#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lba n LYS 6 N 0.00 0.76 -3.95 0.00 2.85 -1.26 -5.15 118.16 111.41 1lba n LYS 6 Ca 0.00 -2.08 -0.26 0.00 -1.05 0.00 0.00 58.31 54.92 1lba n LYS 6 Cb 0.00 2.27 -0.03 0.00 -0.65 0.00 0.00 35.03 36.62 1lba n LYS 6 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 1lba s GLN 7 N -2.37 3.44 0.69 -1.58 -0.21 -1.26 -3.28 119.66 115.09 1lba s GLN 7 Ca 0.19 -0.61 -0.14 0.00 0.02 0.00 0.00 55.36 54.81 1lba s GLN 7 Cb -0.02 -2.96 0.01 0.00 1.00 0.00 0.00 33.01 31.04 1lba s GLN 7 CO 0.14 0.51 1.11 1.03 -2.12 0.00 0.00 175.29 175.96 1lba s ARG 8 N -3.29 2.64 -0.12 2.91 0.52 -0.19 -4.79 118.95 116.63 1lba s ARG 8 Ca 0.34 1.35 -0.16 0.00 -0.52 0.00 0.00 55.73 56.74 1lba s ARG 8 Cb -0.11 -1.93 -0.14 0.00 0.52 0.00 0.00 34.95 33.28 1lba s ARG 8 CO 0.29 -1.37 0.44 1.05 0.02 0.00 0.00 175.30 175.73 1lba h GLU 9 N -0.26 -0.00 -5.11 3.54 9.09 -1.92 -3.49 114.58 116.43 1lba h GLU 9 Ca -0.46 0.00 -0.62 0.00 0.05 0.00 0.00 59.36 58.33 1lba h GLU 9 Cb 1.24 0.00 -0.13 0.00 -1.65 0.00 0.00 28.75 28.21 1lba h GLU 9 CO 0.53 0.55 -0.51 -1.54 0.05 0.00 0.00 179.01 178.09 1lba s SER 10 N -5.91 3.40 -0.39 3.06 1.04 -1.26 -5.11 113.70 108.53 1lba s SER 10 Ca -0.11 -1.68 0.01 0.00 0.48 0.00 0.00 55.95 54.66 1lba s SER 10 Cb -0.02 0.53 0.14 0.00 0.10 0.00 0.00 66.02 66.78 1lba s SER 10 CO 0.39 -0.91 0.24 -0.89 0.98 0.00 0.00 173.24 173.05 1lba s THR 11 N -3.06 0.49 -0.11 2.02 2.01 -1.26 -4.23 115.64 111.50 1lba s THR 11 Ca 0.15 -2.09 0.17 0.00 0.31 0.00 0.00 61.69 60.23 1lba s THR 11 Cb 0.02 -1.36 0.11 0.00 0.01 0.00 0.00 72.50 71.28 1lba s THR 11 CO 0.09 -1.01 1.53 0.44 -0.69 0.00 0.00 174.62 174.99 1lba h ASP 12 N 6.70 0.00 -5.12 3.53 5.19 -1.37 -3.36 116.42 121.99 1lba h ASP 12 Ca 0.08 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.42 1lba h ASP 12 Cb 0.95 0.00 -0.13 0.00 0.18 0.00 0.00 39.33 40.32 1lba h ASP 12 CO 0.33 0.42 -0.22 0.00 -3.12 0.00 0.00 179.24 176.65 1lba s ALA 13 N -3.13 -0.56 -0.19 3.45 0.00 -1.17 -0.95 121.76 119.21 1lba s ALA 13 Ca 0.03 -0.36 0.01 0.00 0.00 0.00 0.00 51.96 51.65 1lba s ALA 13 Cb 0.08 0.60 0.03 0.00 0.00 0.00 0.00 23.12 23.83 1lba s ALA 13 CO 0.72 -0.58 -0.16 0.42 0.00 0.00 0.00 175.76 176.15 1lba s ILE 14 N -3.84 1.94 -0.02 0.00 1.09 -0.24 -1.32 121.20 118.81 1lba s ILE 14 Ca 0.05 -1.01 -0.08 0.00 -1.10 0.00 0.00 60.65 58.51 1lba s ILE 14 Cb 0.03 -1.84 -0.05 0.00 -1.06 0.00 0.00 42.46 39.54 1lba s ILE 14 CO -0.11 0.39 0.26 -0.36 -0.10 0.00 0.00 174.94 175.02 1lba s PHE 15 N 1.31 3.60 -0.07 3.97 0.40 0.53 -0.42 117.98 127.30 1lba s PHE 15 Ca 0.02 0.61 0.02 0.00 -0.60 0.00 0.00 56.93 56.98 1lba s PHE 15 Cb -0.14 -2.01 -0.03 0.00 0.51 0.00 0.00 43.02 41.35 1lba s PHE 15 CO -0.11 0.64 -0.11 0.08 0.70 0.00 0.00 175.22 176.43 1lba s VAL 16 N -1.21 3.33 0.22 -0.44 1.01 0.52 -0.69 120.40 123.14 1lba s VAL 16 Ca 0.24 -0.61 0.02 0.00 0.00 0.00 0.00 61.98 61.63 1lba s VAL 16 Cb -0.13 -2.35 -0.05 0.00 0.00 0.00 0.00 36.38 33.85 1lba s VAL 16 CO 0.13 0.58 0.05 -1.00 0.00 0.00 0.00 175.10 174.86 1lba s HIS 17 N -0.52 1.39 0.24 5.22 3.76 0.49 -2.47 115.29 123.40 1lba s HIS 17 Ca 0.07 -1.10 0.11 0.00 -0.15 0.00 0.00 55.06 54.00 1lba s HIS 17 Cb -0.12 -0.80 -0.05 0.00 1.11 0.00 0.00 32.58 32.72 1lba s HIS 17 CO 0.02 -0.27 -0.18 0.00 -0.85 0.00 0.00 174.74 173.46 1lba n SER 19 N -0.28 0.30 -3.71 0.00 3.41 -0.08 -4.81 113.62 108.45 1lba n SER 19 Ca -0.08 -0.98 -0.23 0.00 -0.26 0.00 0.00 58.87 57.31 1lba n SER 19 Cb 0.58 -0.03 0.04 0.00 -0.26 0.00 0.00 64.21 64.54 1lba n SER 19 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1lba n ALA 20 N -0.81 -1.79 -2.55 7.33 0.00 -0.53 -4.88 120.51 117.28 1lba n ALA 20 Ca 0.22 -0.02 -0.24 0.00 0.00 0.00 0.00 53.44 53.39 1lba n ALA 20 Cb 0.18 -2.88 -0.08 0.00 0.00 0.00 0.00 19.45 16.66 1lba n ALA 20 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1lba s THR 21 N -3.52 2.84 0.57 0.00 -4.23 -1.05 -4.69 115.64 105.56 1lba s THR 21 Ca 0.20 -2.06 -0.13 0.00 -1.18 0.00 0.00 61.69 58.53 1lba s THR 21 Cb -0.10 -2.70 -0.06 0.00 1.34 0.00 0.00 72.50 70.99 1lba s THR 21 CO 0.80 -0.30 0.99 -0.54 -0.54 0.00 0.00 174.62 175.04 1lba s LYS 22 N -3.66 3.75 0.20 3.99 1.02 -1.25 -1.83 119.74 121.96 1lba s LYS 22 Ca 0.33 0.80 -0.05 0.00 0.02 0.00 0.00 55.97 57.07 1lba s LYS 22 Cb -0.03 -2.12 0.34 0.00 -0.52 0.00 0.00 37.83 35.50 1lba s LYS 22 CO 0.18 -0.42 1.12 -2.30 -0.92 0.00 0.00 175.35 173.01 1lba n PRO 23 N -2.21 -0.06 0.03 -1.68 -0.01 -1.26 -0.52 135.00 129.29 1lba n PRO 23 Ca 0.06 1.11 0.09 0.00 -0.01 0.00 0.00 63.50 64.75 1lba n PRO 23 Cb 0.54 -1.67 0.37 0.00 -0.01 0.00 0.00 33.50 32.73 1lba n PRO 23 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 175.50 174.36 1lba n SER 24 N -5.16 0.18 -4.48 2.55 3.41 -1.26 -4.30 113.62 104.56 1lba n SER 24 Ca 0.12 0.54 -0.43 0.00 -0.26 0.00 0.00 58.87 58.84 1lba n SER 24 Cb 0.37 -0.58 -0.02 0.00 -0.26 0.00 0.00 64.21 63.72 1lba n SER 24 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1lba s GLN 25 N -3.08 3.74 -1.50 4.33 -0.21 0.32 -4.89 119.66 118.38 1lba s GLN 25 Ca 0.07 -1.89 -0.13 0.00 0.02 0.00 0.00 55.36 53.43 1lba s GLN 25 Cb 0.10 -5.06 0.01 0.00 1.00 0.00 0.00 33.01 29.06 1lba s GLN 25 CO 0.32 -1.87 2.40 -1.71 -2.12 0.00 0.00 175.29 172.31 1lba n ASN 26 N 6.79 4.98 -4.87 5.90 5.15 -1.26 -4.88 115.26 127.06 1lba n ASN 26 Ca 0.30 -2.78 -0.21 0.00 -0.60 0.00 0.00 54.58 51.29 1lba n ASN 26 Cb 0.48 -1.64 -0.03 0.00 -0.53 0.00 0.00 39.78 38.06 1lba n ASN 26 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1lba s VAL 27 N 2.96 2.65 0.00 3.44 -7.23 -1.26 -5.03 120.40 115.94 1lba s VAL 27 Ca 0.52 -1.36 0.00 0.00 -1.81 0.00 0.00 61.98 59.33 1lba s VAL 27 Cb 0.15 -3.00 0.00 0.00 0.56 0.00 0.00 36.38 34.09 1lba s VAL 27 CO -0.08 -0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.31 1lba n GLY 28 N -1.53 4.66 0.29 2.32 0.00 -1.26 -4.67 105.19 105.00 1lba n GLY 28 Ca 0.03 -1.27 0.05 0.00 0.00 0.00 0.00 46.02 44.83 1lba n GLY 28 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1lba h VAL 29 N 0.02 1.07 -0.90 1.61 -1.51 -1.93 -2.29 116.25 112.32 1lba h VAL 29 Ca 0.00 -0.14 0.07 0.00 -1.23 0.00 0.00 66.70 65.40 1lba h VAL 29 Cb 0.00 0.66 -0.07 0.00 -2.13 0.00 0.00 31.29 29.75 1lba h VAL 29 CO 0.00 0.07 0.56 -0.09 -1.23 0.00 0.00 177.57 176.88 1lba h ARG 30 N 0.39 0.96 0.00 5.19 2.43 -1.97 -0.36 114.38 121.02 1lba h ARG 30 Ca 0.10 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.19 1lba h ARG 30 Cb -0.04 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 29.29 1lba h ARG 30 CO -0.02 0.64 -0.18 0.93 -1.51 0.00 0.00 179.97 179.82 1lba h GLU 31 N 0.99 0.00 0.00 0.20 3.07 -1.84 -3.13 114.58 113.87 1lba h GLU 31 Ca 0.41 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 59.25 1lba h GLU 31 Cb 0.24 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.15 1lba h GLU 31 CO -0.20 0.70 -0.09 0.82 -1.40 0.00 0.00 179.01 178.85 1lba h ILE 32 N -1.00 1.01 -0.28 3.13 2.04 -1.46 -0.16 117.51 120.80 1lba h ILE 32 Ca -0.04 -0.30 -0.04 0.00 1.00 0.00 0.00 64.86 65.48 1lba h ILE 32 Cb 0.76 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.99 1lba h ILE 32 CO -0.03 0.08 0.01 -0.09 0.00 0.00 0.00 178.15 178.12 1lba h ARG 33 N 0.00 0.48 -0.53 2.37 2.43 -1.18 -2.42 114.38 115.53 1lba h ARG 33 Ca -0.00 -0.15 0.03 0.00 -0.81 0.00 0.00 59.98 59.05 1lba h ARG 33 Cb 0.16 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.62 1lba h ARG 33 CO 0.01 0.64 0.31 0.37 -1.51 0.00 0.00 179.97 179.79 1lba h GLN 34 N 0.27 0.59 -0.25 0.20 4.15 -1.08 -1.30 115.11 117.70 1lba h GLN 34 Ca 0.08 -0.04 -0.06 0.00 0.77 0.00 0.00 58.65 59.41 1lba h GLN 34 Cb 0.41 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.96 1lba h GLN 34 CO 0.01 0.39 -0.10 -1.49 -1.93 0.00 0.00 178.83 175.71 1lba h TRP 35 N 0.61 0.42 0.08 3.99 6.55 -1.05 -1.41 115.95 125.14 1lba h TRP 35 Ca 0.22 -0.05 -0.26 0.00 0.95 0.00 0.00 58.89 59.75 1lba h TRP 35 Cb 0.05 -0.12 0.01 0.00 -0.86 0.00 0.00 29.16 28.24 1lba h TRP 35 CO -0.07 0.50 -1.13 0.45 -1.05 0.00 0.00 178.44 177.13 1lba h HIS 36 N 0.38 0.62 -0.18 0.49 3.86 -0.89 -2.77 115.15 116.65 1lba h HIS 36 Ca 0.08 -0.40 -0.20 0.00 -1.16 0.00 0.00 60.37 58.69 1lba h HIS 36 Cb 0.41 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.84 1lba h HIS 36 CO 0.01 1.26 -0.69 0.87 0.86 0.00 0.00 177.93 180.24 1lba h LYS 37 N 0.16 0.75 -0.43 2.45 1.57 -1.17 -2.20 116.57 117.70 1lba h LYS 37 Ca -0.12 -0.56 0.06 0.00 -1.87 0.00 0.00 60.65 58.16 1lba h LYS 37 Cb 1.81 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 34.20 1lba h LYS 37 CO 0.19 1.18 0.29 0.93 -0.57 0.00 0.00 179.45 181.47 1lba h GLU 38 N 0.53 0.33 0.00 3.15 5.08 -1.29 -0.53 114.58 121.86 1lba h GLU 38 Ca -0.03 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1lba h GLU 38 Cb 1.30 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1lba h GLU 38 CO 0.14 0.22 0.00 1.04 -1.00 0.00 0.00 179.01 179.41 1lba n GLN 39 N -4.48 0.94 0.00 2.33 6.02 -0.97 -4.90 117.38 116.33 1lba n GLN 39 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.04 1lba n GLN 39 Cb 0.24 -1.22 0.00 0.00 1.02 0.00 0.00 30.24 30.29 1lba n GLN 39 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1lba n GLY 40 N 0.63 0.37 3.94 1.08 0.00 -0.21 -5.07 105.19 105.93 1lba n GLY 40 Ca 0.10 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.87 1lba n GLY 40 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1lba s TRP 41 N -2.00 2.84 -0.45 1.61 0.51 -0.86 -4.99 118.94 115.60 1lba s TRP 41 Ca 0.00 0.37 0.23 0.00 -2.12 0.00 0.00 56.10 54.58 1lba s TRP 41 Cb 0.00 -3.16 0.33 0.00 -0.81 0.00 0.00 33.47 29.83 1lba s TRP 41 CO 0.00 -1.39 1.50 -0.07 -0.51 0.00 0.00 176.95 176.48 1lba h LEU 42 N -0.55 0.00 0.00 2.99 -0.00 -1.93 -3.37 115.31 112.46 1lba h LEU 42 Ca -0.44 -0.01 0.11 0.00 -0.00 0.00 0.00 57.88 57.54 1lba h LEU 42 Cb 1.31 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.95 1lba h LEU 42 CO 0.58 0.01 0.42 -0.67 -0.00 0.00 0.00 178.44 178.78 1lba n ASP 43 N -2.84 -1.25 -4.78 -0.43 -0.08 -1.26 -4.97 116.55 100.94 1lba n ASP 43 Ca 0.03 -1.66 -0.41 0.00 -1.51 0.00 0.00 54.79 51.25 1lba n ASP 43 Cb 0.52 2.03 -0.00 0.00 2.34 0.00 0.00 41.12 46.00 1lba n ASP 43 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1lba s VAL 44 N -2.21 2.09 -1.46 5.18 1.01 -1.26 -4.60 120.40 119.15 1lba s VAL 44 Ca 0.16 0.10 0.28 0.00 0.00 0.00 0.00 61.98 62.52 1lba s VAL 44 Cb -0.02 -3.06 0.34 0.00 0.00 0.00 0.00 36.38 33.64 1lba s VAL 44 CO 0.04 0.02 1.78 0.61 0.00 0.00 0.00 175.10 177.56 1lba n GLY 45 N 0.49 -1.05 3.81 4.51 0.00 -1.26 -4.44 105.19 107.25 1lba n GLY 45 Ca 0.01 -0.26 -0.29 0.00 0.00 0.00 0.00 46.02 45.47 1lba n GLY 45 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1lba s TYR 46 N -2.63 3.24 0.03 1.61 2.02 -1.26 -2.13 117.35 118.23 1lba s TYR 46 Ca 0.24 0.08 0.04 0.00 -0.37 0.00 0.00 57.07 57.06 1lba s TYR 46 Cb 0.19 -1.62 -0.24 0.00 -0.40 0.00 0.00 41.96 39.89 1lba s TYR 46 CO 0.52 0.53 0.97 0.45 -1.57 0.00 0.00 175.55 176.45 1lba h HIS 47 N 2.99 0.20 -3.60 2.71 3.86 -1.42 -0.88 115.15 119.01 1lba h HIS 47 Ca -0.47 -0.14 -0.26 0.00 -1.16 0.00 0.00 60.37 58.34 1lba h HIS 47 Cb 1.17 -0.01 -0.31 0.00 1.06 0.00 0.00 27.41 29.33 1lba h HIS 47 CO 0.60 1.16 -0.71 -0.06 0.86 0.00 0.00 177.93 179.77 1lba s PHE 48 N -2.65 0.00 -0.12 2.45 0.08 -1.08 0.03 117.98 116.70 1lba s PHE 48 Ca -0.04 0.10 -0.00 0.00 0.12 0.00 0.00 56.93 57.10 1lba s PHE 48 Cb 0.08 -0.12 -0.02 0.00 -0.57 0.00 0.00 43.02 42.40 1lba s PHE 48 CO 0.84 -0.05 -0.11 0.42 -0.10 0.00 0.00 175.22 176.22 1lba s ILE 49 N 0.57 3.29 -0.35 0.64 1.09 0.42 -0.43 121.20 126.42 1lba s ILE 49 Ca -0.05 -0.59 -0.07 0.00 -1.10 0.00 0.00 60.65 58.84 1lba s ILE 49 Cb -0.07 -2.38 0.04 0.00 -1.06 0.00 0.00 42.46 38.99 1lba s ILE 49 CO -0.02 0.53 0.14 -0.63 -0.10 0.00 0.00 174.94 174.86 1lba s ILE 50 N 0.11 3.95 1.01 2.92 1.01 0.08 -0.71 121.20 129.57 1lba s ILE 50 Ca -0.05 -1.13 -0.12 0.00 0.00 0.00 0.00 60.65 59.35 1lba s ILE 50 Cb -0.14 -3.26 0.20 0.00 0.01 0.00 0.00 42.46 39.26 1lba s ILE 50 CO 0.04 -0.23 1.08 -0.54 0.00 0.00 0.00 174.94 175.29 1lba s LYS 51 N 1.42 0.33 0.49 2.79 1.02 0.22 -2.59 119.74 123.42 1lba s LYS 51 Ca -0.00 0.69 0.28 0.00 0.02 0.00 0.00 55.97 56.96 1lba s LYS 51 Cb -0.20 -1.71 0.99 0.00 -0.52 0.00 0.00 37.83 36.39 1lba s LYS 51 CO 0.03 -2.84 1.85 0.00 -0.92 0.00 0.00 175.35 173.46 1lba h ARG 52 N -1.98 0.00 -0.03 1.68 3.08 -1.85 -1.04 114.38 114.23 1lba h ARG 52 Ca -0.55 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.50 1lba h ARG 52 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.37 1lba h ARG 52 CO 0.55 0.08 0.00 -0.40 -1.07 0.00 0.00 179.97 179.13 1lba n ASP 53 N -3.18 0.31 0.00 7.04 5.75 -1.26 -4.42 116.55 120.78 1lba n ASP 53 Ca 0.01 -1.47 0.00 0.00 -0.01 0.00 0.00 54.79 53.32 1lba n ASP 53 Cb 0.40 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.47 1lba n ASP 53 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1lba n GLY 54 N 0.85 0.61 3.72 6.12 0.00 -0.39 -4.79 105.19 111.32 1lba n GLY 54 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1lba n GLY 54 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1lba s THR 55 N -2.44 3.44 -0.19 2.61 2.01 -1.25 -4.76 115.64 115.06 1lba s THR 55 Ca 0.00 1.10 -0.06 0.00 0.31 0.00 0.00 61.69 63.03 1lba s THR 55 Cb 0.00 -3.70 -0.03 0.00 0.01 0.00 0.00 72.50 68.78 1lba s THR 55 CO 0.00 0.12 0.03 0.54 -0.69 0.00 0.00 174.62 174.62 1lba s VAL 56 N 0.64 4.36 0.07 3.82 0.11 -1.26 -0.61 120.40 127.53 1lba s VAL 56 Ca 0.60 -0.18 0.08 0.00 -2.93 0.00 0.00 61.98 59.54 1lba s VAL 56 Cb -0.35 -2.97 -0.04 0.00 -1.53 0.00 0.00 36.38 31.50 1lba s VAL 56 CO 0.33 0.44 -0.18 -1.61 -3.33 0.00 0.00 175.10 170.76 1lba s GLU 57 N 0.69 1.96 0.22 1.54 2.02 0.11 -4.97 118.70 120.27 1lba s GLU 57 Ca 0.01 -1.06 -0.16 0.00 0.02 0.00 0.00 54.97 53.79 1lba s GLU 57 Cb -0.14 -2.16 -0.08 0.00 0.10 0.00 0.00 34.13 31.85 1lba s GLU 57 CO 0.02 0.51 0.65 0.00 0.02 0.00 0.00 175.26 176.46 1lba s ALA 58 N -1.03 3.47 0.00 5.21 0.00 -1.26 -0.44 121.76 127.71 1lba s ALA 58 Ca 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 51.96 52.11 1lba s ALA 58 Cb -0.11 -2.66 0.00 0.00 0.00 0.00 0.00 23.12 20.35 1lba s ALA 58 CO 0.08 0.39 0.00 0.41 0.00 0.00 0.00 175.76 176.64 1lba n GLY 59 N 0.39 0.84 3.74 0.00 0.00 0.10 -4.85 105.19 105.41 1lba n GLY 59 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 1lba n GLY 59 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1lba s ARG 60 N 1.71 2.02 0.38 1.61 0.52 -0.34 -4.94 118.95 119.92 1lba s ARG 60 Ca 0.00 1.31 -0.28 0.00 -0.52 0.00 0.00 55.73 56.25 1lba s ARG 60 Cb 0.00 -1.86 -0.11 0.00 0.52 0.00 0.00 34.95 33.50 1lba s ARG 60 CO 0.00 -1.84 1.48 -3.47 0.02 0.00 0.00 175.30 171.49 1lba n ASP 61 N -3.52 3.74 -0.21 0.23 -0.08 -1.26 -4.58 116.55 110.86 1lba n ASP 61 Ca 0.10 1.22 0.22 0.00 -1.51 0.00 0.00 54.79 54.82 1lba n ASP 61 Cb 0.52 -1.62 0.58 0.00 2.34 0.00 0.00 41.12 42.95 1lba n ASP 61 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 1lba h GLU 62 N 2.88 0.26 -0.12 -0.67 4.81 -1.92 -1.56 114.58 118.26 1lba h GLU 62 Ca -0.51 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 1lba h GLU 62 Cb 1.25 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.57 1lba h GLU 62 CO 0.64 0.17 0.00 -0.12 -0.73 0.00 0.00 179.01 178.97 1lba n MET 63 N -4.44 2.06 -2.98 1.92 1.56 -1.26 -4.96 117.12 109.02 1lba n MET 63 Ca 0.19 -1.57 -0.23 0.00 -0.27 0.00 0.00 57.70 55.82 1lba n MET 63 Cb 0.77 -1.46 0.01 0.00 2.15 0.00 0.00 33.22 34.69 1lba n MET 63 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1lba s ALA 64 N -1.86 3.72 0.10 -5.12 0.00 -0.59 -1.02 121.76 116.98 1lba s ALA 64 Ca 0.34 -1.01 -0.30 0.00 0.00 0.00 0.00 51.96 50.99 1lba s ALA 64 Cb 0.20 -2.18 -0.06 0.00 0.00 0.00 0.00 23.12 21.09 1lba s ALA 64 CO 0.31 -0.37 1.06 0.08 0.00 0.00 0.00 175.76 176.84 1lba s VAL 65 N -2.56 4.29 0.19 0.00 1.01 -1.21 -4.61 120.40 117.51 1lba s VAL 65 Ca 0.48 1.80 0.00 0.00 0.00 0.00 0.00 61.98 64.26 1lba s VAL 65 Cb -0.10 -4.15 0.00 0.00 0.00 0.00 0.00 36.38 32.13 1lba s VAL 65 CO 0.38 0.23 0.03 0.61 0.00 0.00 0.00 175.10 176.35 1lba n GLY 66 N 2.54 3.77 2.83 4.51 0.00 -1.26 -5.02 105.19 112.57 1lba n GLY 66 Ca 0.05 -2.26 -0.30 0.00 0.00 0.00 0.00 46.02 43.51 1lba n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1lba s SER 67 N -2.06 4.03 0.00 1.61 1.04 -0.91 -4.69 113.70 112.72 1lba s SER 67 Ca 0.02 -2.65 0.00 0.00 0.48 0.00 0.00 55.95 53.81 1lba s SER 67 Cb -0.00 -1.30 0.00 0.00 0.10 0.00 0.00 66.02 64.82 1lba s SER 67 CO 0.01 -0.28 0.00 0.00 0.98 0.00 0.00 173.24 173.96 1lba n HIS 68 N 3.55 0.00 -3.63 5.02 -0.00 -1.26 -4.39 115.22 114.52 1lba n HIS 68 Ca 0.06 0.00 -0.20 0.00 -0.00 0.00 0.00 57.72 57.58 1lba n HIS 68 Cb 0.35 0.00 -0.16 0.00 -0.00 0.00 0.00 29.99 30.18 1lba n HIS 68 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1lba s ALA 69 N -0.92 0.06 0.06 1.59 0.00 -1.26 -5.09 121.76 116.19 1lba s ALA 69 Ca 0.00 0.23 -0.23 0.00 0.00 0.00 0.00 51.96 51.96 1lba s ALA 69 Cb 0.00 -0.88 -0.06 0.00 0.00 0.00 0.00 23.12 22.18 1lba s ALA 69 CO 0.00 -0.77 0.69 0.21 0.00 0.00 0.00 175.76 175.89 1lba s LYS 70 N 2.23 4.41 0.00 0.00 2.20 -1.26 -1.82 119.74 125.51 1lba s LYS 70 Ca 0.04 0.94 0.00 0.00 -0.36 0.00 0.00 55.97 56.59 1lba s LYS 70 Cb -0.13 -3.32 0.00 0.00 -1.51 0.00 0.00 37.83 32.87 1lba s LYS 70 CO -0.07 0.41 0.00 0.41 -0.36 0.00 0.00 175.35 175.75 1lba n GLY 71 N 2.16 0.74 0.00 5.54 0.00 -1.26 -4.83 105.19 107.55 1lba n GLY 71 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1lba n GLY 71 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1lba n TYR 72 N -2.16 0.00 0.23 1.61 4.01 -0.91 -4.82 117.16 115.12 1lba n TYR 72 Ca 0.00 -0.02 0.11 0.00 -0.16 0.00 0.00 57.90 57.83 1lba n TYR 72 Cb 0.00 -0.00 0.51 0.00 -0.31 0.00 0.00 39.34 39.54 1lba n TYR 72 CO 0.00 0.00 0.00 -0.91 -0.46 0.00 0.00 176.86 175.49 1lba h ASN 73 N 0.00 0.00 0.39 7.72 2.35 -1.64 -2.89 115.58 121.52 1lba h ASN 73 Ca 0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 1lba h ASN 73 Cb 0.53 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.90 1lba h ASN 73 CO 0.00 0.20 -0.04 1.12 -1.65 0.00 0.00 177.43 177.06 1lba h HIS 74 N 0.00 0.00 -0.56 1.19 2.07 -1.87 -3.35 115.15 112.62 1lba h HIS 74 Ca -0.00 0.00 -0.27 0.00 -2.85 0.00 0.00 60.37 57.24 1lba h HIS 74 Cb 0.67 0.00 -0.37 0.00 2.57 0.00 0.00 27.41 30.29 1lba h HIS 74 CO 0.00 0.04 -1.04 0.27 -3.07 0.00 0.00 177.93 174.14 1lba n ASN 75 N -3.32 1.10 -3.69 3.10 6.94 -1.09 -4.15 115.26 114.15 1lba n ASN 75 Ca -0.02 -2.29 -0.09 0.00 -0.02 0.00 0.00 54.58 52.16 1lba n ASN 75 Cb 0.19 -0.32 -0.02 0.00 -2.36 0.00 0.00 39.78 37.26 1lba n ASN 75 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1lba s SER 76 N -3.23 -0.37 -0.08 0.53 1.04 -1.24 -0.87 113.70 109.48 1lba s SER 76 Ca 0.25 -0.38 -0.02 0.00 0.48 0.00 0.00 55.95 56.28 1lba s SER 76 Cb 0.38 0.66 -0.03 0.00 0.10 0.00 0.00 66.02 67.13 1lba s SER 76 CO -0.02 -1.17 0.03 -0.63 0.98 0.00 0.00 173.24 172.43 1lba s ILE 77 N -3.85 4.55 -0.12 -1.02 -1.09 -0.43 -4.81 121.20 114.42 1lba s ILE 77 Ca 0.07 -0.21 0.02 0.00 -2.23 0.00 0.00 60.65 58.31 1lba s ILE 77 Cb -0.04 -2.95 -0.00 0.00 -1.58 0.00 0.00 42.46 37.89 1lba s ILE 77 CO -0.01 0.57 -0.19 -0.83 -1.23 0.00 0.00 174.94 173.24 1lba s GLY 78 N -1.04 1.42 -0.07 6.18 0.00 -1.26 -0.35 107.32 112.20 1lba s GLY 78 Ca 0.15 -0.97 0.05 0.00 0.00 0.00 0.00 44.72 43.95 1lba s GLY 78 CO 0.04 -0.21 -0.22 0.14 0.00 0.00 0.00 173.10 172.85 1lba s VAL 79 N 0.45 2.31 -0.12 1.40 1.01 0.14 -1.24 120.40 124.35 1lba s VAL 79 Ca -0.14 -0.97 0.03 0.00 0.00 0.00 0.00 61.98 60.90 1lba s VAL 79 Cb -0.17 -1.87 0.01 0.00 0.00 0.00 0.00 36.38 34.35 1lba s VAL 79 CO 0.06 0.57 -0.22 0.00 0.00 0.00 0.00 175.10 175.51 1lba s LEU 81 N 0.63 4.27 -0.28 0.00 1.43 0.36 -0.74 118.68 124.35 1lba s LEU 81 Ca -0.12 0.83 -0.29 0.00 -1.03 0.00 0.00 54.13 53.52 1lba s LEU 81 Cb -0.16 -2.73 -0.01 0.00 0.03 0.00 0.00 46.19 43.32 1lba s LEU 81 CO 0.03 -0.03 1.40 -0.69 0.23 0.00 0.00 176.35 177.29 1lba s VAL 82 N 0.73 4.00 -5.00 -1.59 1.01 -1.07 -0.90 120.40 117.57 1lba s VAL 82 Ca 0.27 1.12 0.00 0.00 0.00 0.00 0.00 61.98 63.37 1lba s VAL 82 Cb -0.15 -4.02 0.00 0.00 0.00 0.00 0.00 36.38 32.21 1lba s VAL 82 CO 0.11 -0.43 0.00 0.61 0.00 0.00 0.00 175.10 175.39 1lba n GLY 83 N 4.44 0.74 0.00 4.51 0.00 -1.26 -4.76 105.19 108.86 1lba n GLY 83 Ca 0.16 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.38 1lba n GLY 83 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lba n GLY 84 N 0.00 1.83 3.10 -0.02 0.00 -1.03 -1.46 105.19 107.62 1lba n GLY 84 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1lba n GLY 84 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1lba s ILE 85 N -1.51 0.59 0.20 -0.61 -4.36 -0.76 -0.55 121.20 114.20 1lba s ILE 85 Ca 0.00 -1.42 -0.02 0.00 -0.26 0.00 0.00 60.65 58.95 1lba s ILE 85 Cb 0.00 -1.04 0.04 0.00 1.25 0.00 0.00 42.46 42.72 1lba s ILE 85 CO 0.00 -0.59 0.28 -0.90 0.24 0.00 0.00 174.94 173.97 1lba n ASP 86 N 0.86 0.20 0.27 4.36 5.68 -0.59 -3.84 116.55 123.48 1lba n ASP 86 Ca -0.19 -1.21 0.16 0.00 -0.50 0.00 0.00 54.79 53.06 1lba n ASP 86 Cb 0.57 -0.20 0.66 0.00 -1.14 0.00 0.00 41.12 41.02 1lba n ASP 86 CO 0.00 0.00 0.00 -2.24 -1.33 0.00 0.00 177.20 173.63 1lba h ASP 87 N -0.27 0.00 0.99 -1.12 3.04 -1.98 -1.06 116.42 116.03 1lba h ASP 87 Ca -0.09 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.70 1lba h ASP 87 Cb 0.29 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.58 1lba h ASP 87 CO 0.08 0.03 -0.05 0.29 -2.04 0.00 0.00 179.24 177.55 1lba n LYS 88 N -3.14 0.02 -0.42 4.15 5.02 -1.26 -4.92 118.16 117.61 1lba n LYS 88 Ca 0.00 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 1lba n LYS 88 Cb 0.32 -1.52 0.00 0.00 -0.02 0.00 0.00 35.03 33.81 1lba n LYS 88 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1lba n GLY 89 N 1.49 0.75 3.87 0.72 0.00 -0.40 -5.07 105.19 106.55 1lba n GLY 89 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 1lba n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lba s LYS 90 N -0.58 3.79 0.36 1.61 1.02 -1.26 -4.83 119.74 119.85 1lba s LYS 90 Ca 0.00 0.48 -0.26 0.00 0.02 0.00 0.00 55.97 56.21 1lba s LYS 90 Cb 0.00 -2.39 -0.09 0.00 -0.52 0.00 0.00 37.83 34.83 1lba s LYS 90 CO 0.00 -0.03 1.10 -0.59 -0.92 0.00 0.00 175.35 174.91 1lba s PHE 91 N -2.35 3.32 -0.22 3.18 -0.12 -1.26 -1.55 117.98 118.98 1lba s PHE 91 Ca 0.51 1.64 -0.12 0.00 -0.05 0.00 0.00 56.93 58.91 1lba s PHE 91 Cb -0.10 -3.26 0.07 0.00 -0.63 0.00 0.00 43.02 39.10 1lba s PHE 91 CO 0.31 -0.79 0.53 0.34 -0.05 0.00 0.00 175.22 175.56 1lba s ASP 92 N -1.20 -0.71 -1.26 1.98 2.15 0.29 -4.79 116.67 113.13 1lba s ASP 92 Ca 0.53 1.17 -0.16 0.00 0.43 0.00 0.00 52.55 54.52 1lba s ASP 92 Cb -0.28 1.05 0.12 0.00 -0.30 0.00 0.00 42.92 43.51 1lba s ASP 92 CO 0.35 -0.21 1.61 0.00 -0.17 0.00 0.00 175.17 176.75 1lba n ALA 93 N 4.29 3.81 -1.15 3.66 0.00 -1.24 -4.02 120.51 125.86 1lba n ALA 93 Ca -0.22 -4.05 -0.19 0.00 0.00 0.00 0.00 53.44 48.98 1lba n ALA 93 Cb 0.57 -3.32 0.21 0.00 0.00 0.00 0.00 19.45 16.91 1lba n ALA 93 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1lba n ASN 94 N 6.89 4.06 -4.77 0.00 0.23 -1.26 -4.84 115.26 115.57 1lba n ASN 94 Ca 0.43 -3.49 -0.39 0.00 -0.53 0.00 0.00 54.58 50.61 1lba n ASN 94 Cb 0.44 -0.81 -0.05 0.00 -2.08 0.00 0.00 39.78 37.27 1lba n ASN 94 CO 0.00 0.00 0.00 -0.36 -0.93 0.00 0.00 177.26 175.97 1lba s PHE 95 N -3.18 3.69 0.53 -2.53 0.08 -1.26 -4.91 117.98 110.39 1lba s PHE 95 Ca 0.56 1.78 -0.22 0.00 0.12 0.00 0.00 56.93 59.17 1lba s PHE 95 Cb 0.46 -3.05 -0.05 0.00 -0.57 0.00 0.00 43.02 39.81 1lba s PHE 95 CO 0.12 -0.01 1.36 0.99 -0.10 0.00 0.00 175.22 177.57 1lba s THR 96 N -1.39 2.14 0.30 0.64 2.01 -1.26 -4.94 115.64 113.14 1lba s THR 96 Ca 0.47 0.11 0.06 0.00 0.31 0.00 0.00 61.69 62.65 1lba s THR 96 Cb -0.24 -3.06 0.30 0.00 0.01 0.00 0.00 72.50 69.51 1lba s THR 96 CO 0.31 0.00 1.69 -0.65 -0.69 0.00 0.00 174.62 175.27 1lba h PRO 97 N 1.62 0.37 -0.15 4.92 0.11 -1.95 -1.82 132.00 135.10 1lba h PRO 97 Ca -0.51 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.47 1lba h PRO 97 Cb 1.29 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1lba h PRO 97 CO 0.58 0.24 -0.40 0.00 -0.21 0.00 0.00 178.00 178.21 1lba h ALA 98 N 1.75 1.05 -0.36 -0.75 0.00 -1.91 -1.43 119.26 117.61 1lba h ALA 98 Ca 0.60 -0.41 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 1lba h ALA 98 Cb 1.21 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1lba h ALA 98 CO -0.56 0.60 -0.15 1.96 0.00 0.00 0.00 179.25 181.10 1lba h GLN 99 N 0.27 0.74 -0.08 0.00 4.20 -1.56 -2.01 115.11 116.67 1lba h GLN 99 Ca 0.03 -0.31 -0.12 0.00 0.06 0.00 0.00 58.65 58.31 1lba h GLN 99 Cb 0.83 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.57 1lba h GLN 99 CO 0.07 0.92 -0.47 0.52 -0.67 0.00 0.00 178.83 179.20 1lba h MET 100 N 0.53 0.20 -0.20 1.46 2.86 -1.04 -0.99 114.93 117.75 1lba h MET 100 Ca 0.08 -0.11 -0.03 0.00 -2.06 0.00 0.00 59.70 57.59 1lba h MET 100 Cb 0.69 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.34 1lba h MET 100 CO 0.05 0.63 0.03 1.96 1.06 0.00 0.00 176.91 180.64 1lba h GLN 101 N 0.17 0.34 -0.32 1.72 4.20 -1.25 -1.54 115.11 118.42 1lba h GLN 101 Ca 0.01 -0.09 -0.07 0.00 0.06 0.00 0.00 58.65 58.56 1lba h GLN 101 Cb 0.89 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.62 1lba h GLN 101 CO 0.07 0.50 -0.08 0.77 -0.67 0.00 0.00 178.83 179.42 1lba h SER 102 N 0.13 0.51 -0.12 1.46 0.02 -1.06 -3.07 113.55 111.43 1lba h SER 102 Ca 0.06 -0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 60.88 1lba h SER 102 Cb 0.33 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 1lba h SER 102 CO 0.01 0.64 0.05 0.25 -1.14 0.00 0.00 176.83 176.63 1lba h LEU 103 N 0.50 0.16 -1.06 5.07 5.85 -0.95 -1.86 115.31 123.02 1lba h LEU 103 Ca 0.10 -0.15 0.02 0.00 0.84 0.00 0.00 57.88 58.69 1lba h LEU 103 Cb 0.45 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.39 1lba h LEU 103 CO 0.02 0.26 0.64 -0.09 -0.34 0.00 0.00 178.44 178.93 1lba h ARG 104 N 0.04 1.25 -0.13 1.25 2.43 -1.21 -0.26 114.38 117.75 1lba h ARG 104 Ca 0.04 -0.07 -0.21 0.00 -0.81 0.00 0.00 59.98 58.92 1lba h ARG 104 Cb 0.15 -0.28 0.01 0.00 -0.42 0.00 0.00 29.97 29.42 1lba h ARG 104 CO -0.00 0.82 -0.77 0.77 -1.51 0.00 0.00 179.97 179.28 1lba h SER 105 N 1.28 0.81 -0.36 -3.80 0.02 -1.42 -2.41 113.55 107.67 1lba h SER 105 Ca 0.36 -0.54 0.03 0.00 -0.84 0.00 0.00 61.79 60.81 1lba h SER 105 Cb -0.11 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.15 1lba h SER 105 CO -0.09 1.32 0.15 0.25 -1.14 0.00 0.00 176.83 177.33 1lba h LEU 106 N 0.46 0.20 -0.18 5.07 5.85 -0.88 -0.72 115.31 125.12 1lba h LEU 106 Ca -0.05 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 1lba h LEU 106 Cb 1.39 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.41 1lba h LEU 106 CO 0.15 0.15 -0.00 -0.07 -0.34 0.00 0.00 178.44 178.33 1lba h LEU 107 N 0.32 0.31 -0.77 2.25 3.38 -1.05 0.74 115.31 120.50 1lba h LEU 107 Ca 0.16 -0.32 0.10 0.00 0.09 0.00 0.00 57.88 57.91 1lba h LEU 107 Cb 0.10 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 40.69 1lba h LEU 107 CO -0.14 0.55 0.40 0.58 0.09 0.00 0.00 178.44 179.93 1lba h VAL 108 N 0.07 0.85 -0.80 1.22 2.07 -1.34 0.14 116.25 118.46 1lba h VAL 108 Ca 0.05 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.32 1lba h VAL 108 Cb 0.39 0.13 -0.04 0.00 -1.52 0.00 0.00 31.29 30.25 1lba h VAL 108 CO 0.01 0.12 0.41 0.74 0.02 0.00 0.00 177.57 178.87 1lba h THR 109 N 0.67 1.25 -0.10 2.57 2.02 -0.40 -2.72 112.91 116.20 1lba h THR 109 Ca 0.38 -0.66 -0.18 0.00 0.77 0.00 0.00 66.41 66.73 1lba h THR 109 Cb 0.40 0.21 0.01 0.00 -1.74 0.00 0.00 68.15 67.03 1lba h THR 109 CO -0.27 0.28 -0.63 -0.07 0.37 0.00 0.00 175.52 175.20 1lba h LEU 110 N 1.12 0.73 -1.66 2.58 4.07 0.10 -2.28 115.31 119.97 1lba h LEU 110 Ca 0.28 -0.66 0.00 0.00 0.08 0.00 0.00 57.88 57.58 1lba h LEU 110 Cb 0.08 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 41.60 1lba h LEU 110 CO -0.04 1.27 0.00 -0.07 -1.08 0.00 0.00 178.44 178.52 1lba h LEU 111 N 0.24 0.00 0.09 1.67 3.38 -0.67 -2.19 115.31 117.82 1lba h LEU 111 Ca -0.05 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.59 1lba h LEU 111 Cb 1.28 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.00 1lba h LEU 111 CO 0.13 0.00 -1.81 0.00 0.09 0.00 0.00 178.44 176.85 1lba h ALA 112 N 2.06 0.51 -0.01 1.53 0.00 -1.33 -3.36 119.26 118.65 1lba h ALA 112 Ca 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 54.91 53.55 1lba h ALA 112 Cb 0.31 0.55 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1lba h ALA 112 CO 0.00 1.36 -0.17 0.36 0.00 0.00 0.00 179.25 180.80 1lba n LYS 113 N -3.34 0.92 -3.39 0.00 2.85 -0.87 -4.30 118.16 110.03 1lba n LYS 113 Ca -0.24 -0.48 -0.26 0.00 -1.05 0.00 0.00 58.31 56.28 1lba n LYS 113 Cb 1.05 -1.49 -0.08 0.00 -0.65 0.00 0.00 35.03 33.86 1lba n LYS 113 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1lba n TYR 114 N -0.62 1.86 -0.60 5.58 4.01 -0.94 -5.05 117.16 121.40 1lba n TYR 114 Ca 0.14 -3.90 -0.25 0.00 -0.16 0.00 0.00 57.90 53.73 1lba n TYR 114 Cb 0.32 -0.43 -0.04 0.00 -0.31 0.00 0.00 39.34 38.89 1lba n TYR 114 CO 0.00 0.00 0.00 -0.85 -0.46 0.00 0.00 176.86 175.55 1lba n GLU 115 N 1.33 0.00 -0.02 -0.72 0.28 -1.26 -0.36 120.64 119.90 1lba n GLU 115 Ca 0.26 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.26 1lba n GLU 115 Cb 0.45 -0.57 0.00 0.00 1.43 0.00 0.00 31.44 32.75 1lba n GLU 115 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1lba n GLY 116 N 2.02 1.96 3.76 -1.84 0.00 -1.26 -5.00 105.19 104.82 1lba n GLY 116 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 1lba n GLY 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lba s ALA 117 N -2.68 2.71 0.09 4.61 0.00 0.52 -4.94 121.76 122.07 1lba s ALA 117 Ca 0.00 1.02 0.05 0.00 0.00 0.00 0.00 51.96 53.03 1lba s ALA 117 Cb 0.00 -3.44 -0.04 0.00 0.00 0.00 0.00 23.12 19.64 1lba s ALA 117 CO 0.00 -1.02 -0.02 0.54 0.00 0.00 0.00 175.76 175.26 1lba s VAL 118 N -1.56 3.89 -0.18 0.00 0.11 -0.13 -4.92 120.40 117.62 1lba s VAL 118 Ca 0.73 -1.03 -0.16 0.00 -2.93 0.00 0.00 61.98 58.59 1lba s VAL 118 Cb -0.31 -2.84 -0.04 0.00 -1.53 0.00 0.00 36.38 31.66 1lba s VAL 118 CO 0.35 0.13 0.38 -0.22 -3.33 0.00 0.00 175.10 172.41 1lba s LEU 119 N -2.26 4.19 0.04 2.54 1.98 -1.26 -1.08 118.68 122.82 1lba s LEU 119 Ca 0.25 0.54 0.00 0.00 -2.89 0.00 0.00 54.13 52.03 1lba s LEU 119 Cb -0.12 -2.50 -0.03 0.00 0.66 0.00 0.00 46.19 44.21 1lba s LEU 119 CO 0.17 -0.03 -0.04 -0.13 -1.89 0.00 0.00 176.35 174.43 1lba s ARG 120 N 1.06 0.46 -0.16 1.98 0.52 0.45 -4.94 118.95 118.32 1lba s ARG 120 Ca 0.19 -0.85 -0.07 0.00 -0.52 0.00 0.00 55.73 54.48 1lba s ARG 120 Cb -0.14 0.04 -0.04 0.00 0.52 0.00 0.00 34.95 35.33 1lba s ARG 120 CO 0.07 -0.05 0.09 0.00 0.02 0.00 0.00 175.30 175.43 1lba s ALA 121 N -2.24 3.55 0.18 2.13 0.00 -1.26 -0.35 121.76 123.77 1lba s ALA 121 Ca -0.07 -0.72 -0.14 0.00 0.00 0.00 0.00 51.96 51.04 1lba s ALA 121 Cb -0.04 -1.94 0.16 0.00 0.00 0.00 0.00 23.12 21.30 1lba s ALA 121 CO -0.03 0.31 1.73 1.25 0.00 0.00 0.00 175.76 179.01 1lba h HIS 122 N 6.17 0.18 0.00 0.00 2.76 -1.57 -2.08 115.15 120.60 1lba h HIS 122 Ca -0.43 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 57.77 1lba h HIS 122 Cb 1.18 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 30.13 1lba h HIS 122 CO 0.61 0.02 0.01 -2.39 -1.30 0.00 0.00 177.93 174.88 1lba n HIS 123 N -5.08 0.00 0.07 5.26 -0.00 0.64 -1.58 115.22 114.52 1lba n HIS 123 Ca 0.04 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.65 1lba n HIS 123 Cb 0.21 -0.05 -0.13 0.00 -0.00 0.00 0.00 29.99 30.02 1lba n HIS 123 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.34 177.27 1lba h GLU 124 N 0.00 0.13 0.00 -1.40 5.08 -1.68 -3.39 114.58 113.32 1lba h GLU 124 Ca 0.00 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1lba h GLU 124 Cb 0.02 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1lba h GLU 124 CO 0.00 1.06 -1.32 0.28 -1.00 0.00 0.00 179.01 178.03 1lba n VAL 125 N -3.41 0.00 -4.27 3.13 0.31 -0.62 -5.03 118.33 108.44 1lba n VAL 125 Ca -0.07 -0.27 -0.15 0.00 -0.01 0.00 0.00 64.34 63.84 1lba n VAL 125 Cb 0.99 0.42 -0.10 0.00 -0.91 0.00 0.00 33.84 34.24 1lba n VAL 125 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1lba s ALA 126 N -2.70 1.59 -0.77 3.52 0.00 -1.09 -5.04 121.76 117.27 1lba s ALA 126 Ca -0.02 -1.54 -0.07 0.00 0.00 0.00 0.00 51.96 50.33 1lba s ALA 126 Cb 0.08 0.04 -0.13 0.00 0.00 0.00 0.00 23.12 23.11 1lba s ALA 126 CO 0.53 -0.07 2.75 -0.35 0.00 0.00 0.00 175.76 178.61 1lba n PRO 127 N -0.25 2.41 -4.31 0.00 -0.04 -1.26 -4.57 135.00 126.99 1lba n PRO 127 Ca -0.10 -1.43 -0.17 0.00 -0.04 0.00 0.00 63.50 61.77 1lba n PRO 127 Cb 0.61 -2.34 -0.10 0.00 -0.04 0.00 0.00 33.50 31.63 1lba n PRO 127 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1lba s LYS 128 N 2.19 1.22 0.35 0.54 1.02 -1.26 -5.03 119.74 118.78 1lba s LYS 128 Ca 0.55 -1.52 0.23 0.00 0.02 0.00 0.00 55.97 55.25 1lba s LYS 128 Cb 0.19 -0.94 0.28 0.00 -0.52 0.00 0.00 37.83 36.84 1lba s LYS 128 CO -0.03 0.15 1.47 0.00 -0.92 0.00 0.00 175.35 176.02 1lba h ALA 129 N 2.70 0.86 -1.59 5.17 0.00 -1.90 -3.38 119.26 121.13 1lba h ALA 129 Ca -0.38 0.00 -0.72 0.00 0.00 0.00 0.00 54.91 53.82 1lba h ALA 129 Cb 1.21 0.00 0.03 0.00 0.00 0.00 0.00 17.79 19.03 1lba h ALA 129 CO 0.62 0.00 0.68 0.00 0.00 0.00 0.00 179.25 180.54 1lba n PRO 131 N 3.97 1.58 -0.93 0.00 -0.02 -1.26 -0.26 135.00 138.08 1lba n PRO 131 Ca 0.23 -0.88 0.00 0.00 -2.02 0.00 0.00 63.50 60.83 1lba n PRO 131 Cb 0.15 -1.37 0.00 0.00 -0.02 0.00 0.00 33.50 32.27 1lba n PRO 131 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1lba n SER 132 N 0.10 -2.78 -3.93 2.55 7.64 0.09 -4.36 113.62 112.93 1lba n SER 132 Ca 0.15 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.94 1lba n SER 132 Cb 0.27 -0.46 -0.07 0.00 -1.01 0.00 0.00 64.21 62.94 1lba n SER 132 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1lba s PHE 133 N -2.00 0.33 -0.56 1.43 -0.71 -0.88 -1.01 117.98 114.57 1lba s PHE 133 Ca 0.00 -0.69 -0.25 0.00 -1.04 0.00 0.00 56.93 54.95 1lba s PHE 133 Cb 0.00 -0.01 0.04 0.00 -1.21 0.00 0.00 43.02 41.84 1lba s PHE 133 CO 0.00 -0.73 0.99 0.34 -1.34 0.00 0.00 175.22 174.49 1lba s ASP 134 N -2.95 6.35 0.09 1.98 -1.08 -1.10 -4.64 116.67 115.32 1lba s ASP 134 Ca 0.16 -0.30 -0.21 0.00 -0.52 0.00 0.00 52.55 51.67 1lba s ASP 134 Cb 0.03 -2.46 -0.11 0.00 -1.46 0.00 0.00 42.92 38.92 1lba s ASP 134 CO -0.01 -1.29 1.68 0.25 0.52 0.00 0.00 175.17 176.31 1lba h LEU 135 N 11.20 0.15 -0.40 -1.34 6.46 -1.83 -2.86 115.31 126.68 1lba h LEU 135 Ca -0.26 -0.09 0.05 0.00 -0.12 0.00 0.00 57.88 57.46 1lba h LEU 135 Cb 1.07 -0.04 -0.05 0.00 -0.73 0.00 0.00 40.66 40.91 1lba h LEU 135 CO 1.11 0.20 0.12 0.50 -0.62 0.00 0.00 178.44 179.75 1lba h LYS 136 N 0.09 0.27 -0.49 1.25 3.64 -1.79 -0.24 116.57 119.30 1lba h LYS 136 Ca 0.04 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.30 1lba h LYS 136 Cb 0.08 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 1lba h LYS 136 CO -0.01 0.18 -0.10 -0.09 -2.27 0.00 0.00 179.45 177.15 1lba h ARG 137 N 0.27 0.89 -0.13 1.90 2.43 -1.83 0.01 114.38 117.92 1lba h ARG 137 Ca 0.19 -0.31 -0.06 0.00 -0.81 0.00 0.00 59.98 58.98 1lba h ARG 137 Cb 0.19 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.67 1lba h ARG 137 CO -0.21 0.95 -0.17 2.35 -1.51 0.00 0.00 179.97 181.39 1lba h TRP 138 N 0.80 0.43 -0.94 2.20 7.01 -1.27 -0.54 115.95 123.64 1lba h TRP 138 Ca 0.13 -0.14 0.01 0.00 2.11 0.00 0.00 58.89 61.01 1lba h TRP 138 Cb 0.62 -0.09 -0.05 0.00 -2.10 0.00 0.00 29.16 27.55 1lba h TRP 138 CO 0.04 0.77 0.62 2.35 -2.79 0.00 0.00 178.44 179.43 1lba h TRP 139 N -0.04 1.18 0.12 2.65 2.91 -0.71 0.19 115.95 122.25 1lba h TRP 139 Ca 0.02 0.03 -0.22 0.00 1.13 0.00 0.00 58.89 59.85 1lba h TRP 139 Cb 0.71 -0.40 0.01 0.00 -0.51 0.00 0.00 29.16 28.97 1lba h TRP 139 CO 0.09 0.73 -1.06 0.93 -1.03 0.00 0.00 178.44 178.10 1lba h GLU 140 N 1.26 0.25 -0.01 2.65 5.08 -1.05 -3.40 114.58 119.36 1lba h GLU 140 Ca 0.35 -0.43 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1lba h GLU 140 Cb -0.12 0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1lba h GLU 140 CO -0.08 1.20 -0.29 1.63 -1.00 0.00 0.00 179.01 180.47 1lba n LYS 141 N -4.07 2.21 -3.35 2.33 4.76 -0.22 -4.99 118.16 114.83 1lba n LYS 141 Ca -0.19 -0.55 -0.24 0.00 -2.87 0.00 0.00 58.31 54.46 1lba n LYS 141 Cb 0.84 -1.11 0.04 0.00 -1.84 0.00 0.00 35.03 32.95 1lba n LYS 141 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1lba n ASN 142 N -0.39 -5.76 -4.35 4.39 5.15 0.06 -4.98 115.26 109.38 1lba n ASN 142 Ca 0.04 -0.44 -0.33 0.00 -0.60 0.00 0.00 54.58 53.25 1lba n ASN 142 Cb 0.23 -4.61 -0.14 0.00 -0.53 0.00 0.00 39.78 34.73 1lba n ASN 142 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1lba s GLU 143 N -6.04 3.38 -0.38 1.20 2.02 -1.23 -4.98 118.70 112.67 1lba s GLU 143 Ca 0.45 -0.67 -0.13 0.00 0.02 0.00 0.00 54.97 54.64 1lba s GLU 143 Cb -0.21 -2.72 0.02 0.00 0.10 0.00 0.00 34.13 31.32 1lba s GLU 143 CO 0.55 0.11 0.24 -1.17 0.02 0.00 0.00 175.26 175.01 1lba s LEU 144 N 0.64 4.81 -0.00 1.80 2.96 -1.26 -2.63 118.68 125.00 1lba s LEU 144 Ca -0.06 -0.86 0.05 0.00 -0.22 0.00 0.00 54.13 53.04 1lba s LEU 144 Cb -0.15 -2.09 -0.02 0.00 0.50 0.00 0.00 46.19 44.43 1lba s LEU 144 CO 0.03 -0.38 -0.17 0.68 -1.32 0.00 0.00 176.35 175.18 1lba s VAL 145 N 1.63 1.37 0.12 1.68 -7.23 -1.26 -5.07 120.40 111.64 1lba s VAL 145 Ca 0.04 -0.81 -0.32 0.00 -1.81 0.00 0.00 61.98 59.08 1lba s VAL 145 Cb -0.19 -1.16 -0.11 0.00 0.56 0.00 0.00 36.38 35.48 1lba s VAL 145 CO 0.08 0.33 1.80 0.41 -0.31 0.00 0.00 175.10 177.41 1lba n THR 146 N 2.49 0.30 -3.58 5.32 -1.04 -1.26 -2.73 114.28 113.79 1lba n THR 146 Ca -0.15 -0.05 -0.14 0.00 -2.04 0.00 0.00 64.05 61.66 1lba n THR 146 Cb 0.54 -2.02 -0.06 0.00 -1.82 0.00 0.00 70.33 66.97 1lba n THR 146 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1lba s SER 147 N 2.47 -0.59 0.00 8.00 0.15 -0.18 -4.82 113.70 118.72 1lba s SER 147 Ca 0.82 0.87 0.25 0.00 0.70 0.00 0.00 55.95 58.58 1lba s SER 147 Cb -0.53 0.78 0.47 0.00 -1.71 0.00 0.00 66.02 65.04 1lba s SER 147 CO 0.38 -0.39 1.38 -0.90 1.20 0.00 0.00 173.24 174.91 1lba n ASP 148 N 1.53 1.17 -4.15 5.45 5.68 -1.26 -2.07 116.55 122.89 1lba n ASP 148 Ca -0.15 -0.94 -0.12 0.00 -0.50 0.00 0.00 54.79 53.08 1lba n ASP 148 Cb 0.56 0.30 -0.10 0.00 -1.14 0.00 0.00 41.12 40.74 1lba n ASP 148 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1lba s ARG 149 N -2.61 0.79 0.00 0.11 1.70 -1.26 -4.73 118.95 112.95 1lba s ARG 149 Ca 0.20 -1.21 0.00 0.00 -0.47 0.00 0.00 55.73 54.24 1lba s ARG 149 Cb 0.18 -0.28 0.00 0.00 -0.57 0.00 0.00 34.95 34.28 1lba s ARG 149 CO 0.59 0.01 0.00 0.41 -1.08 0.00 0.00 175.30 175.23