#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 4.25 0.00 -0.89 1.43 -1.26 -0.82 118.68 121.39 2bje s LEU 6 Ca 0.00 0.61 -0.04 0.00 -1.03 0.00 0.00 54.13 53.68 2bje s LEU 6 Cb 0.00 -3.35 0.02 0.00 0.03 0.00 0.00 46.19 42.89 2bje s LEU 6 CO 0.00 0.03 0.51 0.29 0.23 0.00 0.00 176.35 177.42 2bje n LYS 7 N 0.03 0.74 -4.39 1.70 5.02 -0.10 -4.50 118.16 116.65 2bje n LYS 7 Ca -0.02 -2.64 -0.28 0.00 -2.02 0.00 0.00 58.31 53.36 2bje n LYS 7 Cb 0.52 2.63 -0.12 0.00 -0.02 0.00 0.00 35.03 38.03 2bje n LYS 7 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2bje s ARG 8 N -2.68 1.43 0.01 1.97 3.52 -0.53 -2.31 118.95 120.36 2bje s ARG 8 Ca 0.26 -1.41 0.04 0.00 -0.13 0.00 0.00 55.73 54.49 2bje s ARG 8 Cb -0.01 -1.82 -0.01 0.00 -1.56 0.00 0.00 34.95 31.54 2bje s ARG 8 CO 0.19 0.41 -0.13 1.41 -0.81 0.00 0.00 175.30 176.37 2bje s MET 9 N -2.33 0.97 0.12 5.12 -2.45 0.81 0.15 119.30 121.70 2bje s MET 9 Ca 0.16 -0.58 0.06 0.00 -1.25 0.00 0.00 55.69 54.08 2bje s MET 9 Cb -0.09 -0.95 -0.04 0.00 1.25 0.00 0.00 34.83 35.00 2bje s MET 9 CO 0.07 0.25 -0.00 0.71 1.05 0.00 0.00 175.02 177.10 2bje s TYR 10 N -0.54 2.93 -0.10 4.11 1.51 0.71 -1.07 117.35 124.89 2bje s TYR 10 Ca 0.03 -0.07 -0.14 0.00 -1.01 0.00 0.00 57.07 55.87 2bje s TYR 10 Cb -0.06 -1.48 0.03 0.00 -0.11 0.00 0.00 41.96 40.35 2bje s TYR 10 CO 0.00 0.49 0.37 0.00 -1.11 0.00 0.00 175.55 175.30 2bje s ALA 11 N -1.44 -0.93 -0.09 3.71 0.00 -0.24 -1.71 121.76 121.06 2bje s ALA 11 Ca 0.26 0.85 0.02 0.00 0.00 0.00 0.00 51.96 53.10 2bje s ALA 11 Cb -0.11 -0.39 0.01 0.00 0.00 0.00 0.00 23.12 22.64 2bje s ALA 11 CO 0.18 -0.21 -0.15 0.50 0.00 0.00 0.00 175.76 176.08 2bje s ARG 12 N -0.32 2.14 -0.12 0.00 3.52 0.84 -0.09 118.95 124.92 2bje s ARG 12 Ca -0.05 -0.55 -0.01 0.00 -0.13 0.00 0.00 55.73 55.00 2bje s ARG 12 Cb -0.03 -1.77 -0.02 0.00 -1.56 0.00 0.00 34.95 31.56 2bje s ARG 12 CO 0.02 0.00 -0.08 0.08 -0.81 0.00 0.00 175.30 174.51 2bje s VAL 13 N 0.79 3.54 0.21 7.11 1.01 0.17 -0.50 120.40 132.72 2bje s VAL 13 Ca -0.11 -0.50 0.11 0.00 0.00 0.00 0.00 61.98 61.48 2bje s VAL 13 Cb -0.16 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.68 2bje s VAL 13 CO 0.02 0.54 -0.22 -0.31 0.00 0.00 0.00 175.10 175.13 2bje s TYR 14 N -0.04 2.34 -3.86 5.22 1.51 -0.00 -1.67 117.35 120.85 2bje s TYR 14 Ca -0.01 -0.34 0.00 0.00 -1.01 0.00 0.00 57.07 55.72 2bje s TYR 14 Cb -0.14 -1.13 0.00 0.00 -0.11 0.00 0.00 41.96 40.58 2bje s TYR 14 CO 0.03 0.54 0.00 0.41 -1.11 0.00 0.00 175.55 175.42 2bje n GLY 15 N 0.09 0.79 3.47 0.71 0.00 -1.26 -0.63 105.19 108.37 2bje n GLY 15 Ca -0.11 -1.88 -0.43 0.00 0.00 0.00 0.00 46.02 43.60 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 4.13 0.00 0.99 2.96 -0.30 -4.74 118.68 121.73 2bje s LEU 16 Ca 0.00 -0.90 0.00 0.00 -0.22 0.00 0.00 54.13 53.01 2bje s LEU 16 Cb 0.00 -2.45 0.00 0.00 0.50 0.00 0.00 46.19 44.24 2bje s LEU 16 CO 0.00 -1.52 0.06 1.33 -1.32 0.00 0.00 176.35 174.90 2bje n VAL 17 N 6.02 0.00 -3.85 1.68 0.24 -1.26 -1.12 118.33 120.04 2bje n VAL 17 Ca -0.02 -0.10 -0.35 0.00 -2.04 0.00 0.00 64.34 61.84 2bje n VAL 17 Cb 0.46 1.50 -0.05 0.00 -1.47 0.00 0.00 33.84 34.28 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 3.49 -0.02 7.34 -0.21 -1.26 -4.46 119.66 124.47 2bje s GLN 18 Ca 0.00 -0.17 0.00 0.00 0.02 0.00 0.00 55.36 55.21 2bje s GLN 18 Cb 0.00 -3.12 0.00 0.00 1.00 0.00 0.00 33.01 30.89 2bje s GLN 18 CO 0.00 0.70 0.00 0.41 -2.12 0.00 0.00 175.29 174.28 2bje n GLY 19 N 1.32 0.45 0.62 3.09 0.00 -1.26 -4.90 105.19 104.51 2bje n GLY 19 Ca -0.14 -0.05 0.05 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.88 0.99 -0.24 1.61 0.24 -1.26 -4.97 118.33 111.82 2bje n VAL 20 Ca -0.00 -1.54 0.00 0.00 -2.04 0.00 0.00 64.34 60.76 2bje n VAL 20 Cb 0.06 0.25 0.00 0.00 -1.47 0.00 0.00 33.84 32.68 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 -0.53 0.88 0.15 7.63 0.00 -1.26 -4.41 105.19 107.65 2bje n GLY 21 Ca 0.10 -0.02 -0.17 0.00 0.00 0.00 0.00 46.02 45.93 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 0.72 -0.09 1.61 3.04 -1.94 -0.28 116.94 119.99 2bje h PHE 22 Ca 0.00 -0.44 -0.08 0.00 3.98 0.00 0.00 57.97 61.43 2bje h PHE 22 Cb 0.00 -0.06 0.00 0.00 2.56 0.00 0.00 35.95 38.45 2bje h PHE 22 CO 0.00 1.29 -0.25 0.00 -2.02 0.00 0.00 178.31 177.33 2bje h ARG 23 N 0.21 0.33 -0.55 1.11 3.08 -1.93 -0.52 114.38 116.11 2bje h ARG 23 Ca -0.13 -0.23 0.01 0.00 0.07 0.00 0.00 59.98 59.70 2bje h ARG 23 Cb 1.77 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 31.83 2bje h ARG 23 CO 0.20 0.85 0.37 0.87 -1.07 0.00 0.00 179.97 181.18 2bje h LYS 24 N -0.13 0.70 -0.28 0.04 1.57 -1.97 0.16 116.57 116.66 2bje h LYS 24 Ca -0.00 -0.04 -0.17 0.00 -1.87 0.00 0.00 60.65 58.56 2bje h LYS 24 Cb 0.86 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.01 2bje h LYS 24 CO 0.05 0.46 -0.49 0.35 -0.57 0.00 0.00 179.45 179.25 2bje h PHE 25 N 0.72 1.04 -0.47 -1.35 3.57 -0.34 -0.80 116.94 119.30 2bje h PHE 25 Ca 0.21 -0.36 -0.11 0.00 3.53 0.00 0.00 57.97 61.24 2bje h PHE 25 Cb -0.04 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.49 2bje h PHE 25 CO -0.00 1.18 -0.12 0.28 -2.23 0.00 0.00 178.31 177.42 2bje h VAL 26 N 0.60 1.27 0.32 1.41 2.07 -0.87 -2.67 116.25 118.38 2bje h VAL 26 Ca 0.02 -1.25 -0.00 0.00 0.82 0.00 0.00 66.70 66.29 2bje h VAL 26 Cb 1.10 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.95 2bje h VAL 26 CO 0.11 0.43 -0.27 -0.61 0.02 0.00 0.00 177.57 177.25 2bje h GLN 27 N 0.76 -0.59 -0.50 1.57 4.15 -0.58 0.26 115.11 120.19 2bje h GLN 27 Ca 0.12 0.04 0.09 0.00 0.77 0.00 0.00 58.65 59.67 2bje h GLN 27 Cb 0.67 0.13 -0.08 0.00 0.21 0.00 0.00 27.48 28.41 2bje h GLN 27 CO 0.05 -0.39 0.04 0.82 -1.93 0.00 0.00 178.83 177.42 2bje h ILE 28 N -0.61 0.65 -0.25 2.39 2.04 -1.12 0.14 117.51 120.75 2bje h ILE 28 Ca -0.02 -0.06 -0.20 0.00 1.00 0.00 0.00 64.86 65.58 2bje h ILE 28 Cb 0.54 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 37.10 2bje h ILE 28 CO -0.03 0.03 -0.62 0.45 0.00 0.00 0.00 178.15 177.99 2bje h HIS 29 N 0.17 1.09 -0.51 1.37 3.86 -1.22 -1.62 115.15 118.28 2bje h HIS 29 Ca 0.25 -0.42 0.07 0.00 -1.16 0.00 0.00 60.37 59.11 2bje h HIS 29 Cb 0.37 -0.19 -0.06 0.00 1.06 0.00 0.00 27.41 28.59 2bje h HIS 29 CO -0.28 1.25 0.20 0.00 0.86 0.00 0.00 177.93 179.96 2bje h ALA 30 N 0.65 0.63 -0.50 2.45 0.00 -0.12 -1.95 119.26 120.43 2bje h ALA 30 Ca -0.01 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2bje h ALA 30 Cb 1.23 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 2bje h ALA 30 CO 0.13 -0.19 0.26 0.82 0.00 0.00 0.00 179.25 180.27 2bje h ILE 31 N 0.38 1.18 -0.25 0.00 2.04 -0.55 0.40 117.51 120.72 2bje h ILE 31 Ca 0.24 -0.49 0.07 0.00 1.00 0.00 0.00 64.86 65.69 2bje h ILE 31 Cb 0.25 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 2bje h ILE 31 CO -0.24 0.20 0.19 0.03 0.00 0.00 0.00 178.15 178.33 2bje h ARG 32 N 0.66 0.00 -0.52 2.37 3.08 -0.75 -1.77 114.38 117.45 2bje h ARG 32 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 2bje h ARG 32 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.13 2bje h ARG 32 CO -0.02 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.16 2bje n LEU 33 N -4.37 3.61 -0.94 3.04 4.77 -0.54 -4.93 117.00 117.63 2bje n LEU 33 Ca 0.03 -1.71 -0.10 0.00 -0.03 0.00 0.00 56.01 54.20 2bje n LEU 33 Cb 0.34 -0.34 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 2bje n LEU 33 CO 0.34 0.83 -0.11 0.61 -1.33 0.00 0.00 177.39 177.74 2bje n GLY 34 N 1.49 0.52 3.86 -0.72 0.00 -0.56 -4.90 105.19 104.88 2bje n GLY 34 Ca 0.21 -0.53 -0.34 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.43 4.98 0.24 -0.61 1.01 0.02 -4.84 121.20 119.58 2bje s ILE 35 Ca 0.00 0.55 0.12 0.00 0.00 0.00 0.00 60.65 61.32 2bje s ILE 35 Cb 0.00 -3.67 -0.05 0.00 0.01 0.00 0.00 42.46 38.75 2bje s ILE 35 CO 0.00 0.17 -0.22 -0.54 0.00 0.00 0.00 174.94 174.35 2bje s LYS 36 N -2.21 1.62 0.00 2.79 1.02 0.02 -4.43 119.74 118.54 2bje s LYS 36 Ca 0.39 -1.67 0.00 0.00 0.02 0.00 0.00 55.97 54.71 2bje s LYS 36 Cb -0.13 -1.80 0.00 0.00 -0.52 0.00 0.00 37.83 35.37 2bje s LYS 36 CO 0.20 0.36 0.00 0.41 -0.92 0.00 0.00 175.35 175.40 2bje n GLY 37 N -0.26 0.66 3.41 -3.33 0.00 0.00 0.63 105.19 106.31 2bje n GLY 37 Ca -0.08 -1.54 -0.11 0.00 0.00 0.00 0.00 46.02 44.29 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 -4.00 -0.39 -0.04 1.61 -0.85 0.11 -1.56 117.35 112.23 2bje s TYR 38 Ca 0.00 0.12 0.04 0.00 -0.52 0.00 0.00 57.07 56.72 2bje s TYR 38 Cb 0.00 0.46 -0.00 0.00 0.38 0.00 0.00 41.96 42.79 2bje s TYR 38 CO 0.00 -0.82 -0.17 0.00 -1.52 0.00 0.00 175.55 173.04 2bje s ALA 39 N -3.78 1.46 -0.03 9.51 0.00 -0.50 -0.77 121.76 127.65 2bje s ALA 39 Ca 0.03 -0.67 0.01 0.00 0.00 0.00 0.00 51.96 51.32 2bje s ALA 39 Cb -0.00 -0.46 0.02 0.00 0.00 0.00 0.00 23.12 22.67 2bje s ALA 39 CO -0.11 0.28 -0.03 0.21 0.00 0.00 0.00 175.76 176.11 2bje s LYS 40 N -0.04 0.56 0.23 0.00 2.20 0.50 -0.65 119.74 122.54 2bje s LYS 40 Ca -0.02 -0.08 -0.30 0.00 -0.36 0.00 0.00 55.97 55.22 2bje s LYS 40 Cb -0.10 -0.61 -0.09 0.00 -1.51 0.00 0.00 37.83 35.51 2bje s LYS 40 CO 0.01 -0.04 1.31 -0.80 -0.36 0.00 0.00 175.35 175.47 2bje s ASN 41 N 0.65 6.87 0.14 1.43 0.02 -0.71 -1.13 114.94 122.21 2bje s ASN 41 Ca -0.08 2.47 0.07 0.00 -1.02 0.00 0.00 52.86 54.30 2bje s ASN 41 Cb -0.11 -2.62 -0.04 0.00 0.02 0.00 0.00 41.25 38.50 2bje s ASN 41 CO -0.00 -0.52 -0.02 -0.76 0.02 0.00 0.00 177.10 175.81 2bje s LEU 42 N -0.51 3.30 0.60 0.60 1.43 -0.35 -4.93 118.68 118.82 2bje s LEU 42 Ca 0.55 -0.34 0.36 0.00 -1.03 0.00 0.00 54.13 53.67 2bje s LEU 42 Cb -0.37 -2.00 1.93 0.00 0.03 0.00 0.00 46.19 45.78 2bje s LEU 42 CO 0.41 0.13 2.22 -0.65 0.23 0.00 0.00 176.35 178.70 2bje h PRO 43 N 3.08 0.00 0.00 1.29 0.11 -1.97 -1.04 132.00 133.47 2bje h PRO 43 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2bje h PRO 43 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2bje h PRO 43 CO 0.57 0.03 0.00 -0.40 -0.21 0.00 0.00 178.00 177.99 2bje n ASP 44 N -3.36 0.00 0.00 -2.05 5.75 -1.26 -4.87 116.55 110.76 2bje n ASP 44 Ca -0.02 -0.26 0.00 0.00 -0.01 0.00 0.00 54.79 54.50 2bje n ASP 44 Cb 0.15 -0.22 0.00 0.00 -1.03 0.00 0.00 41.12 40.02 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 0.82 0.59 3.75 6.12 0.00 -0.39 -5.09 105.19 110.98 2bje n GLY 45 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.87 2.88 0.02 1.61 1.04 -1.26 -4.18 113.70 111.95 2bje s SER 46 Ca 0.00 0.90 0.06 0.00 0.48 0.00 0.00 55.95 57.39 2bje s SER 46 Cb 0.00 -1.41 -0.02 0.00 0.10 0.00 0.00 66.02 64.69 2bje s SER 46 CO 0.00 -2.94 -0.18 -0.69 0.98 0.00 0.00 173.24 170.41 2bje s VAL 47 N -3.22 1.46 -0.10 5.02 1.01 -0.67 -1.21 120.40 122.69 2bje s VAL 47 Ca 0.66 -0.98 0.01 0.00 0.00 0.00 0.00 61.98 61.68 2bje s VAL 47 Cb -0.14 -1.26 -0.02 0.00 0.00 0.00 0.00 36.38 34.97 2bje s VAL 47 CO 0.55 0.26 -0.15 -0.70 0.00 0.00 0.00 175.10 175.05 2bje s GLU 48 N -0.84 3.11 -0.10 2.72 2.12 -0.28 -0.65 118.70 124.77 2bje s GLU 48 Ca 0.06 -0.71 0.03 0.00 0.36 0.00 0.00 54.97 54.71 2bje s GLU 48 Cb -0.08 -2.52 -0.00 0.00 0.26 0.00 0.00 34.13 31.78 2bje s GLU 48 CO 0.01 0.32 -0.22 0.08 -0.54 0.00 0.00 175.26 174.91 2bje s VAL 49 N 0.07 2.28 -0.11 3.70 1.01 0.87 -0.37 120.40 127.84 2bje s VAL 49 Ca -0.06 -0.95 0.03 0.00 0.00 0.00 0.00 61.98 61.00 2bje s VAL 49 Cb -0.15 -1.88 0.01 0.00 0.00 0.00 0.00 36.38 34.36 2bje s VAL 49 CO 0.05 0.56 -0.22 -0.69 0.00 0.00 0.00 175.10 174.79 2bje s VAL 50 N 0.25 1.95 -0.01 2.92 1.01 0.05 -1.08 120.40 125.50 2bje s VAL 50 Ca -0.15 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 60.91 2bje s VAL 50 Cb -0.17 -1.71 0.00 0.00 0.00 0.00 0.00 36.38 34.50 2bje s VAL 50 CO 0.07 0.53 -0.04 0.00 0.00 0.00 0.00 175.10 175.67 2bje s ALA 51 N 0.59 0.37 -0.04 5.51 0.00 -0.24 -0.72 121.76 127.23 2bje s ALA 51 Ca -0.13 -0.15 0.03 0.00 0.00 0.00 0.00 51.96 51.70 2bje s ALA 51 Cb -0.17 -0.12 0.01 0.00 0.00 0.00 0.00 23.12 22.84 2bje s ALA 51 CO 0.04 0.07 -0.12 -1.21 0.00 0.00 0.00 175.76 174.54 2bje s GLU 52 N 0.03 1.42 0.00 0.00 2.02 0.21 -0.13 118.70 122.24 2bje s GLU 52 Ca 0.00 -0.41 0.00 0.00 0.02 0.00 0.00 54.97 54.58 2bje s GLU 52 Cb -0.03 -1.24 0.00 0.00 0.10 0.00 0.00 34.13 32.96 2bje s GLU 52 CO -0.00 0.11 0.00 0.41 0.02 0.00 0.00 175.26 175.80 2bje n GLY 53 N 3.46 -0.57 3.83 -1.39 0.00 -0.98 -0.80 105.19 108.73 2bje n GLY 53 Ca -0.20 -0.71 -0.33 0.00 0.00 0.00 0.00 46.02 44.78 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 -3.64 3.34 0.19 1.61 4.12 -1.26 -0.92 117.35 120.79 2bje s TYR 54 Ca 0.00 1.54 -0.11 0.00 0.02 0.00 0.00 57.07 58.52 2bje s TYR 54 Cb 0.00 -2.84 0.11 0.00 -1.52 0.00 0.00 41.96 37.71 2bje s TYR 54 CO 0.00 -0.29 1.81 1.49 0.02 0.00 0.00 175.55 178.58 2bje h GLU 55 N 1.42 0.92 -0.17 -0.62 4.81 -1.32 -0.87 114.58 118.74 2bje h GLU 55 Ca -0.48 -0.10 -0.02 0.00 -0.13 0.00 0.00 59.36 58.62 2bje h GLU 55 Cb 1.19 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.38 2bje h GLU 55 CO 0.61 0.68 0.01 0.93 -0.73 0.00 0.00 179.01 180.52 2bje h GLU 56 N 0.91 0.30 -0.84 1.92 5.08 -1.91 -1.17 114.58 118.87 2bje h GLU 56 Ca 0.23 -0.09 0.07 0.00 -1.00 0.00 0.00 59.36 58.57 2bje h GLU 56 Cb 0.02 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.18 2bje h GLU 56 CO -0.04 0.49 0.51 0.00 -1.00 0.00 0.00 179.01 178.97 2bje h ALA 57 N 0.79 1.16 -0.58 3.43 0.00 -1.79 0.72 119.26 123.00 2bje h ALA 57 Ca 0.05 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 2bje h ALA 57 Cb 0.35 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 2bje h ALA 57 CO 0.01 0.22 0.24 -0.07 0.00 0.00 0.00 179.25 179.65 2bje h LEU 58 N 0.91 0.79 -0.70 0.00 3.38 -0.73 0.16 115.31 119.12 2bje h LEU 58 Ca 0.38 -0.16 -0.08 0.00 0.09 0.00 0.00 57.88 58.11 2bje h LEU 58 Cb 0.22 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 2bje h LEU 58 CO -0.19 0.74 0.14 0.28 0.09 0.00 0.00 178.44 179.50 2bje h SER 59 N 0.79 1.08 -0.71 -0.43 0.02 -0.89 0.27 113.55 113.69 2bje h SER 59 Ca 0.19 -0.25 0.01 0.00 -0.84 0.00 0.00 61.79 60.90 2bje h SER 59 Cb 0.19 -0.29 -0.03 0.00 0.14 0.00 0.00 62.40 62.41 2bje h SER 59 CO -0.02 1.05 0.46 0.11 -1.14 0.00 0.00 176.83 177.30 2bje h LYS 60 N 1.07 0.93 -0.52 3.45 1.57 -0.34 -2.37 116.57 120.37 2bje h LYS 60 Ca 0.22 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.88 2bje h LYS 60 Cb 0.41 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 2bje h LYS 60 CO 0.01 0.62 0.11 1.25 -0.57 0.00 0.00 179.45 180.87 2bje h LEU 61 N 0.96 0.75 -1.06 2.94 5.85 -0.12 -2.45 115.31 122.18 2bje h LEU 61 Ca 0.26 -0.14 0.07 0.00 0.84 0.00 0.00 57.88 58.91 2bje h LEU 61 Cb -0.10 -0.20 -0.07 0.00 0.37 0.00 0.00 40.66 40.66 2bje h LEU 61 CO -0.06 0.75 0.63 0.25 -0.34 0.00 0.00 178.44 179.67 2bje h LEU 62 N 0.77 0.97 -1.19 2.25 5.85 -0.26 0.47 115.31 124.17 2bje h LEU 62 Ca 0.17 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.90 2bje h LEU 62 Cb 0.31 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 2bje h LEU 62 CO 0.00 0.61 0.45 -0.33 -0.34 0.00 0.00 178.44 178.83 2bje h GLU 63 N 1.10 1.00 -0.03 1.25 4.39 -0.97 -1.02 114.58 120.30 2bje h GLU 63 Ca 0.43 -0.08 -0.24 0.00 0.34 0.00 0.00 59.36 59.80 2bje h GLU 63 Cb 0.23 -0.21 0.01 0.00 -0.10 0.00 0.00 28.75 28.67 2bje h GLU 63 CO -0.17 0.70 -0.93 0.00 -1.16 0.00 0.00 179.01 177.45 2bje h ARG 64 N 1.02 0.58 -0.92 2.33 2.47 -0.75 -1.28 114.38 117.83 2bje h ARG 64 Ca 0.27 -0.58 0.02 0.00 -1.26 0.00 0.00 59.98 58.43 2bje h ARG 64 Cb -0.04 0.15 -0.05 0.00 -1.65 0.00 0.00 29.97 28.38 2bje h ARG 64 CO -0.05 1.20 0.61 0.82 0.56 0.00 0.00 179.97 183.11 2bje h ILE 65 N 0.35 1.20 0.00 2.04 2.04 -0.76 0.21 117.51 122.58 2bje h ILE 65 Ca -0.09 -0.41 -0.14 0.00 1.00 0.00 0.00 64.86 65.22 2bje h ILE 65 Cb 1.56 -0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 2bje h ILE 65 CO 0.17 0.22 -0.65 0.11 0.00 0.00 0.00 178.15 178.00 2bje h LYS 66 N 1.20 0.00 0.02 2.37 1.57 -0.89 -3.24 116.57 117.60 2bje h LYS 66 Ca 0.35 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.13 2bje h LYS 66 Cb -0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.25 2bje h LYS 66 CO -0.09 0.65 -0.01 0.37 -0.57 0.00 0.00 179.45 179.80 2bje h GLN 67 N 0.00 -0.02 -0.51 3.15 4.15 -0.37 -3.45 115.11 118.06 2bje h GLN 67 Ca -0.01 0.00 0.06 0.00 0.77 0.00 0.00 58.65 59.47 2bje h GLN 67 Cb 1.22 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.89 2bje h GLN 67 CO 0.08 0.73 -0.13 0.41 -1.93 0.00 0.00 178.83 177.99 2bje n GLY 68 N 1.28 -2.02 3.86 2.39 0.00 0.65 -4.74 105.19 106.62 2bje n GLY 68 Ca -0.09 -1.44 -0.31 0.00 0.00 0.00 0.00 46.02 44.18 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 -2.15 3.58 0.51 1.61 0.04 -1.26 -4.91 135.00 132.42 2bje s PRO 69 Ca 0.00 0.81 0.28 0.00 0.04 0.00 0.00 61.00 62.13 2bje s PRO 69 Cb 0.00 -2.08 1.38 0.00 0.04 0.00 0.00 34.50 33.84 2bje s PRO 69 CO 0.00 -0.58 1.89 -1.35 0.04 0.00 0.00 177.00 176.99 2bje h PRO 70 N -0.15 0.10 0.00 0.56 0.11 -1.90 -0.33 132.00 130.39 2bje h PRO 70 Ca -0.44 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 2bje h PRO 70 Cb 1.19 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 2bje h PRO 70 CO 0.61 0.07 -0.38 0.00 -0.21 0.00 0.00 178.00 178.09 2bje h ALA 71 N 1.58 0.82 -2.32 -0.75 0.00 -1.91 -3.46 119.26 113.21 2bje h ALA 71 Ca 0.43 -0.04 -0.51 0.00 0.00 0.00 0.00 54.91 54.78 2bje h ALA 71 Cb 1.54 0.00 0.12 0.00 0.00 0.00 0.00 17.79 19.45 2bje h ALA 71 CO -0.05 0.06 0.34 0.00 0.00 0.00 0.00 179.25 179.59 2bje s ALA 72 N -3.24 2.41 -0.36 0.00 0.00 -0.13 -4.99 121.76 115.45 2bje s ALA 72 Ca 0.04 0.19 0.01 0.00 0.00 0.00 0.00 51.96 52.21 2bje s ALA 72 Cb 0.07 -3.23 0.11 0.00 0.00 0.00 0.00 23.12 20.06 2bje s ALA 72 CO 0.72 -1.57 0.14 -2.00 0.00 0.00 0.00 175.76 173.05 2bje s GLU 73 N -4.96 1.06 -0.35 0.00 2.12 -0.28 -4.86 118.70 111.43 2bje s GLU 73 Ca 0.60 -1.55 -0.24 0.00 0.36 0.00 0.00 54.97 54.14 2bje s GLU 73 Cb -0.16 -2.35 0.01 0.00 0.26 0.00 0.00 34.13 31.89 2bje s GLU 73 CO 0.56 -1.04 0.84 0.08 -0.54 0.00 0.00 175.26 175.16 2bje s VAL 74 N 1.04 4.69 -0.14 3.70 1.01 -1.26 -1.15 120.40 128.29 2bje s VAL 74 Ca 0.13 1.08 0.15 0.00 0.00 0.00 0.00 61.98 63.34 2bje s VAL 74 Cb -0.20 -4.24 -0.24 0.00 0.00 0.00 0.00 36.38 31.70 2bje s VAL 74 CO -0.13 -0.42 0.28 -0.62 0.00 0.00 0.00 175.10 174.20 2bje n GLU 75 N 6.49 0.67 -3.64 2.72 1.02 0.20 -4.99 120.64 123.12 2bje n GLU 75 Ca 0.05 0.11 -0.11 0.00 -0.02 0.00 0.00 57.16 57.19 2bje n GLU 75 Cb 0.48 -1.62 -0.07 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 -2.53 0.78 -0.13 3.49 2.20 -1.12 -4.99 119.74 117.44 2bje s LYS 76 Ca -0.09 1.07 -0.00 0.00 -0.36 0.00 0.00 55.97 56.59 2bje s LYS 76 Cb 0.07 0.30 0.03 0.00 -1.51 0.00 0.00 37.83 36.72 2bje s LYS 76 CO 0.82 -0.12 -0.09 0.08 -0.36 0.00 0.00 175.35 175.68 2bje s VAL 77 N 0.85 1.19 -0.21 4.02 1.01 -1.26 -0.82 120.40 125.18 2bje s VAL 77 Ca -0.04 -0.41 -0.09 0.00 0.00 0.00 0.00 61.98 61.44 2bje s VAL 77 Cb -0.05 -1.19 -0.04 0.00 0.00 0.00 0.00 36.38 35.10 2bje s VAL 77 CO -0.07 0.38 0.10 -1.81 0.00 0.00 0.00 175.10 173.70 2bje s ASP 78 N 1.64 5.77 0.06 3.32 1.01 0.34 -4.93 116.67 123.88 2bje s ASP 78 Ca 0.05 0.07 -0.04 0.00 0.71 0.00 0.00 52.55 53.34 2bje s ASP 78 Cb -0.13 -2.01 -0.03 0.00 1.01 0.00 0.00 42.92 41.76 2bje s ASP 78 CO -0.09 0.12 0.04 -0.72 0.21 0.00 0.00 175.17 174.73 2bje s TYR 79 N 0.72 0.38 0.07 4.23 -0.85 -1.26 -0.11 117.35 120.52 2bje s TYR 79 Ca 0.05 -0.87 -0.21 0.00 -0.52 0.00 0.00 57.07 55.52 2bje s TYR 79 Cb -0.13 -0.27 0.05 0.00 0.38 0.00 0.00 41.96 41.99 2bje s TYR 79 CO 0.02 -0.42 0.51 -1.54 -1.52 0.00 0.00 175.55 172.59 2bje s SER 80 N -2.80 -0.42 0.06 -0.18 1.04 -0.69 -5.00 113.70 105.71 2bje s SER 80 Ca 0.05 0.08 0.06 0.00 0.48 0.00 0.00 55.95 56.62 2bje s SER 80 Cb 0.06 0.50 -0.04 0.00 0.10 0.00 0.00 66.02 66.64 2bje s SER 80 CO -0.10 -0.77 -0.10 -0.36 0.98 0.00 0.00 173.24 172.90 2bje s PHE 81 N -2.79 2.75 0.24 5.02 0.08 -1.26 -0.21 117.98 121.81 2bje s PHE 81 Ca -0.03 -0.14 -0.04 0.00 0.12 0.00 0.00 56.93 56.83 2bje s PHE 81 Cb -0.00 -1.49 -0.02 0.00 -0.57 0.00 0.00 43.02 40.93 2bje s PHE 81 CO -0.04 0.38 0.28 -1.54 -0.10 0.00 0.00 175.22 174.19 2bje s SER 82 N -1.84 0.24 0.30 1.36 1.04 0.12 -4.97 113.70 109.95 2bje s SER 82 Ca 0.19 -1.28 -0.28 0.00 0.48 0.00 0.00 55.95 55.06 2bje s SER 82 Cb -0.11 0.48 -0.14 0.00 0.10 0.00 0.00 66.02 66.36 2bje s SER 82 CO 0.10 -0.99 1.11 -0.62 0.98 0.00 0.00 173.24 173.83 2bje n GLU 83 N -0.35 1.60 -2.05 4.02 1.02 -1.26 -1.45 120.64 122.16 2bje n GLU 83 Ca 0.01 0.56 -0.41 0.00 -0.02 0.00 0.00 57.16 57.30 2bje n GLU 83 Cb 0.64 -2.01 -0.02 0.00 -0.02 0.00 0.00 31.44 30.04 2bje n GLU 83 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 2bje s TYR 84 N -1.01 2.98 -0.25 -0.32 5.04 -1.26 -4.15 117.35 118.38 2bje s TYR 84 Ca 0.58 1.28 0.06 0.00 -2.44 0.00 0.00 57.07 56.55 2bje s TYR 84 Cb -0.66 -3.76 -0.07 0.00 0.35 0.00 0.00 41.96 37.81 2bje s TYR 84 CO 0.60 -2.22 0.24 1.63 -1.34 0.00 0.00 175.55 174.46 2bje n LYS 85 N 1.16 4.38 -3.71 4.97 5.02 -1.26 -4.97 118.16 123.76 2bje n LYS 85 Ca 0.02 -0.01 -0.26 0.00 -2.02 0.00 0.00 58.31 56.04 2bje n LYS 85 Cb 0.41 -0.83 0.06 0.00 -0.02 0.00 0.00 35.03 34.65 2bje n LYS 85 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2bje n GLY 86 N 1.27 -0.52 0.07 0.72 0.00 -1.26 -4.90 105.19 100.58 2bje n GLY 86 Ca 0.01 0.23 -0.11 0.00 0.00 0.00 0.00 46.02 46.15 2bje n GLY 86 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2bje h GLU 87 N -2.46 0.12 -6.23 1.61 4.81 -1.99 -3.47 114.58 106.97 2bje h GLU 87 Ca -0.57 -0.01 -0.64 0.00 -0.13 0.00 0.00 59.36 58.01 2bje h GLU 87 Cb 1.37 -0.03 -0.10 0.00 0.63 0.00 0.00 28.75 30.63 2bje h GLU 87 CO 0.60 0.13 -0.62 -0.06 -0.73 0.00 0.00 179.01 178.33 2bje s PHE 88 N -5.99 3.13 -0.13 0.92 0.40 -1.26 -5.02 117.98 110.03 2bje s PHE 88 Ca -0.13 0.04 0.16 0.00 -0.60 0.00 0.00 56.93 56.40 2bje s PHE 88 Cb 0.07 -1.59 -0.24 0.00 0.51 0.00 0.00 43.02 41.78 2bje s PHE 88 CO 0.68 0.51 0.39 0.39 0.70 0.00 0.00 175.22 177.88 2bje n GLU 89 N 0.42 0.66 -1.72 0.44 1.02 -1.26 -4.84 120.64 115.35 2bje n GLU 89 Ca -0.09 0.12 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 2bje n GLU 89 Cb 0.52 -1.65 0.00 0.00 -0.02 0.00 0.00 31.44 30.29 2bje n GLU 89 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2bje n ASP 90 N -2.85 0.00 -4.14 1.62 2.03 -1.26 -4.98 116.55 106.97 2bje n ASP 90 Ca -0.23 -0.93 -0.34 0.00 0.52 0.00 0.00 54.79 53.80 2bje n ASP 90 Cb 1.06 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 41.32 2bje n ASP 90 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 2bje s PHE 91 N -2.99 3.24 0.38 -0.67 2.19 -1.26 -0.82 117.98 118.05 2bje s PHE 91 Ca 0.00 -2.01 0.07 0.00 0.33 0.00 0.00 56.93 55.32 2bje s PHE 91 Cb 0.00 -2.04 -0.01 0.00 -1.31 0.00 0.00 43.02 39.67 2bje s PHE 91 CO 0.00 -0.83 0.47 -1.21 1.83 0.00 0.00 175.22 175.49 2bje s GLU 92 N 1.20 2.88 -0.04 10.12 0.41 -0.60 -4.94 118.70 127.74 2bje s GLU 92 Ca -0.06 -1.20 0.06 0.00 -0.41 0.00 0.00 54.97 53.36 2bje s GLU 92 Cb -0.19 -2.70 -0.01 0.00 -1.78 0.00 0.00 34.13 29.45 2bje s GLU 92 CO -0.03 -0.09 -0.21 0.95 -0.49 0.00 0.00 175.26 175.39 2bje s THR 93 N -2.30 1.71 0.00 3.63 -4.23 -1.26 -1.41 115.64 111.79 2bje s THR 93 Ca 0.49 -0.90 0.00 0.00 -1.18 0.00 0.00 61.69 60.10 2bje s THR 93 Cb -0.08 -1.44 0.00 0.00 1.34 0.00 0.00 72.50 72.31 2bje s THR 93 CO 0.31 0.48 0.36 -1.22 -0.54 0.00 0.00 174.62 174.01