 0.07 0.00 0.00 57.00 57.55 2bje n GLN 67 Cb 0.15 -1.66 0.00 0.00 2.41 0.00 0.00 30.24 31.14 2bje n GLN 67 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2bje n GLY 68 N 1.49 -2.06 3.78 1.69 0.00 0.43 -4.68 105.19 105.84 2bje n GLY 68 Ca -0.23 -1.50 -0.29 0.00 0.00 0.00 0.00 46.02 44.00 2bje n GLY 68 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2bje s PRO 69 N -2.51 1.37 0.39 1.61 0.04 -1.26 -4.93 135.00 129.71 2bje s PRO 69 Ca 0.00 0.42 0.12 0.00 0.04 0.00 0.00 61.00 61.58 2bje s PRO 69 Cb 0.00 -1.85 0.92 0.00 0.04 0.00 0.00 34.50 33.61 2bje s PRO 69 CO 0.00 -2.06 1.89 -1.35 0.04 0.00 0.00 177.00 175.51 2bje h PRO 70 N -1.41 0.55 -0.00 0.56 0.11 -1.93 -1.44 132.00 128.45 2bje h PRO 70 Ca -0.50 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.58 2bje h PRO 70 Cb 1.31 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2bje h PRO 70 CO 0.61 0.37 -0.19 0.00 -0.21 0.00 0.00 178.00 178.57 2bje n ALA 71 N -2.47 2.88 -2.34 -0.75 0.00 -1.26 -4.93 120.51 111.64 2bje n ALA 71 Ca 0.16 -0.26 -0.24 0.00 0.00 0.00 0.00 53.44 53.10 2bje n ALA 71 Cb 0.50 -1.30 0.01 0.00 0.00 0.00 0.00 19.45 18.66 2bje n ALA 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bje s ALA 72 N -2.72 3.68 -0.40 0.00 0.00 -0.54 -4.94 121.76 116.83 2bje s ALA 72 Ca 0.21 -0.96 0.01 0.00 0.00 0.00 0.00 51.96 51.22 2bje s ALA 72 Cb 0.19 -2.21 0.14 0.00 0.00 0.00 0.00 23.12 21.24 2bje s ALA 72 CO 0.55 -0.36 0.23 -2.00 0.00 0.00 0.00 175.76 174.17 2bje s GLU 73 N -4.58 0.91 -0.47 0.00 2.56 -0.59 -4.86 118.70 111.68 2bje s GLU 73 Ca 0.48 -1.67 -0.29 0.00 0.00 0.00 0.00 54.97 53.49 2bje s GLU 73 Cb -0.10 -1.81 0.03 0.00 2.00 0.00 0.00 34.13 34.25 2bje s GLU 73 CO 0.39 -1.19 1.16 0.08 -0.56 0.00 0.00 175.26 175.14 2bje s VAL 74 N 0.71 4.18 -0.14 3.70 1.01 -1.26 -1.13 120.40 127.46 2bje s VAL 74 Ca 0.18 1.21 0.17 0.00 0.00 0.00 0.00 61.98 63.53 2bje s VAL 74 Cb -0.23 -4.57 -0.24 0.00 0.00 0.00 0.00 36.38 31.34 2bje s VAL 74 CO 0.00 -0.98 0.29 -0.62 0.00 0.00 0.00 175.10 173.79 2bje n GLU 75 N 7.85 0.67 -3.67 2.72 1.02 0.17 -4.98 120.64 124.42 2bje n GLU 75 Ca 0.12 0.08 -0.09 0.00 -0.02 0.00 0.00 57.16 57.26 2bje n GLU 75 Cb 0.49 -1.61 -0.09 0.00 -0.02 0.00 0.00 31.44 30.21 2bje n GLU 75 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 2bje s LYS 76 N -2.58 0.55 -0.22 3.49 2.20 -1.14 -4.99 119.74 117.06 2bje s LYS 76 Ca -0.08 1.01 0.02 0.00 -0.36 0.00 0.00 55.97 56.56 2bje s LYS 76 Cb 0.07 0.06 0.04 0.00 -1.51 0.00 0.00 37.83 36.49 2bje s LYS 76 CO 0.83 -0.15 -0.13 0.08 -0.36 0.00 0.00 175.35 175.62 2bje s VAL 77 N 1.52 1.92 -0.27 4.02 1.01 -1.26 -0.19 120.40 127.15 2bje s VAL 77 Ca -0.10 -1.21 -0.10 0.00 0.00 0.00 0.00 61.98 60.58 2bje s VAL 77 Cb -0.07 -1.94 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 2bje s VAL 77 CO -0.16 0.19 0.16 -1.81 0.00 0.00 0.00 175.10 173.47 2bje s ASP 78 N 1.27 5.81 0.04 3.32 1.01 -0.68 -4.94 116.67 122.50 2bje s ASP 78 Ca -0.02 -0.05 -0.00 0.00 0.71 0.00 0.00 52.55 53.19 2bje s ASP 78 Cb -0.17 -2.07 -0.03 0.00 1.01 0.00 0.00 42.92 41.66 2bje s ASP 78 CO -0.08 -0.03 -0.03 -0.72 0.21 0.00 0.00 175.17 174.51 2bje s TYR 79 N 1.65 0.45 0.20 4.23 -0.85 -1.26 -0.80 117.35 120.97 2bje s TYR 79 Ca 0.07 -0.82 -0.02 0.00 -0.52 0.00 0.00 57.07 55.79 2bje s TYR 79 Cb -0.16 -0.32 -0.04 0.00 0.38 0.00 0.00 41.96 41.83 2bje s TYR 79 CO 0.09 -0.27 0.14 -1.54 -1.52 0.00 0.00 175.55 172.44 2bje s SER 80 N -2.28 0.15 0.15 -0.18 1.04 -0.21 -4.98 113.70 107.39 2bje s SER 80 Ca -0.03 -1.35 0.10 0.00 0.48 0.00 0.00 55.95 55.15 2bje s SER 80 Cb -0.00 0.38 -0.04 0.00 0.10 0.00 0.00 66.02 66.46 2bje s SER 80 CO -0.06 -0.85 -0.23 -0.36 0.98 0.00 0.00 173.24 172.73 2bje s PHE 81 N -4.15 2.08 0.00 5.02 0.08 -1.26 -0.94 117.98 118.81 2bje s PHE 81 Ca 0.37 -0.40 0.00 0.00 0.12 0.00 0.00 56.93 57.02 2bje s PHE 81 Cb 0.07 -1.08 0.00 0.00 -0.57 0.00 0.00 43.02 41.44 2bje s PHE 81 CO 0.11 0.36 0.00 -1.13 -0.10 0.00 0.00 175.22 174.46 2bje n SER 82 N 0.61 0.00 -4.77 1.36 3.41 0.14 -4.95 113.62 109.42 2bje n SER 82 Ca -0.16 -0.93 -0.37 0.00 -0.26 0.00 0.00 58.87 57.15 2bje n SER 82 Cb 0.55 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.49 2bje n SER 82 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2bje s GLU 83 N -1.80 3.81 0.20 4.33 2.02 -1.26 -1.02 118.70 124.97 2bje s GLU 83 Ca 0.00 1.82 -0.30 0.00 0.02 0.00 0.00 54.97 56.51 2bje s GLU 83 Cb 0.00 -2.47 -0.08 0.00 0.10 0.00 0.00 34.13 31.68 2bje s GLU 83 CO 0.00 -0.52 1.18 -0.47 0.02 0.00 0.00 175.26 175.46 2bje s TYR 84 N -1.50 3.45 0.00 1.61 5.04 -1.26 -4.04 117.35 120.66 2bje s TYR 84 Ca 0.62 1.47 0.00 0.00 -2.44 0.00 0.00 57.07 56.73 2bje s TYR 84 Cb -0.30 -3.40 0.00 0.00 0.35 0.00 0.00 41.96 38.61 2bje s TYR 84 CO 0.36 -1.08 0.00 1.63 -1.34 0.00 0.00 175.55 175.13 2bje n LYS 85 N 2.31 3.59 -3.22 4.97 4.76 -1.26 -4.95 118.16 124.36 2bje n LYS 85 Ca 0.03 0.00 -0.15 0.00 -2.87 0.00 0.00 58.31 55.33 2bje n LYS 85 Cb 0.45 -0.74 0.08 0.00 -1.84 0.00 0.00 35.03 32.97 2bje n LYS 85 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2bje n GLY 86 N 1.72 -0.33 0.04 0.72 0.00 -1.26 -4.93 105.19 101.14 2bje n GLY 86 Ca 0.00 0.08 0.11 0.00 0.00 0.00 0.00 46.02 46.21 2bje n GLY 86 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2bje n GLU 87 N -3.64 0.62 -4.71 1.61 2.13 -1.26 -4.96 120.64 110.43 2bje n GLU 87 Ca -0.23 -0.09 -0.31 0.00 0.66 0.00 0.00 57.16 57.19 2bje n GLU 87 Cb 0.64 -1.62 -0.13 0.00 0.27 0.00 0.00 31.44 30.61 2bje n GLU 87 CO 0.00 0.00 0.00 -0.06 -0.41 0.00 0.00 177.13 176.66 2bje s PHE 88 N -3.45 2.63 -0.46 4.31 0.40 -1.26 -5.00 117.98 115.15 2bje s PHE 88 Ca -0.05 -0.21 0.14 0.00 -0.60 0.00 0.00 56.93 56.21 2bje s PHE 88 Cb 0.13 -1.52 -0.17 0.00 0.51 0.00 0.00 43.02 41.96 2bje s PHE 88 CO 0.87 0.24 0.51 -1.91 0.70 0.00 0.00 175.22 175.63 2bje n GLU 89 N 1.77 1.76 -3.12 0.44 4.07 -1.26 -4.90 120.64 119.39 2bje n GLU 89 Ca -0.16 -0.04 -0.08 0.00 -0.06 0.00 0.00 57.16 56.81 2bje n GLU 89 Cb 0.52 -1.22 -0.00 0.00 -0.06 0.00 0.00 31.44 30.68 2bje n GLU 89 CO 0.00 0.00 0.00 -0.40 -0.06 0.00 0.00 177.13 176.67 2bje n ASP 90 N -1.54 -1.31 -4.56 4.31 5.68 -1.26 -5.04 116.55 112.83 2bje n ASP 90 Ca 0.01 -2.24 -0.37 0.00 -0.50 0.00 0.00 54.79 51.69 2bje n ASP 90 Cb 0.27 2.27 -0.11 0.00 -1.14 0.00 0.00 41.12 42.41 2bje n ASP 90 CO 0.00 0.00 0.00 0.12 -1.33 0.00 0.00 177.20 175.99 2bje s PHE 91 N -3.86 3.19 0.32 2.11 2.19 -1.26 -0.95 117.98 119.72 2bje s PHE 91 Ca 0.16 -0.04 0.10 0.00 0.33 0.00 0.00 56.93 57.48 2bje s PHE 91 Cb -0.02 -2.29 -0.05 0.00 -1.31 0.00 0.00 43.02 39.34 2bje s PHE 91 CO 0.12 -0.16 -0.04 -1.21 1.83 0.00 0.00 175.22 175.76 2bje s GLU 92 N 1.48 2.01 0.05 10.12 2.02 -0.38 -4.92 118.70 129.09 2bje s GLU 92 Ca 0.06 -1.72 0.09 0.00 0.02 0.00 0.00 54.97 53.42 2bje s GLU 92 Cb -0.15 -1.91 -0.03 0.00 0.10 0.00 0.00 34.13 32.14 2bje s GLU 92 CO 0.07 0.20 -0.24 0.95 0.02 0.00 0.00 175.26 176.26 2bje s THR 93 N -2.50 1.98 0.00 3.63 -4.23 -1.26 -1.88 115.64 111.37 2bje s THR 93 Ca 0.33 -1.35 0.00 0.00 -1.18 0.00 0.00 61.69 59.49 2bje s THR 93 Cb -0.02 -1.70 0.00 0.00 1.34 0.00 0.00 72.50 72.12 2bje s THR 93 CO 0.18 0.28 0.23 -1.22 -0.54 0.00 0.00 174.62 173.56