#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nb0 n HIS 10 N 0.00 1.95 -3.97 0.00 -0.00 -1.26 -4.95 115.22 106.99 1nb0 n HIS 10 Ca 0.00 -1.58 -0.33 0.00 -0.00 0.00 0.00 57.72 55.81 1nb0 n HIS 10 Cb 0.00 -0.66 -0.06 0.00 -0.00 0.00 0.00 29.99 29.27 1nb0 n HIS 10 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1nb0 s LEU 11 N -3.20 4.22 0.37 2.41 1.43 -1.26 -3.52 118.68 119.13 1nb0 s LEU 11 Ca 0.50 0.28 -0.26 0.00 -1.03 0.00 0.00 54.13 53.63 1nb0 s LEU 11 Cb 0.43 -2.49 -0.09 0.00 0.03 0.00 0.00 46.19 44.07 1nb0 s LEU 11 CO 0.06 0.27 1.12 -2.16 0.23 0.00 0.00 176.35 175.87 1nb0 s PRO 12 N -1.86 4.24 -0.17 1.29 0.04 -1.26 -5.10 135.00 132.18 1nb0 s PRO 12 Ca 0.26 1.73 -0.03 0.00 0.04 0.00 0.00 61.00 63.00 1nb0 s PRO 12 Cb -0.12 -2.77 -0.02 0.00 0.04 0.00 0.00 34.50 31.63 1nb0 s PRO 12 CO 0.17 -0.13 -0.06 -0.47 0.04 0.00 0.00 177.00 176.55 1nb0 s TYR 13 N -1.42 2.95 -0.14 0.56 5.04 -0.35 -4.93 117.35 119.04 1nb0 s TYR 13 Ca 0.54 -0.58 -0.01 0.00 -2.44 0.00 0.00 57.07 54.58 1nb0 s TYR 13 Cb -0.28 -1.98 -0.02 0.00 0.35 0.00 0.00 41.96 40.03 1nb0 s TYR 13 CO 0.36 -0.24 -0.10 -0.06 -1.34 0.00 0.00 175.55 174.16 1nb0 s PHE 14 N 0.73 2.87 0.15 4.97 0.08 -1.26 -0.55 117.98 124.97 1nb0 s PHE 14 Ca -0.03 -0.61 -0.15 0.00 0.12 0.00 0.00 56.93 56.27 1nb0 s PHE 14 Cb -0.15 -1.89 0.03 0.00 -0.57 0.00 0.00 43.02 40.43 1nb0 s PHE 14 CO 0.02 -0.21 0.41 0.00 -0.10 0.00 0.00 175.22 175.34 1nb0 s ARG 16 N -3.85 0.32 0.01 0.00 0.52 -1.26 -0.54 118.95 114.16 1nb0 s ARG 16 Ca 0.06 -0.51 -0.29 0.00 -0.52 0.00 0.00 55.73 54.48 1nb0 s ARG 16 Cb 0.01 0.12 0.10 0.00 0.52 0.00 0.00 34.95 35.70 1nb0 s ARG 16 CO -0.08 -0.06 0.95 0.20 0.02 0.00 0.00 175.30 176.33 1nb0 s GLY 17 N -1.33 -0.40 0.36 -3.53 0.00 -0.61 -4.97 107.32 96.84 1nb0 s GLY 17 Ca -0.14 0.85 -0.27 0.00 0.00 0.00 0.00 44.72 45.16 1nb0 s GLY 17 CO -0.00 0.27 1.24 1.20 0.00 0.00 0.00 173.10 175.80 1nb0 s GLN 18 N -3.07 4.24 -0.20 2.90 -0.21 -1.26 -0.22 119.66 121.84 1nb0 s GLN 18 Ca 0.07 2.04 -0.23 0.00 0.02 0.00 0.00 55.36 57.27 1nb0 s GLN 18 Cb -0.01 -2.92 -0.02 0.00 1.00 0.00 0.00 33.01 31.07 1nb0 s GLN 18 CO -0.06 -0.23 0.73 0.08 -2.12 0.00 0.00 175.29 173.69 1nb0 s VAL 19 N -1.24 4.94 0.16 1.09 1.01 -0.39 -3.83 120.40 122.15 1nb0 s VAL 19 Ca 0.52 1.39 0.08 0.00 0.00 0.00 0.00 61.98 63.97 1nb0 s VAL 19 Cb -0.36 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 31.95 1nb0 s VAL 19 CO 0.47 0.05 -0.17 0.68 0.00 0.00 0.00 175.10 176.12 1nb0 s VAL 20 N 2.16 1.73 0.58 2.92 -7.23 -0.28 -0.78 120.40 119.51 1nb0 s VAL 20 Ca 0.33 -1.93 -0.16 0.00 -1.81 0.00 0.00 61.98 58.41 1nb0 s VAL 20 Cb -0.16 -1.82 -0.04 0.00 0.56 0.00 0.00 36.38 34.92 1nb0 s VAL 20 CO 0.10 -0.37 1.06 -0.13 -0.31 0.00 0.00 175.10 175.46 1nb0 s ARG 21 N -2.89 3.33 0.00 4.82 0.52 -1.26 -3.82 118.95 119.66 1nb0 s ARG 21 Ca 0.16 1.25 0.00 0.00 -0.52 0.00 0.00 55.73 56.62 1nb0 s ARG 21 Cb -0.05 -2.03 0.00 0.00 0.52 0.00 0.00 34.95 33.39 1nb0 s ARG 21 CO 0.06 -0.80 0.00 0.41 0.02 0.00 0.00 175.30 174.99 1nb0 n GLY 22 N -0.81 2.95 3.67 -3.53 0.00 -1.26 -4.99 105.19 101.22 1nb0 n GLY 22 Ca 0.09 -2.16 -0.30 0.00 0.00 0.00 0.00 46.02 43.65 1nb0 n GLY 22 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1nb0 s PHE 23 N 0.21 2.12 0.00 1.61 0.08 -1.26 -5.01 117.98 115.73 1nb0 s PHE 23 Ca 0.00 -0.87 0.00 0.00 0.12 0.00 0.00 56.93 56.18 1nb0 s PHE 23 Cb 0.00 -1.63 0.00 0.00 -0.57 0.00 0.00 43.02 40.82 1nb0 s PHE 23 CO 0.00 0.27 0.00 0.41 -0.10 0.00 0.00 175.22 175.80 1nb0 n GLY 24 N -1.10 0.77 3.73 4.36 0.00 -1.26 -4.66 105.19 107.03 1nb0 n GLY 24 Ca -0.12 -0.79 -0.37 0.00 0.00 0.00 0.00 46.02 44.74 1nb0 n GLY 24 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nb0 s ARG 25 N 0.00 4.27 0.55 1.61 0.52 -1.26 -5.05 118.95 119.59 1nb0 s ARG 25 Ca 0.00 0.23 -0.20 0.00 -0.52 0.00 0.00 55.73 55.24 1nb0 s ARG 25 Cb 0.00 -3.42 -0.05 0.00 0.52 0.00 0.00 34.95 32.00 1nb0 s ARG 25 CO 0.00 0.23 1.22 0.20 0.02 0.00 0.00 175.30 176.97 1nb0 s GLY 26 N 0.45 2.77 0.00 -3.53 0.00 -1.26 -4.90 107.32 100.85 1nb0 s GLY 26 Ca 0.20 1.04 0.18 0.00 0.00 0.00 0.00 44.72 46.14 1nb0 s GLY 26 CO 0.06 1.46 1.53 -1.14 0.00 0.00 0.00 173.10 175.01 1nb0 n SER 27 N -1.26 0.00 -0.36 1.64 3.41 -1.26 -1.63 113.62 114.17 1nb0 n SER 27 Ca 0.12 -0.26 0.32 0.00 -0.26 0.00 0.00 58.87 58.79 1nb0 n SER 27 Cb 0.49 -0.15 0.65 0.00 -0.26 0.00 0.00 64.21 64.93 1nb0 n SER 27 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1nb0 h LYS 28 N 0.00 0.16 -0.10 4.33 1.57 -1.91 -0.84 116.57 119.78 1nb0 h LYS 28 Ca 0.00 -0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.80 1nb0 h LYS 28 Cb 0.09 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 1nb0 h LYS 28 CO 0.00 0.10 0.07 -0.56 -0.57 0.00 0.00 179.45 178.50 1nb0 h GLN 29 N 0.16 0.00 -0.02 3.15 3.07 -1.67 -0.80 115.11 119.00 1nb0 h GLN 29 Ca 0.63 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.37 1nb0 h GLN 29 Cb 2.09 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.65 1nb0 h GLN 29 CO -0.17 0.00 -0.02 1.28 0.09 0.00 0.00 178.83 180.01 1nb0 n LEU 30 N -4.41 1.79 -0.05 0.06 4.77 -0.38 -4.92 117.00 113.87 1nb0 n LEU 30 Ca -0.01 -0.60 -0.01 0.00 -0.03 0.00 0.00 56.01 55.37 1nb0 n LEU 30 Cb 0.19 -0.01 -0.00 0.00 -2.33 0.00 0.00 43.42 41.27 1nb0 n LEU 30 CO 0.34 0.30 -0.01 0.61 -1.33 0.00 0.00 177.39 177.30 1nb0 n GLY 31 N 1.22 0.48 2.47 -0.72 0.00 -0.31 -4.98 105.19 103.35 1nb0 n GLY 31 Ca 0.18 -0.42 -0.26 0.00 0.00 0.00 0.00 46.02 45.51 1nb0 n GLY 31 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1nb0 n ILE 32 N -2.93 0.66 -2.02 -0.61 5.41 -0.86 -4.97 119.36 114.03 1nb0 n ILE 32 Ca -0.01 -4.46 -0.38 0.00 1.00 0.00 0.00 62.75 58.90 1nb0 n ILE 32 Cb 0.05 -1.99 0.01 0.00 -0.71 0.00 0.00 39.64 36.99 1nb0 n ILE 32 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1nb0 s PRO 33 N -1.39 3.59 -0.15 0.38 0.04 -1.25 -4.20 135.00 132.03 1nb0 s PRO 33 Ca 0.34 2.06 -0.00 0.00 0.04 0.00 0.00 61.00 63.43 1nb0 s PRO 33 Cb 0.09 -2.45 0.03 0.00 0.04 0.00 0.00 34.50 32.21 1nb0 s PRO 33 CO -0.11 -0.77 -0.07 0.95 0.04 0.00 0.00 177.00 177.04 1nb0 s THR 34 N -1.37 1.13 0.03 1.26 -4.23 -1.26 -4.32 115.64 106.87 1nb0 s THR 34 Ca 0.65 -0.53 -0.22 0.00 -1.18 0.00 0.00 61.69 60.41 1nb0 s THR 34 Cb -0.36 -1.23 -0.06 0.00 1.34 0.00 0.00 72.50 72.20 1nb0 s THR 34 CO 0.44 0.23 0.66 0.00 -0.54 0.00 0.00 174.62 175.40 1nb0 s ALA 35 N 1.64 3.46 0.07 3.99 0.00 0.69 -4.73 121.76 126.88 1nb0 s ALA 35 Ca 0.02 0.13 0.01 0.00 0.00 0.00 0.00 51.96 52.12 1nb0 s ALA 35 Cb -0.14 -2.83 -0.04 0.00 0.00 0.00 0.00 23.12 20.11 1nb0 s ALA 35 CO -0.08 0.16 0.21 -0.80 0.00 0.00 0.00 175.76 175.25 1nb0 s ASN 36 N -0.29 6.30 0.27 0.00 0.01 -1.25 -0.70 114.94 119.28 1nb0 s ASN 36 Ca 0.33 0.24 0.07 0.00 -0.71 0.00 0.00 52.86 52.79 1nb0 s ASN 36 Cb -0.19 -1.92 -0.03 0.00 0.41 0.00 0.00 41.25 39.52 1nb0 s ASN 36 CO 0.20 0.15 0.27 -0.36 -1.51 0.00 0.00 177.10 175.85 1nb0 s PHE 37 N -1.53 3.13 0.75 2.20 0.08 -1.26 -1.12 117.98 120.23 1nb0 s PHE 37 Ca 0.35 -0.14 -0.15 0.00 0.12 0.00 0.00 56.93 57.11 1nb0 s PHE 37 Cb -0.13 -1.57 0.05 0.00 -0.57 0.00 0.00 43.02 40.81 1nb0 s PHE 37 CO 0.28 0.39 1.23 -2.14 -0.10 0.00 0.00 175.22 174.88 1nb0 s PRO 38 N -3.93 1.97 0.39 0.24 0.02 -1.25 -4.85 135.00 127.59 1nb0 s PRO 38 Ca 0.36 1.84 0.16 0.00 0.02 0.00 0.00 61.00 63.38 1nb0 s PRO 38 Cb -0.08 -1.80 1.04 0.00 0.02 0.00 0.00 34.50 33.68 1nb0 s PRO 38 CO 0.27 -1.99 1.79 1.49 -0.33 0.00 0.00 177.00 178.22 1nb0 h GLU 39 N -0.41 0.44 -0.99 5.54 4.81 -1.98 -1.52 114.58 120.47 1nb0 h GLU 39 Ca -0.48 -0.03 0.17 0.00 -0.13 0.00 0.00 59.36 58.90 1nb0 h GLU 39 Cb 1.31 -0.10 -0.10 0.00 0.63 0.00 0.00 28.75 30.49 1nb0 h GLU 39 CO 0.49 0.29 0.62 -0.56 -0.73 0.00 0.00 179.01 179.11 1nb0 h GLN 40 N 0.45 0.77 0.02 1.92 3.07 -1.99 0.15 115.11 119.50 1nb0 h GLN 40 Ca 0.57 -0.05 -0.00 0.00 0.09 0.00 0.00 58.65 59.26 1nb0 h GLN 40 Cb 1.35 -0.17 0.00 0.00 0.08 0.00 0.00 27.48 28.74 1nb0 h GLN 40 CO -0.29 0.51 -0.01 0.28 0.09 0.00 0.00 178.83 179.41 1nb0 h VAL 41 N 0.79 1.33 -0.58 1.86 2.07 -1.62 -3.07 116.25 117.04 1nb0 h VAL 41 Ca 0.54 -1.12 -0.03 0.00 0.82 0.00 0.00 66.70 66.92 1nb0 h VAL 41 Cb 0.81 2.08 -0.03 0.00 -1.52 0.00 0.00 31.29 32.64 1nb0 h VAL 41 CO -0.33 0.29 0.24 0.58 0.02 0.00 0.00 177.57 178.37 1nb0 h VAL 42 N -0.51 1.20 0.00 2.57 2.07 -1.40 -1.85 116.25 118.33 1nb0 h VAL 42 Ca -0.00 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 66.89 1nb0 h VAL 42 Cb 0.49 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1nb0 h VAL 42 CO 0.00 0.25 0.00 0.44 0.02 0.00 0.00 177.57 178.28 1nb0 h ASP 43 N 0.83 0.00 -0.11 0.57 3.32 -0.71 -2.31 116.42 118.01 1nb0 h ASP 43 Ca 0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.25 1nb0 h ASP 43 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1nb0 h ASP 43 CO -0.02 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.09 1nb0 n ASN 44 N -2.91 2.22 -4.77 6.45 3.02 -0.70 -4.89 115.26 113.68 1nb0 n ASN 44 Ca -0.01 -1.75 -0.40 0.00 -0.03 0.00 0.00 54.58 52.39 1nb0 n ASN 44 Cb 0.17 -0.06 0.00 0.00 -0.61 0.00 0.00 39.78 39.29 1nb0 n ASN 44 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1nb0 s LEU 45 N -1.83 4.24 0.82 3.41 1.43 -0.87 -5.00 118.68 120.88 1nb0 s LEU 45 Ca 0.34 2.91 -0.12 0.00 -1.03 0.00 0.00 54.13 56.22 1nb0 s LEU 45 Cb 0.20 -3.80 0.09 0.00 0.03 0.00 0.00 46.19 42.72 1nb0 s LEU 45 CO 0.31 -0.94 1.18 -2.84 0.23 0.00 0.00 176.35 174.28 1nb0 s PRO 46 N -2.21 1.59 0.34 1.29 0.02 -1.26 -4.95 135.00 129.82 1nb0 s PRO 46 Ca 0.56 1.65 0.11 0.00 0.02 0.00 0.00 61.00 63.34 1nb0 s PRO 46 Cb -0.43 -1.78 0.62 0.00 0.02 0.00 0.00 34.50 32.92 1nb0 s PRO 46 CO 0.57 -2.23 1.78 0.00 -0.33 0.00 0.00 177.00 176.80 1nb0 h ALA 47 N -1.09 1.28 0.00 -1.55 0.00 -1.98 -2.88 119.26 113.05 1nb0 h ALA 47 Ca -0.45 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.09 1nb0 h ALA 47 Cb 1.28 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1nb0 h ALA 47 CO 0.46 0.52 0.00 -0.40 0.00 0.00 0.00 179.25 179.83 1nb0 n ASP 48 N -4.06 0.09 -4.61 0.00 5.68 -1.26 -4.10 116.55 108.28 1nb0 n ASP 48 Ca -0.02 0.54 -0.43 0.00 -0.50 0.00 0.00 54.79 54.38 1nb0 n ASP 48 Cb 0.43 -0.55 -0.03 0.00 -1.14 0.00 0.00 41.12 39.84 1nb0 n ASP 48 CO 0.00 0.00 0.00 -0.51 -1.33 0.00 0.00 177.20 175.36 1nb0 s ILE 49 N -3.07 3.51 0.41 2.12 1.10 -1.09 -4.89 121.20 119.29 1nb0 s ILE 49 Ca 0.02 0.54 -0.13 0.00 -0.51 0.00 0.00 60.65 60.57 1nb0 s ILE 49 Cb 0.03 -3.60 -0.07 0.00 0.15 0.00 0.00 42.46 38.97 1nb0 s ILE 49 CO 0.10 -0.33 0.81 -0.44 -2.11 0.00 0.00 174.94 172.97 1nb0 s SER 50 N 5.50 6.59 0.79 4.50 0.01 -1.26 -5.01 113.70 124.82 1nb0 s SER 50 Ca 0.79 1.25 -0.12 0.00 1.31 0.00 0.00 55.95 59.17 1nb0 s SER 50 Cb -0.25 -2.37 0.07 0.00 0.21 0.00 0.00 66.02 63.68 1nb0 s SER 50 CO 0.33 -0.40 1.15 0.42 0.41 0.00 0.00 173.24 175.14 1nb0 s THR 51 N -2.35 2.61 -4.72 1.44 -4.23 -1.26 -4.85 115.64 102.27 1nb0 s THR 51 Ca 0.53 0.24 0.00 0.00 -1.18 0.00 0.00 61.69 61.28 1nb0 s THR 51 Cb -0.10 -2.61 0.00 0.00 1.34 0.00 0.00 72.50 71.12 1nb0 s THR 51 CO 0.29 -0.22 0.00 0.61 -0.54 0.00 0.00 174.62 174.76 1nb0 n GLY 52 N -0.17 0.96 3.54 3.99 0.00 0.07 -4.40 105.19 109.17 1nb0 n GLY 52 Ca 0.11 -1.92 -0.34 0.00 0.00 0.00 0.00 46.02 43.87 1nb0 n GLY 52 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nb0 s ILE 53 N -2.23 4.13 0.39 -0.61 -1.09 0.53 -0.72 121.20 121.60 1nb0 s ILE 53 Ca 0.00 -0.27 0.05 0.00 -2.23 0.00 0.00 60.65 58.20 1nb0 s ILE 53 Cb 0.00 -2.82 -0.07 0.00 -1.58 0.00 0.00 42.46 37.99 1nb0 s ILE 53 CO 0.00 0.49 0.03 -0.31 -1.23 0.00 0.00 174.94 173.92 1nb0 s TYR 54 N 0.34 2.23 0.07 3.97 1.51 0.67 0.04 117.35 126.16 1nb0 s TYR 54 Ca -0.02 -0.83 -0.00 0.00 -1.01 0.00 0.00 57.07 55.21 1nb0 s TYR 54 Cb -0.14 -1.55 -0.04 0.00 -0.11 0.00 0.00 41.96 40.12 1nb0 s TYR 54 CO 0.02 0.23 -0.04 1.52 -1.11 0.00 0.00 175.55 176.17 1nb0 s TYR 55 N -2.96 0.65 -0.94 2.71 1.13 -0.26 -0.79 117.35 116.88 1nb0 s TYR 55 Ca 0.33 -1.01 0.00 0.00 -1.41 0.00 0.00 57.07 54.98 1nb0 s TYR 55 Cb 0.08 -0.43 0.00 0.00 -1.10 0.00 0.00 41.96 40.51 1nb0 s TYR 55 CO 0.16 -0.30 0.00 0.41 -2.51 0.00 0.00 175.55 173.31 1nb0 n GLY 56 N 0.07 -0.74 3.24 5.49 0.00 -0.67 -0.46 105.19 112.13 1nb0 n GLY 56 Ca -0.13 -0.38 -0.23 0.00 0.00 0.00 0.00 46.02 45.28 1nb0 n GLY 56 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1nb0 s TRP 57 N -3.92 1.61 -0.01 1.61 0.52 -0.04 -1.26 118.94 117.46 1nb0 s TRP 57 Ca 0.00 -0.41 -0.10 0.00 0.02 0.00 0.00 56.10 55.61 1nb0 s TRP 57 Cb 0.00 -0.91 0.01 0.00 -1.15 0.00 0.00 33.47 31.42 1nb0 s TRP 57 CO 0.00 0.14 0.20 0.00 0.02 0.00 0.00 176.95 177.30 1nb0 s ALA 58 N -1.09 -0.48 0.06 0.98 0.00 0.48 -0.81 121.76 120.90 1nb0 s ALA 58 Ca 0.04 0.07 0.01 0.00 0.00 0.00 0.00 51.96 52.08 1nb0 s ALA 58 Cb -0.10 0.06 -0.04 0.00 0.00 0.00 0.00 23.12 23.05 1nb0 s ALA 58 CO 0.03 -0.22 -0.05 -1.54 0.00 0.00 0.00 175.76 173.98 1nb0 s SER 59 N -1.25 0.78 -0.17 0.00 1.04 -0.42 -0.45 113.70 113.23 1nb0 s SER 59 Ca -0.13 -0.86 -0.01 0.00 0.48 0.00 0.00 55.95 55.43 1nb0 s SER 59 Cb -0.06 0.12 -0.01 0.00 0.10 0.00 0.00 66.02 66.16 1nb0 s SER 59 CO 0.02 -0.44 -0.11 -0.69 0.98 0.00 0.00 173.24 173.00 1nb0 s VAL 60 N -3.04 3.02 0.00 5.02 1.01 -1.26 -0.44 120.40 124.71 1nb0 s VAL 60 Ca 0.03 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.37 1nb0 s VAL 60 Cb 0.01 -2.31 0.00 0.00 0.00 0.00 0.00 36.38 34.09 1nb0 s VAL 60 CO -0.05 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.15 1nb0 n GLY 61 N 4.10 3.23 1.28 4.51 0.00 0.45 -0.48 105.19 118.28 1nb0 n GLY 61 Ca -0.19 0.19 0.10 0.00 0.00 0.00 0.00 46.02 46.12 1nb0 n GLY 61 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1nb0 n SER 62 N 5.05 3.73 -4.03 1.61 3.41 -1.25 -4.69 113.62 117.45 1nb0 n SER 62 Ca 0.00 -2.11 -0.30 0.00 -0.26 0.00 0.00 58.87 56.20 1nb0 n SER 62 Cb 0.00 -0.47 0.22 0.00 -0.26 0.00 0.00 64.21 63.70 1nb0 n SER 62 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1nb0 s GLY 63 N -0.96 1.59 0.78 5.00 0.00 0.37 -4.65 107.32 109.44 1nb0 s GLY 63 Ca 0.44 -0.84 -0.11 0.00 0.00 0.00 0.00 44.72 44.21 1nb0 s GLY 63 CO 0.28 -0.02 1.09 0.99 0.00 0.00 0.00 173.10 175.43 1nb0 s ASP 64 N -3.87 4.63 -0.14 1.64 1.01 -1.26 -4.62 116.67 114.06 1nb0 s ASP 64 Ca 0.70 1.46 -0.20 0.00 0.71 0.00 0.00 52.55 55.22 1nb0 s ASP 64 Cb -0.11 -2.23 -0.03 0.00 1.01 0.00 0.00 42.92 41.55 1nb0 s ASP 64 CO 0.56 -1.90 0.59 -0.69 0.21 0.00 0.00 175.17 173.94 1nb0 s VAL 65 N -3.08 5.09 0.25 -1.27 1.01 -1.26 -4.40 120.40 116.74 1nb0 s VAL 65 Ca 0.60 1.16 0.07 0.00 0.00 0.00 0.00 61.98 63.82 1nb0 s VAL 65 Cb -0.15 -3.92 -0.05 0.00 0.00 0.00 0.00 36.38 32.26 1nb0 s VAL 65 CO 0.55 0.23 -0.10 -1.00 0.00 0.00 0.00 175.10 174.77 1nb0 s HIS 66 N 1.16 1.87 0.62 5.22 3.76 0.40 -4.92 115.29 123.40 1nb0 s HIS 66 Ca 0.30 -0.63 -0.16 0.00 -0.15 0.00 0.00 55.06 54.42 1nb0 s HIS 66 Cb -0.16 -0.98 -0.02 0.00 1.11 0.00 0.00 32.58 32.53 1nb0 s HIS 66 CO 0.12 0.34 1.11 0.15 -0.85 0.00 0.00 174.74 175.61 1nb0 s LYS 67 N -3.68 3.03 0.14 1.40 1.02 -1.26 -0.39 119.74 119.99 1nb0 s LYS 67 Ca 0.27 1.43 -0.18 0.00 0.02 0.00 0.00 55.97 57.51 1nb0 s LYS 67 Cb 0.01 -1.98 0.04 0.00 -0.52 0.00 0.00 37.83 35.39 1nb0 s LYS 67 CO 0.10 -1.08 0.46 0.00 -0.92 0.00 0.00 175.35 173.91 1nb0 s MET 68 N -3.85 1.14 0.06 1.68 0.23 -0.39 -0.59 119.30 117.58 1nb0 s MET 68 Ca 0.68 -0.66 0.09 0.00 -1.03 0.00 0.00 55.69 54.78 1nb0 s MET 68 Cb -0.21 0.50 -0.03 0.00 -1.53 0.00 0.00 34.83 33.56 1nb0 s MET 68 CO 0.36 -0.46 -0.26 0.14 -2.03 0.00 0.00 175.02 172.77 1nb0 s VAL 69 N -3.80 2.13 -0.04 5.16 -7.23 -0.49 -1.67 120.40 114.46 1nb0 s VAL 69 Ca 0.03 -1.43 0.05 0.00 -1.81 0.00 0.00 61.98 58.82 1nb0 s VAL 69 Cb 0.01 -1.83 -0.00 0.00 0.56 0.00 0.00 36.38 35.12 1nb0 s VAL 69 CO -0.12 0.32 -0.18 -0.69 -0.31 0.00 0.00 175.10 174.12 1nb0 s VAL 70 N -0.84 1.51 -0.22 1.32 1.01 0.03 -0.87 120.40 122.34 1nb0 s VAL 70 Ca 0.12 -0.76 -0.08 0.00 0.00 0.00 0.00 61.98 61.26 1nb0 s VAL 70 Cb -0.10 -1.30 -0.04 0.00 0.00 0.00 0.00 36.38 34.95 1nb0 s VAL 70 CO 0.03 0.43 0.08 -0.55 0.00 0.00 0.00 175.10 175.09 1nb0 s SER 71 N 0.01 5.46 -0.20 3.32 0.15 0.02 -0.24 113.70 122.22 1nb0 s SER 71 Ca -0.04 -0.06 -0.05 0.00 0.70 0.00 0.00 55.95 56.51 1nb0 s SER 71 Cb -0.12 -1.97 -0.02 0.00 -1.71 0.00 0.00 66.02 62.20 1nb0 s SER 71 CO 0.02 0.05 -0.01 -0.63 1.20 0.00 0.00 173.24 173.88 1nb0 s ILE 72 N 1.10 3.88 0.25 6.45 -1.09 0.10 -1.89 121.20 130.00 1nb0 s ILE 72 Ca 0.05 -0.34 0.05 0.00 -2.23 0.00 0.00 60.65 58.17 1nb0 s ILE 72 Cb -0.14 -2.75 -0.02 0.00 -1.58 0.00 0.00 42.46 37.97 1nb0 s ILE 72 CO 0.04 0.44 0.16 0.61 -1.23 0.00 0.00 174.94 174.95 1nb0 n GLY 73 N 4.21 3.34 3.83 6.18 0.00 -0.53 -0.75 105.19 121.47 1nb0 n GLY 73 Ca -0.17 -1.90 -0.38 0.00 0.00 0.00 0.00 46.02 43.57 1nb0 n GLY 73 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1nb0 s TRP 74 N -2.83 3.68 -0.35 1.61 0.52 -1.26 -0.67 118.94 119.63 1nb0 s TRP 74 Ca 0.23 0.89 -0.22 0.00 0.02 0.00 0.00 56.10 57.02 1nb0 s TRP 74 Cb 0.01 -2.26 0.01 0.00 -1.15 0.00 0.00 33.47 30.08 1nb0 s TRP 74 CO 0.16 0.60 0.73 1.21 0.02 0.00 0.00 176.95 179.67 1nb0 s ASN 75 N -0.84 6.52 0.54 2.95 3.84 0.13 -4.66 114.94 123.42 1nb0 s ASN 75 Ca 0.22 0.31 0.21 0.00 0.21 0.00 0.00 52.86 53.82 1nb0 s ASN 75 Cb -0.16 -2.37 1.40 0.00 -0.55 0.00 0.00 41.25 39.57 1nb0 s ASN 75 CO 0.11 -0.67 2.10 -0.65 -2.79 0.00 0.00 177.10 175.21 1nb0 h PRO 76 N 8.43 0.00 0.00 0.43 0.11 -1.97 -3.36 132.00 135.63 1nb0 h PRO 76 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1nb0 h PRO 76 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1nb0 h PRO 76 CO 0.88 0.00 -1.14 0.66 -0.21 0.00 0.00 178.00 178.19 1nb0 n TYR 77 N -4.34 0.00 -3.98 0.65 4.01 -1.26 -4.92 117.16 107.32 1nb0 n TYR 77 Ca 0.02 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.47 1nb0 n TYR 77 Cb 0.28 -0.08 -0.05 0.00 -0.31 0.00 0.00 39.34 39.18 1nb0 n TYR 77 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1nb0 s TYR 78 N -3.08 3.38 0.69 -0.72 2.02 -1.26 -5.09 117.35 113.30 1nb0 s TYR 78 Ca 0.06 0.14 -0.15 0.00 -0.37 0.00 0.00 57.07 56.75 1nb0 s TYR 78 Cb 0.16 -1.67 0.02 0.00 -0.40 0.00 0.00 41.96 40.06 1nb0 s TYR 78 CO 0.87 0.55 1.15 -1.59 -1.57 0.00 0.00 175.55 174.96 1nb0 s LYS 79 N -2.72 2.49 0.27 -0.62 -2.85 -1.26 -4.62 119.74 110.42 1nb0 s LYS 79 Ca 0.33 1.56 0.00 0.00 -1.00 0.00 0.00 55.97 56.86 1nb0 s LYS 79 Cb -0.12 -1.90 0.00 0.00 -2.06 0.00 0.00 37.83 33.75 1nb0 s LYS 79 CO 0.26 -1.53 0.00 0.09 0.10 0.00 0.00 175.35 174.27 1nb0 n ASN 80 N -2.56 -5.69 -4.44 0.03 3.02 -1.26 -4.55 115.26 99.81 1nb0 n ASN 80 Ca 0.12 0.52 -0.44 0.00 -0.03 0.00 0.00 54.58 54.74 1nb0 n ASN 80 Cb 0.51 -2.97 -0.01 0.00 -0.61 0.00 0.00 39.78 36.69 1nb0 n ASN 80 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1nb0 s THR 81 N -2.28 4.96 0.14 3.41 -4.23 -1.26 -5.00 115.64 111.38 1nb0 s THR 81 Ca 0.00 -2.11 -0.06 0.00 -1.18 0.00 0.00 61.69 58.34 1nb0 s THR 81 Cb 0.00 -4.80 -0.06 0.00 1.34 0.00 0.00 72.50 68.99 1nb0 s THR 81 CO 0.00 -1.50 0.40 -0.54 -0.54 0.00 0.00 174.62 172.44 1nb0 s LYS 82 N 1.92 3.66 0.45 3.99 -0.14 -1.26 -4.99 119.74 123.37 1nb0 s LYS 82 Ca 0.35 -0.01 0.08 0.00 -1.36 0.00 0.00 55.97 55.03 1nb0 s LYS 82 Cb -0.05 -2.85 0.02 0.00 -1.68 0.00 0.00 37.83 33.27 1nb0 s LYS 82 CO -0.06 0.47 0.62 0.15 -0.76 0.00 0.00 175.35 175.77 1nb0 s LYS 83 N -2.54 2.72 0.15 1.68 1.02 -1.26 0.20 119.74 121.70 1nb0 s LYS 83 Ca 0.40 -1.28 0.08 0.00 0.02 0.00 0.00 55.97 55.19 1nb0 s LYS 83 Cb -0.12 -2.72 -0.04 0.00 -0.52 0.00 0.00 37.83 34.43 1nb0 s LYS 83 CO 0.23 -0.40 -0.17 -1.54 -0.92 0.00 0.00 175.35 172.55 1nb0 s SER 84 N -4.41 2.43 -0.08 2.83 1.04 0.16 -4.45 113.70 111.22 1nb0 s SER 84 Ca 0.56 -0.83 -0.05 0.00 0.48 0.00 0.00 55.95 56.11 1nb0 s SER 84 Cb -0.09 -0.12 0.03 0.00 0.10 0.00 0.00 66.02 65.93 1nb0 s SER 84 CO 0.34 -0.07 0.19 -0.32 0.98 0.00 0.00 173.24 174.37 1nb0 s MET 85 N -2.70 0.18 -0.08 4.02 0.00 -1.26 -1.45 119.30 118.01 1nb0 s MET 85 Ca 0.13 0.36 -0.07 0.00 0.00 0.00 0.00 55.69 56.11 1nb0 s MET 85 Cb -0.06 -0.03 0.02 0.00 0.00 0.00 0.00 34.83 34.76 1nb0 s MET 85 CO 0.05 -0.10 0.22 -1.83 0.00 0.00 0.00 175.02 173.36 1nb0 s GLU 86 N 0.70 0.25 -0.10 4.11 -1.05 -0.79 -4.24 118.70 117.57 1nb0 s GLU 86 Ca -0.05 0.33 0.03 0.00 -0.15 0.00 0.00 54.97 55.13 1nb0 s GLU 86 Cb -0.06 0.09 0.00 0.00 -0.44 0.00 0.00 34.13 33.72 1nb0 s GLU 86 CO -0.04 -0.05 -0.22 0.99 0.95 0.00 0.00 175.26 176.90 1nb0 s THR 87 N 0.25 1.93 -0.20 1.83 2.01 0.12 -0.80 115.64 120.78 1nb0 s THR 87 Ca -0.01 -0.93 -0.05 0.00 0.31 0.00 0.00 61.69 61.00 1nb0 s THR 87 Cb -0.03 -1.68 -0.03 0.00 0.01 0.00 0.00 72.50 70.77 1nb0 s THR 87 CO -0.01 0.53 0.01 -2.28 -0.69 0.00 0.00 174.62 172.18 1nb0 s HIS 88 N 0.50 3.06 -0.07 4.92 5.04 -0.05 -0.22 115.29 128.46 1nb0 s HIS 88 Ca -0.16 -0.40 -0.14 0.00 -1.54 0.00 0.00 55.06 52.82 1nb0 s HIS 88 Cb -0.17 -2.08 -0.05 0.00 0.04 0.00 0.00 32.58 30.32 1nb0 s HIS 88 CO 0.06 -0.20 0.37 0.42 -2.34 0.00 0.00 174.74 173.05 1nb0 s ILE 89 N 0.93 5.17 -1.29 0.89 1.01 -1.26 -1.39 121.20 125.26 1nb0 s ILE 89 Ca 0.01 0.73 -0.11 0.00 0.00 0.00 0.00 60.65 61.28 1nb0 s ILE 89 Cb -0.14 -3.68 0.15 0.00 0.01 0.00 0.00 42.46 38.79 1nb0 s ILE 89 CO 0.02 0.49 1.80 0.23 0.00 0.00 0.00 174.94 177.48 1nb0 n MET 90 N 2.62 3.45 -3.64 2.79 2.81 0.24 -4.78 117.12 120.61 1nb0 n MET 90 Ca -0.13 -3.49 -0.14 0.00 -1.81 0.00 0.00 57.70 52.14 1nb0 n MET 90 Cb 0.52 -3.03 -0.07 0.00 -0.71 0.00 0.00 33.22 29.94 1nb0 n MET 90 CO 0.00 0.00 0.00 -1.58 1.51 0.00 0.00 175.97 175.90 1nb0 s HIS 91 N 1.20 -0.78 -0.37 2.03 5.04 -1.26 -4.49 115.29 116.66 1nb0 s HIS 91 Ca 0.42 1.89 -0.22 0.00 -1.54 0.00 0.00 55.06 55.61 1nb0 s HIS 91 Cb 0.07 0.27 0.01 0.00 0.04 0.00 0.00 32.58 32.97 1nb0 s HIS 91 CO -0.00 -0.38 0.71 0.99 -2.34 0.00 0.00 174.74 173.73 1nb0 s THR 92 N 0.41 4.80 0.12 0.89 2.01 -1.26 -5.04 115.64 117.57 1nb0 s THR 92 Ca -0.00 0.70 -0.13 0.00 0.31 0.00 0.00 61.69 62.56 1nb0 s THR 92 Cb -0.05 -4.16 -0.07 0.00 0.01 0.00 0.00 72.50 68.24 1nb0 s THR 92 CO 0.00 -0.41 0.50 -0.36 -0.69 0.00 0.00 174.62 173.67 1nb0 s PHE 93 N 2.93 3.60 -0.71 4.92 0.40 -1.26 -4.99 117.98 122.87 1nb0 s PHE 93 Ca 0.28 0.97 0.25 0.00 -0.60 0.00 0.00 56.93 57.83 1nb0 s PHE 93 Cb -0.14 -2.30 0.52 0.00 0.51 0.00 0.00 43.02 41.61 1nb0 s PHE 93 CO 0.16 0.47 1.47 0.36 0.70 0.00 0.00 175.22 178.38 1nb0 n LYS 94 N 0.87 0.24 -3.82 0.44 -0.00 -1.26 -4.89 118.16 109.74 1nb0 n LYS 94 Ca -0.06 0.11 -0.12 0.00 -0.00 0.00 0.00 58.31 58.23 1nb0 n LYS 94 Cb 0.52 -1.69 -0.10 0.00 -0.00 0.00 0.00 35.03 33.76 1nb0 n LYS 94 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 1nb0 s GLU 95 N -3.13 0.49 0.95 -1.58 2.12 -1.26 -5.15 118.70 111.14 1nb0 s GLU 95 Ca 0.08 -0.17 -0.11 0.00 0.36 0.00 0.00 54.97 55.13 1nb0 s GLU 95 Cb 0.14 0.21 0.16 0.00 0.26 0.00 0.00 34.13 34.90 1nb0 s GLU 95 CO 0.68 -0.12 1.10 -0.51 -0.54 0.00 0.00 175.26 175.88 1nb0 s ASP 96 N -1.02 2.75 -0.28 -1.70 1.01 -1.26 -5.00 116.67 111.18 1nb0 s ASP 96 Ca -0.11 1.87 0.18 0.00 0.71 0.00 0.00 52.55 55.20 1nb0 s ASP 96 Cb -0.06 -2.43 0.49 0.00 1.01 0.00 0.00 42.92 41.93 1nb0 s ASP 96 CO 0.02 -3.15 1.12 2.22 0.21 0.00 0.00 175.17 175.59 1nb0 n PHE 97 N -4.25 1.70 -1.79 4.23 1.16 -1.26 -5.08 117.46 112.17 1nb0 n PHE 97 Ca 0.09 -2.24 -0.41 0.00 -1.87 0.00 0.00 57.45 53.02 1nb0 n PHE 97 Cb 0.53 -0.26 -0.01 0.00 -1.61 0.00 0.00 39.48 38.13 1nb0 n PHE 97 CO 0.00 0.00 0.00 0.71 -1.87 0.00 0.00 176.76 175.60 1nb0 s TYR 98 N -3.70 2.64 0.00 2.97 2.02 -1.26 -2.22 117.35 117.80 1nb0 s TYR 98 Ca 0.34 1.02 0.00 0.00 -0.37 0.00 0.00 57.07 58.05 1nb0 s TYR 98 Cb 0.36 -4.05 0.00 0.00 -0.40 0.00 0.00 41.96 37.87 1nb0 s TYR 98 CO -0.02 -3.24 0.00 0.41 -1.57 0.00 0.00 175.55 171.13 1nb0 n GLY 99 N 1.10 2.88 3.86 0.71 0.00 0.04 -4.94 105.19 108.84 1nb0 n GLY 99 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 1nb0 n GLY 99 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nb0 s GLU 100 N -0.44 2.84 -0.24 1.61 0.41 -0.94 -4.57 118.70 117.37 1nb0 s GLU 100 Ca 0.00 0.61 -0.21 0.00 -0.41 0.00 0.00 54.97 54.97 1nb0 s GLU 100 Cb 0.00 -2.01 -0.02 0.00 -1.78 0.00 0.00 34.13 30.32 1nb0 s GLU 100 CO 0.00 -1.08 0.63 0.42 -0.49 0.00 0.00 175.26 174.75 1nb0 s ILE 101 N -3.24 4.99 -0.18 -1.63 -1.09 -1.26 -1.26 121.20 117.53 1nb0 s ILE 101 Ca 0.58 1.16 -0.16 0.00 -2.23 0.00 0.00 60.65 59.99 1nb0 s ILE 101 Cb -0.12 -3.94 -0.04 0.00 -1.58 0.00 0.00 42.46 36.78 1nb0 s ILE 101 CO 0.53 0.05 0.42 -0.22 -1.23 0.00 0.00 174.94 174.49 1nb0 s LEU 102 N 2.36 4.19 -0.25 2.97 2.96 0.69 -0.41 118.68 131.19 1nb0 s LEU 102 Ca 0.27 0.59 -0.08 0.00 -0.22 0.00 0.00 54.13 54.69 1nb0 s LEU 102 Cb -0.16 -2.56 -0.03 0.00 0.50 0.00 0.00 46.19 43.94 1nb0 s LEU 102 CO 0.09 -0.06 0.09 0.20 -1.32 0.00 0.00 176.35 175.36 1nb0 s ASN 103 N 0.91 5.38 0.03 3.68 0.01 0.42 -1.58 114.94 123.79 1nb0 s ASN 103 Ca 0.21 -0.13 0.07 0.00 -0.71 0.00 0.00 52.86 52.30 1nb0 s ASN 103 Cb -0.15 -1.97 -0.02 0.00 0.41 0.00 0.00 41.25 39.52 1nb0 s ASN 103 CO 0.08 -0.01 -0.21 0.68 -1.51 0.00 0.00 177.10 176.13 1nb0 s VAL 104 N 1.50 1.65 -0.25 1.60 -7.23 0.29 -1.31 120.40 116.66 1nb0 s VAL 104 Ca 0.06 -1.11 0.02 0.00 -1.81 0.00 0.00 61.98 59.14 1nb0 s VAL 104 Cb -0.15 -1.42 0.06 0.00 0.56 0.00 0.00 36.38 35.43 1nb0 s VAL 104 CO 0.05 0.27 -0.10 0.00 -0.31 0.00 0.00 175.10 175.01 1nb0 s ALA 105 N -0.72 2.39 -0.28 1.32 0.00 0.01 -1.43 121.76 123.05 1nb0 s ALA 105 Ca 0.08 -1.63 -0.20 0.00 0.00 0.00 0.00 51.96 50.20 1nb0 s ALA 105 Cb -0.09 -1.53 -0.01 0.00 0.00 0.00 0.00 23.12 21.49 1nb0 s ALA 105 CO 0.01 -1.16 0.64 0.42 0.00 0.00 0.00 175.76 175.66 1nb0 s ILE 106 N 1.19 4.95 -0.06 0.00 1.01 0.28 -0.86 121.20 127.71 1nb0 s ILE 106 Ca -0.08 0.98 0.10 0.00 0.00 0.00 0.00 60.65 61.65 1nb0 s ILE 106 Cb -0.19 -3.98 -0.14 0.00 0.01 0.00 0.00 42.46 38.16 1nb0 s ILE 106 CO -0.06 -0.08 0.12 1.33 0.00 0.00 0.00 174.94 176.26 1nb0 n VAL 107 N 5.32 0.39 -3.66 2.92 0.24 0.40 -1.21 118.33 122.73 1nb0 n VAL 107 Ca -0.01 -0.35 -0.12 0.00 -2.04 0.00 0.00 64.34 61.83 1nb0 n VAL 107 Cb 0.49 -0.31 -0.06 0.00 -1.47 0.00 0.00 33.84 32.49 1nb0 n VAL 107 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1nb0 s GLY 108 N -3.80 -0.26 -0.16 7.63 0.00 -0.97 -4.70 107.32 105.05 1nb0 s GLY 108 Ca -0.04 0.16 -0.06 0.00 0.00 0.00 0.00 44.72 44.77 1nb0 s GLY 108 CO 0.42 -0.09 0.05 -0.47 0.00 0.00 0.00 173.10 173.01 1nb0 s TYR 109 N -2.96 3.26 -0.19 1.90 5.04 -1.26 -1.11 117.35 122.03 1nb0 s TYR 109 Ca -0.02 0.10 -0.16 0.00 -2.44 0.00 0.00 57.07 54.55 1nb0 s TYR 109 Cb 0.00 -2.02 -0.11 0.00 0.35 0.00 0.00 41.96 40.17 1nb0 s TYR 109 CO -0.06 0.23 -0.04 1.28 -1.34 0.00 0.00 175.55 175.62 1nb0 n LEU 110 N 3.23 1.86 -3.49 6.97 4.77 0.11 -4.96 117.00 125.49 1nb0 n LEU 110 Ca -0.17 0.48 -0.10 0.00 -0.03 0.00 0.00 56.01 56.19 1nb0 n LEU 110 Cb 0.53 -0.90 -0.02 0.00 -2.33 0.00 0.00 43.42 40.69 1nb0 n LEU 110 CO 0.34 -0.00 0.60 0.00 -1.33 0.00 0.00 177.39 177.00 1nb0 s ARG 111 N -2.38 0.94 0.92 3.23 1.70 -1.14 -5.00 118.95 117.23 1nb0 s ARG 111 Ca -0.25 -0.29 -0.11 0.00 -0.47 0.00 0.00 55.73 54.61 1nb0 s ARG 111 Cb 0.05 0.44 0.14 0.00 -0.57 0.00 0.00 34.95 35.01 1nb0 s ARG 111 CO 0.43 -0.40 1.09 -1.25 -1.08 0.00 0.00 175.30 174.10 1nb0 s PRO 112 N -3.07 1.07 0.58 3.89 0.04 -1.26 -0.34 135.00 135.91 1nb0 s PRO 112 Ca 0.03 1.06 -0.20 0.00 0.04 0.00 0.00 61.00 61.92 1nb0 s PRO 112 Cb -0.01 -1.77 -0.03 0.00 0.04 0.00 0.00 34.50 32.73 1nb0 s PRO 112 CO -0.08 -2.44 1.33 -1.21 0.04 0.00 0.00 177.00 174.63 1nb0 s GLU 113 N -4.79 2.92 0.10 4.56 2.02 -1.26 -4.64 118.70 117.61 1nb0 s GLU 113 Ca 0.64 2.15 0.04 0.00 0.02 0.00 0.00 54.97 57.82 1nb0 s GLU 113 Cb -0.20 -2.09 -0.04 0.00 0.10 0.00 0.00 34.13 31.91 1nb0 s GLU 113 CO 0.58 -1.34 -0.10 0.15 0.02 0.00 0.00 175.26 174.57 1nb0 s LYS 114 N -3.10 0.86 -0.10 1.61 1.02 -1.26 -5.04 119.74 113.72 1nb0 s LYS 114 Ca 0.76 -1.16 -0.16 0.00 0.02 0.00 0.00 55.97 55.43 1nb0 s LYS 114 Cb -0.39 -0.56 -0.05 0.00 -0.52 0.00 0.00 37.83 36.32 1nb0 s LYS 114 CO 0.44 0.09 0.39 -0.80 -0.92 0.00 0.00 175.35 174.55 1nb0 s ASN 115 N -2.44 6.63 0.01 2.83 0.01 -1.26 -5.08 114.94 115.63 1nb0 s ASN 115 Ca 0.06 0.74 0.06 0.00 -0.71 0.00 0.00 52.86 53.01 1nb0 s ASN 115 Cb -0.03 -2.24 -0.03 0.00 0.41 0.00 0.00 41.25 39.36 1nb0 s ASN 115 CO 0.00 0.12 -0.16 -0.36 -1.51 0.00 0.00 177.10 175.19 1nb0 s PHE 116 N 0.11 2.61 -2.43 2.20 0.08 -1.26 -5.03 117.98 114.26 1nb0 s PHE 116 Ca 0.22 -0.22 0.22 0.00 0.12 0.00 0.00 56.93 57.27 1nb0 s PHE 116 Cb -0.15 -1.52 0.62 0.00 -0.57 0.00 0.00 43.02 41.40 1nb0 s PHE 116 CO 0.09 0.23 1.49 -0.40 -0.10 0.00 0.00 175.22 176.53 1nb0 n ASP 117 N 1.78 2.34 -3.57 1.36 5.68 -1.26 -4.94 116.55 117.93 1nb0 n ASP 117 Ca -0.16 -1.81 -0.09 0.00 -0.50 0.00 0.00 54.79 52.23 1nb0 n ASP 117 Cb 0.52 -0.13 -0.02 0.00 -1.14 0.00 0.00 41.12 40.35 1nb0 n ASP 117 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1nb0 s SER 118 N -1.62 -0.39 0.34 -1.12 1.04 -1.26 -5.01 113.70 105.68 1nb0 s SER 118 Ca 0.34 -0.16 0.06 0.00 0.48 0.00 0.00 55.95 56.67 1nb0 s SER 118 Cb 0.20 0.53 0.62 0.00 0.10 0.00 0.00 66.02 67.46 1nb0 s SER 118 CO 0.29 -0.90 1.85 -0.07 0.98 0.00 0.00 173.24 175.39 1nb0 h LEU 119 N 2.00 0.39 -0.29 2.42 3.38 -1.99 -1.35 115.31 119.89 1nb0 h LEU 119 Ca -0.26 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 57.63 1nb0 h LEU 119 Cb 1.26 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.89 1nb0 h LEU 119 CO 0.31 0.54 0.17 -0.08 0.09 0.00 0.00 178.44 179.47 1nb0 h GLU 120 N 0.39 0.33 -0.29 1.13 4.81 -1.99 0.16 114.58 119.12 1nb0 h GLU 120 Ca 0.08 -0.02 -0.15 0.00 -0.13 0.00 0.00 59.36 59.13 1nb0 h GLU 120 Cb 0.43 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 1nb0 h GLU 120 CO 0.02 0.22 -0.43 0.66 -0.73 0.00 0.00 179.01 178.75 1nb0 h SER 121 N 0.34 0.79 -0.05 1.04 4.64 -1.90 -1.90 113.55 116.52 1nb0 h SER 121 Ca 0.11 -0.37 0.01 0.00 -0.47 0.00 0.00 61.79 61.07 1nb0 h SER 121 Cb -0.00 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 61.85 1nb0 h SER 121 CO -0.05 1.11 -0.03 0.25 -0.87 0.00 0.00 176.83 177.24 1nb0 h LEU 122 N 0.59 -0.10 -0.53 5.97 5.85 -0.99 -0.77 115.31 125.34 1nb0 h LEU 122 Ca 0.04 0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.67 1nb0 h LEU 122 Cb 0.99 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.05 1nb0 h LEU 122 CO 0.09 -0.04 -0.11 0.40 -0.34 0.00 0.00 178.44 178.44 1nb0 h ILE 123 N -0.03 1.27 -0.86 4.05 2.04 -0.65 -0.62 117.51 122.71 1nb0 h ILE 123 Ca 0.03 -1.27 -0.02 0.00 1.00 0.00 0.00 64.86 64.61 1nb0 h ILE 123 Cb 0.08 0.99 -0.04 0.00 -0.74 0.00 0.00 36.82 37.11 1nb0 h ILE 123 CO -0.07 0.45 0.47 -1.28 0.00 0.00 0.00 178.15 177.72 1nb0 h SER 124 N 0.89 1.07 -0.35 1.72 0.87 -1.28 -0.91 113.55 115.55 1nb0 h SER 124 Ca 0.14 -0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 60.59 1nb0 h SER 124 Cb 0.68 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.35 1nb0 h SER 124 CO 0.05 0.86 0.18 0.00 -0.53 0.00 0.00 176.83 177.40 1nb0 h ALA 125 N 1.25 0.45 -0.11 6.23 0.00 -0.61 -0.68 119.26 125.79 1nb0 h ALA 125 Ca 0.30 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 1nb0 h ALA 125 Cb 0.03 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1nb0 h ALA 125 CO -0.05 -0.00 0.07 0.82 0.00 0.00 0.00 179.25 180.08 1nb0 h ILE 126 N 0.44 1.08 -0.92 0.00 2.04 -0.81 0.03 117.51 119.38 1nb0 h ILE 126 Ca 0.12 -0.21 0.05 0.00 1.00 0.00 0.00 64.86 65.82 1nb0 h ILE 126 Cb 0.09 1.01 -0.06 0.00 -0.74 0.00 0.00 36.82 37.12 1nb0 h ILE 126 CO -0.02 0.07 0.58 1.56 0.00 0.00 0.00 178.15 180.35 1nb0 h GLN 127 N 0.10 1.05 -0.29 2.37 4.20 -1.04 -1.05 115.11 120.45 1nb0 h GLN 127 Ca 0.04 -0.06 -0.11 0.00 0.06 0.00 0.00 58.65 58.58 1nb0 h GLN 127 Cb 0.06 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 27.59 1nb0 h GLN 127 CO -0.01 0.70 -0.27 0.78 -0.67 0.00 0.00 178.83 179.36 1nb0 h GLY 128 N 1.08 0.63 0.97 3.46 0.00 -0.71 -1.63 103.07 106.87 1nb0 h GLY 128 Ca 0.39 -0.54 -0.01 0.00 0.00 0.00 0.00 47.33 47.17 1nb0 h GLY 128 CO -0.16 0.49 0.19 -0.55 0.00 0.00 0.00 176.54 176.52 1nb0 h ASP 129 N 0.51 0.42 -0.58 0.19 3.32 -0.39 -0.88 116.42 119.01 1nb0 h ASP 129 Ca 0.07 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 1nb0 h ASP 129 Cb 0.73 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 40.15 1nb0 h ASP 129 CO 0.06 0.38 0.33 0.40 -1.72 0.00 0.00 179.24 178.68 1nb0 h ILE 130 N 0.42 1.18 -0.49 0.35 2.04 -0.93 -0.06 117.51 120.04 1nb0 h ILE 130 Ca 0.12 -0.44 -0.11 0.00 1.00 0.00 0.00 64.86 65.44 1nb0 h ILE 130 Cb 0.05 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 36.53 1nb0 h ILE 130 CO -0.02 0.19 -0.12 -0.33 0.00 0.00 0.00 178.15 177.88 1nb0 h GLU 131 N 0.78 0.90 -0.37 2.37 4.39 -1.10 -1.27 114.58 120.29 1nb0 h GLU 131 Ca 0.21 -0.32 -0.06 0.00 0.34 0.00 0.00 59.36 59.53 1nb0 h GLU 131 Cb 0.02 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 1nb0 h GLU 131 CO -0.04 0.97 0.00 1.49 -1.16 0.00 0.00 179.01 180.28 1nb0 h GLU 132 N 0.81 0.66 -0.57 2.33 4.57 -0.90 -2.71 114.58 118.76 1nb0 h GLU 132 Ca 0.13 -0.21 0.04 0.00 -1.18 0.00 0.00 59.36 58.14 1nb0 h GLU 132 Cb 0.64 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 29.13 1nb0 h GLU 132 CO 0.04 0.76 0.33 0.00 -1.18 0.00 0.00 179.01 178.96 1nb0 h ALA 133 N 0.88 0.74 -0.95 2.92 0.00 -0.77 -1.61 119.26 120.47 1nb0 h ALA 133 Ca 0.11 0.00 0.09 0.00 0.00 0.00 0.00 54.91 55.11 1nb0 h ALA 133 Cb 0.46 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.04 1nb0 h ALA 133 CO 0.02 0.02 0.59 0.87 0.00 0.00 0.00 179.25 180.75 1nb0 h LYS 134 N 0.63 0.99 -0.29 0.00 1.57 -1.05 -1.80 116.57 116.62 1nb0 h LYS 134 Ca 0.24 -0.06 -0.11 0.00 -1.87 0.00 0.00 60.65 58.85 1nb0 h LYS 134 Cb 0.09 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 1nb0 h LYS 134 CO -0.13 0.65 -0.26 0.87 -0.57 0.00 0.00 179.45 180.01 1nb0 h LYS 135 N 1.02 0.69 0.00 3.15 1.57 -1.09 -3.24 116.57 118.67 1nb0 h LYS 135 Ca 0.44 -0.36 -0.10 0.00 -1.87 0.00 0.00 60.65 58.76 1nb0 h LYS 135 Cb 0.31 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 1nb0 h LYS 135 CO -0.22 0.97 -0.48 0.00 -0.57 0.00 0.00 179.45 179.15 1nb0 h ARG 136 N 0.44 0.00 0.00 3.15 3.08 -0.86 -2.63 114.38 117.55 1nb0 h ARG 136 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1nb0 h ARG 136 Cb 0.83 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.88 1nb0 h ARG 136 CO 0.07 0.48 0.00 1.28 -1.07 0.00 0.00 179.97 180.73 1nb0 n LEU 137 N -3.83 0.00 0.08 3.04 4.77 -0.72 -2.07 117.00 118.28 1nb0 n LEU 137 Ca -0.01 0.38 0.13 0.00 -0.03 0.00 0.00 56.01 56.47 1nb0 n LEU 137 Cb 0.52 -0.38 0.37 0.00 -2.33 0.00 0.00 43.42 41.60 1nb0 n LEU 137 CO 0.40 -0.09 0.76 -0.62 -1.33 0.00 0.00 177.39 176.51 1nb0 n GLU 138 N -1.38 0.24 -1.89 3.23 -0.58 -0.99 -2.93 120.64 116.33 1nb0 n GLU 138 Ca 0.08 0.16 -0.42 0.00 -0.42 0.00 0.00 57.16 56.57 1nb0 n GLU 138 Cb 0.22 -1.74 -0.02 0.00 -0.57 0.00 0.00 31.44 29.32 1nb0 n GLU 138 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1nb0 s LEU 139 N -4.28 4.37 0.34 -4.62 1.43 -0.88 -4.69 118.68 110.36 1nb0 s LEU 139 Ca 0.10 2.74 0.12 0.00 -1.03 0.00 0.00 54.13 56.06 1nb0 s LEU 139 Cb 0.13 -3.61 0.93 0.00 0.03 0.00 0.00 46.19 43.67 1nb0 s LEU 139 CO 0.62 -0.83 1.76 -0.65 0.23 0.00 0.00 176.35 177.48 1nb0 h PRO 140 N 5.89 0.54 0.00 1.29 0.11 -1.90 0.28 132.00 138.20 1nb0 h PRO 140 Ca -0.45 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 1nb0 h PRO 140 Cb 1.21 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 1nb0 h PRO 140 CO 0.86 0.36 -0.09 1.49 -0.21 0.00 0.00 178.00 180.41 1nb0 h GLU 141 N 0.56 0.00 0.00 1.05 4.81 -1.95 -2.38 114.58 116.67 1nb0 h GLU 141 Ca 0.61 0.00 -0.35 0.00 -0.13 0.00 0.00 59.36 59.49 1nb0 h GLU 141 Cb 1.24 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.56 1nb0 h GLU 141 CO -0.39 0.09 -2.32 0.66 -0.73 0.00 0.00 179.01 176.32 1nb0 n TYR 142 N -3.97 0.00 -0.31 0.92 4.01 -0.07 -4.41 117.16 113.32 1nb0 n TYR 142 Ca -0.02 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 57.85 1nb0 n TYR 142 Cb 0.18 -0.90 0.37 0.00 -0.31 0.00 0.00 39.34 38.68 1nb0 n TYR 142 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 1nb0 h LEU 143 N 0.00 0.68 -2.06 7.72 5.85 -0.43 -1.45 115.31 125.62 1nb0 h LEU 143 Ca -0.52 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.25 1nb0 h LEU 143 Cb 1.89 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 42.86 1nb0 h LEU 143 CO -0.05 0.29 -0.09 0.07 -0.34 0.00 0.00 178.44 178.32 1nb0 h LYS 144 N 0.69 0.00 0.00 1.25 2.10 -1.64 -2.84 116.57 116.13 1nb0 h LYS 144 Ca 0.52 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 59.14 1nb0 h LYS 144 Cb 0.88 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.21 1nb0 h LYS 144 CO -0.28 0.09 -0.13 0.82 -2.00 0.00 0.00 179.45 177.95 1nb0 h ILE 145 N 0.00 0.40 -0.57 0.07 2.04 -1.49 -1.16 117.51 116.80 1nb0 h ILE 145 Ca -0.00 -0.71 0.16 0.00 1.00 0.00 0.00 64.86 65.31 1nb0 h ILE 145 Cb 0.26 1.51 -0.03 0.00 -0.74 0.00 0.00 36.82 37.82 1nb0 h ILE 145 CO 0.01 0.12 0.41 0.50 0.00 0.00 0.00 178.15 179.19 1nb0 h LYS 146 N 0.00 0.05 -0.67 2.37 3.64 -1.63 -1.45 116.57 118.89 1nb0 h LYS 146 Ca -0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1nb0 h LYS 146 Cb 0.50 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1nb0 h LYS 146 CO 0.02 0.03 0.00 0.39 -2.27 0.00 0.00 179.45 177.62 1nb0 n GLU 147 N -4.38 2.61 -1.90 1.90 -0.58 -0.44 -4.88 120.64 112.96 1nb0 n GLU 147 Ca 0.11 -2.49 -0.38 0.00 -0.42 0.00 0.00 57.16 53.97 1nb0 n GLU 147 Cb 0.61 -1.54 0.02 0.00 -0.57 0.00 0.00 31.44 29.97 1nb0 n GLU 147 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1nb0 s ASP 148 N -1.06 5.63 0.62 1.62 -1.08 -0.55 -4.87 116.67 116.98 1nb0 s ASP 148 Ca 0.46 2.70 0.33 0.00 -0.52 0.00 0.00 52.55 55.52 1nb0 s ASP 148 Cb 0.24 -2.63 1.90 0.00 -1.46 0.00 0.00 42.92 40.97 1nb0 s ASP 148 CO 0.32 -1.32 2.18 0.78 0.52 0.00 0.00 175.17 177.65 1nb0 h ASN 149 N 1.82 0.00 -0.85 -0.34 2.35 -1.94 -1.16 115.58 115.47 1nb0 h ASN 149 Ca -0.50 0.00 0.21 0.00 -0.55 0.00 0.00 56.30 55.46 1nb0 h ASN 149 Cb 1.28 0.00 -0.13 0.00 0.05 0.00 0.00 38.32 39.52 1nb0 h ASN 149 CO 0.59 0.00 0.27 0.15 -1.65 0.00 0.00 177.43 176.79 1nb0 h PHE 150 N 0.00 0.43 0.00 1.19 3.57 -1.94 -0.83 116.94 119.35 1nb0 h PHE 150 Ca 0.03 0.05 -0.07 0.00 3.53 0.00 0.00 57.97 61.51 1nb0 h PHE 150 Cb 0.28 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 1nb0 h PHE 150 CO 0.00 -0.13 -0.62 0.74 -2.23 0.00 0.00 178.31 176.07 1nb0 h PHE 151 N 0.28 0.00 -0.02 0.41 0.04 -1.55 -3.30 116.94 112.80 1nb0 h PHE 151 Ca 0.52 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 61.15 1nb0 h PHE 151 Cb 1.00 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.13 1nb0 h PHE 151 CO -0.23 0.31 -0.65 1.96 -0.60 0.00 0.00 178.31 179.11 1nb0 h GLN 152 N 0.00 0.09 -0.94 1.51 4.20 -1.19 -3.17 115.11 115.61 1nb0 h GLN 152 Ca -0.03 -0.07 0.03 0.00 0.06 0.00 0.00 58.65 58.64 1nb0 h GLN 152 Cb 1.27 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 29.01 1nb0 h GLN 152 CO 0.04 0.70 0.62 -0.39 -0.67 0.00 0.00 178.83 179.12 1nb0 h VAL 153 N 0.06 1.19 0.00 -0.54 -1.51 -1.37 -2.29 116.25 111.79 1nb0 h VAL 153 Ca -0.01 -0.42 0.00 0.00 -1.23 0.00 0.00 66.70 65.04 1nb0 h VAL 153 Cb 1.15 -0.14 0.00 0.00 -2.13 0.00 0.00 31.29 30.18 1nb0 h VAL 153 CO 0.09 0.22 0.00 -1.54 -1.23 0.00 0.00 177.57 175.11 1nb0 n SER 154 N -4.47 0.01 -0.70 4.19 3.41 -1.20 -5.13 113.62 109.73 1nb0 n SER 154 Ca 0.12 0.50 0.09 0.00 -0.26 0.00 0.00 58.87 59.32 1nb0 n SER 154 Cb 0.06 -0.50 0.07 0.00 -0.26 0.00 0.00 64.21 63.58 1nb0 n SER 154 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17