#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 4azu s GLU 2 N 0.00 4.23 -1.47 0.00 2.56 -1.26 -4.04 118.70 118.72 4azu s GLU 2 Ca 0.00 0.41 -0.07 0.00 0.00 0.00 0.00 54.97 55.31 4azu s GLU 2 Cb 0.00 -3.38 0.03 0.00 2.00 0.00 0.00 34.13 32.78 4azu s GLU 2 CO 0.00 0.30 0.67 0.00 -0.56 0.00 0.00 175.26 175.67 4azu s SER 4 N -2.82 -0.32 -0.08 0.00 1.04 -1.26 -1.54 113.70 108.72 4azu s SER 4 Ca 0.38 -0.19 -0.13 0.00 0.48 0.00 0.00 55.95 56.49 4azu s SER 4 Cb -0.18 0.49 0.03 0.00 0.10 0.00 0.00 66.02 66.45 4azu s SER 4 CO 0.48 -0.84 0.33 0.54 0.98 0.00 0.00 173.24 174.72 4azu s VAL 5 N -3.35 0.02 -0.15 5.02 0.11 -0.91 -4.42 120.40 116.72 4azu s VAL 5 Ca 0.07 -0.19 -0.05 0.00 -2.93 0.00 0.00 61.98 58.88 4azu s VAL 5 Cb -0.02 -0.53 -0.03 0.00 -1.53 0.00 0.00 36.38 34.27 4azu s VAL 5 CO -0.04 -0.11 0.02 -1.81 -3.33 0.00 0.00 175.10 169.83 4azu s ASP 6 N -0.43 5.29 0.06 3.54 1.11 -1.26 -1.04 116.67 123.93 4azu s ASP 6 Ca -0.06 0.04 0.03 0.00 0.18 0.00 0.00 52.55 52.74 4azu s ASP 6 Cb -0.04 -1.80 -0.03 0.00 1.07 0.00 0.00 42.92 42.13 4azu s ASP 6 CO 0.02 0.23 -0.09 -0.51 1.18 0.00 0.00 175.17 176.00 4azu s ILE 7 N 0.04 0.65 -0.01 0.77 2.07 0.20 -4.94 121.20 119.98 4azu s ILE 7 Ca 0.03 -1.24 0.06 0.00 -1.41 0.00 0.00 60.65 58.09 4azu s ILE 7 Cb -0.13 -0.83 -0.01 0.00 0.13 0.00 0.00 42.46 41.62 4azu s ILE 7 CO 0.02 -0.43 -0.19 -1.10 -1.91 0.00 0.00 174.94 171.33 4azu s GLN 8 N -1.92 1.51 -0.17 3.50 -0.21 -1.26 -1.23 119.66 119.87 4azu s GLN 8 Ca -0.06 -0.68 0.00 0.00 0.02 0.00 0.00 55.36 54.65 4azu s GLN 8 Cb -0.08 -1.47 0.01 0.00 1.00 0.00 0.00 33.01 32.47 4azu s GLN 8 CO 0.00 0.40 -0.16 0.20 -2.12 0.00 0.00 175.29 173.62 4azu s GLY 9 N -0.46 1.46 0.29 3.09 0.00 -0.71 -1.28 107.32 109.70 4azu s GLY 9 Ca 0.07 -1.13 0.04 0.00 0.00 0.00 0.00 44.72 43.70 4azu s GLY 9 CO -0.01 0.17 0.34 1.16 0.00 0.00 0.00 173.10 174.77 4azu n ASN 10 N 4.38 1.29 0.00 1.64 0.23 -0.06 -3.93 115.26 118.81 4azu n ASN 10 Ca -0.20 -1.82 0.11 0.00 -0.53 0.00 0.00 54.58 52.14 4azu n ASN 10 Cb 0.51 -0.16 0.55 0.00 -2.08 0.00 0.00 39.78 38.60 4azu n ASN 10 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 4azu n ASP 11 N -2.45 0.00 -1.40 0.53 8.00 -1.25 -2.38 116.55 117.59 4azu n ASP 11 Ca 0.06 0.07 0.09 0.00 0.71 0.00 0.00 54.79 55.72 4azu n ASP 11 Cb 0.30 -0.33 0.32 0.00 -0.02 0.00 0.00 41.12 41.39 4azu n ASP 11 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 4azu n GLN 12 N -1.33 3.20 -3.36 -1.24 6.02 -1.26 -4.95 117.38 114.47 4azu n GLN 12 Ca 0.10 -2.52 -0.16 0.00 -0.01 0.00 0.00 57.00 54.40 4azu n GLN 12 Cb 0.19 -1.75 0.08 0.00 1.02 0.00 0.00 30.24 29.79 4azu n GLN 12 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 4azu n MET 13 N 1.13 -5.44 -4.12 -1.09 2.81 -1.00 -5.02 117.12 104.39 4azu n MET 13 Ca 0.23 0.84 -0.15 0.00 -1.81 0.00 0.00 57.70 56.81 4azu n MET 13 Cb 0.74 -5.79 -0.13 0.00 -0.71 0.00 0.00 33.22 27.34 4azu n MET 13 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 4azu s GLN 14 N -5.09 0.53 0.12 0.03 -0.21 -1.26 -4.37 119.66 109.40 4azu s GLN 14 Ca 0.11 -0.57 -0.00 0.00 0.02 0.00 0.00 55.36 54.92 4azu s GLN 14 Cb -0.01 -0.39 -0.04 0.00 1.00 0.00 0.00 33.01 33.57 4azu s GLN 14 CO 0.72 0.09 0.29 -0.06 -2.12 0.00 0.00 175.29 174.20 4azu s PHE 15 N -0.93 3.50 -1.65 0.91 0.08 -1.26 -0.88 117.98 117.75 4azu s PHE 15 Ca -0.05 0.29 0.06 0.00 0.12 0.00 0.00 56.93 57.34 4azu s PHE 15 Cb -0.07 -1.79 0.21 0.00 -0.57 0.00 0.00 43.02 40.79 4azu s PHE 15 CO 0.00 0.51 1.08 0.27 -0.10 0.00 0.00 175.22 176.98 4azu n ASN 16 N -0.10 1.52 -3.66 1.36 6.94 -0.41 -4.81 115.26 116.10 4azu n ASN 16 Ca -0.05 -2.08 -0.11 0.00 -0.02 0.00 0.00 54.58 52.32 4azu n ASN 16 Cb 0.52 -0.26 -0.06 0.00 -2.36 0.00 0.00 39.78 37.62 4azu n ASN 16 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 4azu s THR 17 N -1.65 0.07 0.00 5.53 -1.32 -1.26 -4.98 115.64 112.02 4azu s THR 17 Ca 0.15 -0.56 0.00 0.00 -1.21 0.00 0.00 61.69 60.07 4azu s THR 17 Cb 0.09 -1.07 0.00 0.00 -1.51 0.00 0.00 72.50 70.00 4azu s THR 17 CO 0.08 -0.31 0.75 0.59 -2.21 0.00 0.00 174.62 173.52 4azu n ASN 18 N 0.12 1.28 -3.67 8.08 4.13 -1.26 -4.86 115.26 119.08 4azu n ASN 18 Ca -0.17 -1.56 -0.08 0.00 1.68 0.00 0.00 54.58 54.45 4azu n ASN 18 Cb 0.62 0.00 -0.09 0.00 -1.54 0.00 0.00 39.78 38.77 4azu n ASN 18 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 4azu s ALA 19 N -0.56 -1.38 -0.02 5.41 0.00 -1.26 -1.64 121.76 122.31 4azu s ALA 19 Ca 0.00 1.85 0.07 0.00 0.00 0.00 0.00 51.96 53.89 4azu s ALA 19 Cb 0.00 -1.20 -0.02 0.00 0.00 0.00 0.00 23.12 21.90 4azu s ALA 19 CO 0.00 -0.42 -0.24 0.42 0.00 0.00 0.00 175.76 175.52 4azu s ILE 20 N 1.76 2.19 -0.04 0.00 1.01 -0.57 -4.98 121.20 120.57 4azu s ILE 20 Ca -0.08 -1.07 0.06 0.00 0.00 0.00 0.00 60.65 59.56 4azu s ILE 20 Cb -0.08 -1.77 -0.02 0.00 0.01 0.00 0.00 42.46 40.59 4azu s ILE 20 CO -0.15 0.57 -0.23 0.42 0.00 0.00 0.00 174.94 175.55 4azu s THR 21 N -0.64 2.33 -0.09 2.92 -4.23 -1.26 -2.16 115.64 112.52 4azu s THR 21 Ca 0.10 -0.99 0.02 0.00 -1.18 0.00 0.00 61.69 59.64 4azu s THR 21 Cb -0.10 -1.85 -0.02 0.00 1.34 0.00 0.00 72.50 71.87 4azu s THR 21 CO -0.01 0.58 -0.14 -0.69 -0.54 0.00 0.00 174.62 173.82 4azu s VAL 22 N -0.54 3.03 0.01 2.29 1.01 0.52 -4.95 120.40 121.78 4azu s VAL 22 Ca 0.07 -0.70 -0.30 0.00 0.00 0.00 0.00 61.98 61.05 4azu s VAL 22 Cb -0.11 -2.23 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 4azu s VAL 22 CO 0.00 0.56 1.01 -0.62 0.00 0.00 0.00 175.10 176.06 4azu s ASP 23 N -0.20 7.33 0.58 3.32 2.15 -1.26 0.19 116.67 128.77 4azu s ASP 23 Ca 0.00 1.72 0.38 0.00 0.43 0.00 0.00 52.55 55.09 4azu s ASP 23 Cb -0.13 -2.57 1.93 0.00 -0.30 0.00 0.00 42.92 41.84 4azu s ASP 23 CO 0.03 -0.29 2.15 0.50 -0.17 0.00 0.00 175.17 177.40 4azu h LYS 24 N 6.76 0.00 0.00 4.34 3.64 -1.94 -0.62 116.57 128.75 4azu h LYS 24 Ca -0.41 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.97 4azu h LYS 24 Cb 1.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 4azu h LYS 24 CO 0.76 0.00 0.00 0.43 -2.27 0.00 0.00 179.45 178.37 4azu n SER 25 N -2.94 0.57 -4.71 4.20 7.64 -1.26 -4.77 113.62 112.34 4azu n SER 25 Ca -0.02 0.57 -0.42 0.00 1.01 0.00 0.00 58.87 60.01 4azu n SER 25 Cb 0.14 -0.72 -0.03 0.00 -1.01 0.00 0.00 64.21 62.59 4azu n SER 25 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 4azu h LYS 27 N 6.87 0.63 -5.14 0.00 3.64 -1.87 -3.43 116.57 117.27 4azu h LYS 27 Ca -0.40 -0.75 -0.39 0.00 -1.27 0.00 0.00 60.65 57.84 4azu h LYS 27 Cb 1.21 0.23 -0.14 0.00 -0.41 0.00 0.00 32.23 33.12 4azu h LYS 27 CO 0.80 1.32 -0.67 -0.65 -2.27 0.00 0.00 179.45 177.98 4azu s GLN 28 N -3.15 1.33 -0.02 1.90 -0.21 -1.26 -1.53 119.66 116.72 4azu s GLN 28 Ca -0.09 -1.66 -0.01 0.00 0.02 0.00 0.00 55.36 53.61 4azu s GLN 28 Cb 0.07 -0.69 0.01 0.00 1.00 0.00 0.00 33.01 33.39 4azu s GLN 28 CO 0.92 -0.06 0.05 0.12 -2.12 0.00 0.00 175.29 174.20 4azu s PHE 29 N -3.35 -0.05 -0.03 0.91 5.36 -0.34 -4.80 117.98 115.69 4azu s PHE 29 Ca 0.27 0.13 0.06 0.00 -0.96 0.00 0.00 56.93 56.44 4azu s PHE 29 Cb 0.05 -0.01 -0.02 0.00 -0.34 0.00 0.00 43.02 42.69 4azu s PHE 29 CO 0.08 -0.04 -0.20 0.99 -1.46 0.00 0.00 175.22 174.60 4azu s THR 30 N 0.17 2.58 -0.11 0.12 2.01 -0.59 -1.09 115.64 118.72 4azu s THR 30 Ca -0.01 -0.95 0.02 0.00 0.31 0.00 0.00 61.69 61.06 4azu s THR 30 Cb -0.02 -1.97 -0.01 0.00 0.01 0.00 0.00 72.50 70.51 4azu s THR 30 CO -0.00 0.56 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.61 4azu s VAL 31 N -0.70 2.55 -0.32 3.82 1.01 0.02 -2.15 120.40 124.64 4azu s VAL 31 Ca 0.11 -0.84 -0.02 0.00 0.00 0.00 0.00 61.98 61.22 4azu s VAL 31 Cb -0.10 -2.03 0.06 0.00 0.00 0.00 0.00 36.38 34.30 4azu s VAL 31 CO 0.00 0.54 0.03 0.20 0.00 0.00 0.00 175.10 175.88 4azu s ASN 32 N 0.34 4.98 -0.18 3.32 0.01 -0.21 -1.42 114.94 121.78 4azu s ASN 32 Ca -0.15 -1.34 -0.10 0.00 -0.71 0.00 0.00 52.86 50.55 4azu s ASN 32 Cb -0.17 -1.74 -0.05 0.00 0.41 0.00 0.00 41.25 39.70 4azu s ASN 32 CO 0.07 -0.30 0.17 -0.22 -1.51 0.00 0.00 177.10 175.31 4azu s LEU 33 N 1.25 4.24 0.27 0.60 2.96 0.18 -0.63 118.68 127.56 4azu s LEU 33 Ca -0.03 0.33 0.04 0.00 -0.22 0.00 0.00 54.13 54.24 4azu s LEU 33 Cb -0.20 -2.15 -0.06 0.00 0.50 0.00 0.00 46.19 44.28 4azu s LEU 33 CO -0.01 0.20 0.01 -0.94 -1.32 0.00 0.00 176.35 174.29 4azu s SER 34 N 0.17 2.13 -0.41 3.68 1.04 -0.37 -1.49 113.70 118.46 4azu s SER 34 Ca 0.11 -1.28 0.02 0.00 0.48 0.00 0.00 55.95 55.28 4azu s SER 34 Cb -0.12 -0.04 0.13 0.00 0.10 0.00 0.00 66.02 66.09 4azu s SER 34 CO 0.00 -0.53 0.20 -2.28 0.98 0.00 0.00 173.24 171.61 4azu s HIS 35 N -3.33 2.04 0.84 5.02 2.46 -1.19 -1.73 115.29 119.40 4azu s HIS 35 Ca 0.32 -2.33 -0.12 0.00 0.47 0.00 0.00 55.06 53.39 4azu s HIS 35 Cb 0.07 -1.93 0.10 0.00 -0.13 0.00 0.00 32.58 30.69 4azu s HIS 35 CO 0.12 -0.81 1.19 -1.25 -2.47 0.00 0.00 174.74 171.52 4azu s PRO 36 N 0.62 1.42 0.00 2.88 0.04 -1.25 -0.99 135.00 137.72 4azu s PRO 36 Ca 0.16 1.71 0.00 0.00 0.04 0.00 0.00 61.00 62.90 4azu s PRO 36 Cb -0.23 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.55 4azu s PRO 36 CO -0.05 -2.37 0.00 0.41 0.04 0.00 0.00 177.00 175.03 4azu n GLY 37 N 0.43 -0.02 0.00 0.56 0.00 -1.26 -3.96 105.19 100.94 4azu n GLY 37 Ca 0.13 -2.25 0.00 0.00 0.00 0.00 0.00 46.02 43.90 4azu n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 4azu n ASN 38 N 0.00 0.27 -4.77 1.61 4.13 -1.26 -4.52 115.26 110.72 4azu n ASN 38 Ca 0.00 -1.00 -0.39 0.00 1.68 0.00 0.00 54.58 54.87 4azu n ASN 38 Cb 0.00 0.00 -0.06 0.00 -1.54 0.00 0.00 39.78 38.18 4azu n ASN 38 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 4azu s LEU 39 N -0.00 4.56 0.91 3.41 1.43 -1.26 -4.88 118.68 122.84 4azu s LEU 39 Ca 0.00 1.78 -0.12 0.00 -1.03 0.00 0.00 54.13 54.76 4azu s LEU 39 Cb 0.00 -3.54 0.13 0.00 0.03 0.00 0.00 46.19 42.81 4azu s LEU 39 CO 0.00 0.14 1.10 -2.16 0.23 0.00 0.00 176.35 175.66 4azu s PRO 40 N -1.35 1.18 0.25 1.29 0.04 -1.26 -2.17 135.00 132.99 4azu s PRO 40 Ca 0.40 0.64 -0.04 0.00 0.04 0.00 0.00 61.00 62.04 4azu s PRO 40 Cb -0.23 -1.81 0.34 0.00 0.04 0.00 0.00 34.50 32.83 4azu s PRO 40 CO 0.28 -2.25 1.89 -0.22 0.04 0.00 0.00 177.00 176.74 4azu h LYS 41 N -1.55 1.16 0.00 4.56 3.64 -1.85 0.13 116.57 122.67 4azu h LYS 41 Ca -0.50 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 58.80 4azu h LYS 41 Cb 1.30 -0.26 -0.00 0.00 -0.41 0.00 0.00 32.23 32.86 4azu h LYS 41 CO 0.57 0.77 -0.03 -2.95 -2.27 0.00 0.00 179.45 175.54 4azu h ASN 42 N 1.19 0.00 0.00 4.20 -1.07 -1.95 0.28 115.58 118.24 4azu h ASN 42 Ca 0.40 0.00 -0.38 0.00 0.07 0.00 0.00 56.30 56.39 4azu h ASN 42 Cb 0.06 0.00 -0.07 0.00 -2.07 0.00 0.00 38.32 36.24 4azu h ASN 42 CO -0.14 0.03 -2.44 0.52 0.07 0.00 0.00 177.43 175.47 4azu n VAL 43 N -3.14 1.45 -2.77 6.14 0.31 -0.87 -4.74 118.33 114.71 4azu n VAL 43 Ca 0.01 -0.61 -0.02 0.00 -0.01 0.00 0.00 64.34 63.70 4azu n VAL 43 Cb 0.33 -1.24 0.06 0.00 -0.91 0.00 0.00 33.84 32.08 4azu n VAL 43 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 4azu n MET 44 N -3.16 1.54 -2.10 5.55 0.00 0.40 -5.02 117.12 114.33 4azu n MET 44 Ca -0.43 -2.98 -0.37 0.00 0.00 0.00 0.00 57.70 53.92 4azu n MET 44 Cb 1.01 -1.11 0.02 0.00 0.00 0.00 0.00 33.22 33.13 4azu n MET 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 4azu s GLY 45 N -3.10 2.76 0.01 -5.12 0.00 0.98 -4.73 107.32 98.12 4azu s GLY 45 Ca 0.24 1.01 0.01 0.00 0.00 0.00 0.00 44.72 45.98 4azu s GLY 45 CO -0.04 1.44 -0.05 0.30 0.00 0.00 0.00 173.10 174.75 4azu s HIS 46 N -1.55 0.45 0.27 1.90 3.76 -0.46 -4.72 115.29 114.93 4azu s HIS 46 Ca 0.71 -0.21 0.03 0.00 -0.15 0.00 0.00 55.06 55.44 4azu s HIS 46 Cb -0.30 -0.28 -0.06 0.00 1.11 0.00 0.00 32.58 33.05 4azu s HIS 46 CO 0.35 -0.04 0.05 0.54 -0.85 0.00 0.00 174.74 174.79 4azu s ASN 47 N -0.55 1.78 -0.15 1.40 2.20 -1.26 -0.56 114.94 117.80 4azu s ASN 47 Ca -0.02 -1.32 0.01 0.00 -0.94 0.00 0.00 52.86 50.59 4azu s ASN 47 Cb -0.04 0.03 0.02 0.00 -2.00 0.00 0.00 41.25 39.26 4azu s ASN 47 CO -0.00 -0.61 -0.18 0.86 -2.94 0.00 0.00 177.10 174.23 4azu s TRP 48 N -3.49 2.45 -0.03 1.54 -0.00 -1.26 -4.14 118.94 114.00 4azu s TRP 48 Ca 0.34 -1.34 0.05 0.00 -0.00 0.00 0.00 56.10 55.15 4azu s TRP 48 Cb 0.07 -1.72 -0.01 0.00 -0.00 0.00 0.00 33.47 31.81 4azu s TRP 48 CO 0.12 -0.67 -0.17 0.08 -0.00 0.00 0.00 176.95 176.31 4azu s VAL 49 N 1.17 1.42 -0.08 5.86 1.01 -0.35 -0.93 120.40 128.49 4azu s VAL 49 Ca 0.00 -0.73 0.02 0.00 0.00 0.00 0.00 61.98 61.27 4azu s VAL 49 Cb -0.14 -1.21 -0.02 0.00 0.00 0.00 0.00 36.38 35.01 4azu s VAL 49 CO -0.08 0.41 -0.13 -0.22 0.00 0.00 0.00 175.10 175.08 4azu s LEU 50 N -0.09 2.78 0.34 3.92 2.96 0.05 -1.48 118.68 127.15 4azu s LEU 50 Ca -0.01 -0.22 -0.08 0.00 -0.22 0.00 0.00 54.13 53.61 4azu s LEU 50 Cb -0.10 -1.59 0.02 0.00 0.50 0.00 0.00 46.19 45.01 4azu s LEU 50 CO 0.01 0.29 0.56 -0.94 -1.32 0.00 0.00 176.35 174.95 4azu s SER 51 N -0.37 0.51 0.68 3.68 1.04 -0.78 -0.66 113.70 117.80 4azu s SER 51 Ca 0.04 -1.30 -0.13 0.00 0.48 0.00 0.00 55.95 55.04 4azu s SER 51 Cb -0.12 0.70 0.01 0.00 0.10 0.00 0.00 66.02 66.71 4azu s SER 51 CO 0.02 -1.38 1.09 0.42 0.98 0.00 0.00 173.24 174.37 4azu s THR 52 N -3.03 3.49 0.44 2.02 -4.23 -1.26 -1.19 115.64 111.88 4azu s THR 52 Ca 0.25 0.61 0.10 0.00 -1.18 0.00 0.00 61.69 61.47 4azu s THR 52 Cb -0.02 -3.15 0.25 0.00 1.34 0.00 0.00 72.50 70.92 4azu s THR 52 CO 0.16 -0.51 2.07 0.00 -0.54 0.00 0.00 174.62 175.80 4azu h ALA 53 N -0.29 1.77 0.00 3.99 0.00 -1.09 -1.31 119.26 122.34 4azu h ALA 53 Ca -0.46 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.36 4azu h ALA 53 Cb 1.23 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 4azu h ALA 53 CO 0.54 0.20 -0.22 0.00 0.00 0.00 0.00 179.25 179.77 4azu h ALA 54 N 1.81 1.15 0.00 0.00 0.00 -1.92 -3.04 119.26 117.26 4azu h ALA 54 Ca 0.09 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.80 4azu h ALA 54 Cb 0.02 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.77 4azu h ALA 54 CO -0.01 0.27 -0.76 -0.25 0.00 0.00 0.00 179.25 178.50 4azu n ASP 55 N -3.58 0.64 -0.12 0.00 8.00 -0.52 -4.52 116.55 116.46 4azu n ASP 55 Ca -0.01 -0.34 -0.05 0.00 0.71 0.00 0.00 54.79 55.10 4azu n ASP 55 Cb 0.36 0.55 0.01 0.00 -0.02 0.00 0.00 41.12 42.02 4azu n ASP 55 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 4azu h MET 56 N 0.00 -0.05 -0.48 -1.24 4.05 -1.37 -2.33 114.93 113.50 4azu h MET 56 Ca 0.00 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.40 4azu h MET 56 Cb 0.59 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.38 4azu h MET 56 CO 0.00 -0.03 0.22 0.37 0.23 0.00 0.00 176.91 177.69 4azu h GLN 57 N -0.05 0.70 -0.52 0.39 5.75 -1.80 -0.71 115.11 118.87 4azu h GLN 57 Ca 0.19 -0.11 -0.05 0.00 -0.15 0.00 0.00 58.65 58.53 4azu h GLN 57 Cb 0.35 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.75 4azu h GLN 57 CO -0.44 0.61 0.11 0.78 -2.65 0.00 0.00 178.83 177.24 4azu h GLY 58 N 0.64 0.86 0.87 2.39 0.00 -1.79 -0.14 103.07 105.89 4azu h GLY 58 Ca 0.16 -0.50 -0.01 0.00 0.00 0.00 0.00 47.33 46.98 4azu h GLY 58 CO -0.02 0.47 0.06 -2.08 0.00 0.00 0.00 176.54 174.97 4azu h VAL 59 N 0.77 1.18 0.14 4.60 2.07 -0.98 -0.95 116.25 123.07 4azu h VAL 59 Ca 0.17 -0.57 -0.01 0.00 0.82 0.00 0.00 66.70 67.11 4azu h VAL 59 Cb 0.31 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 4azu h VAL 59 CO 0.00 0.18 -0.07 0.58 0.02 0.00 0.00 177.57 178.28 4azu h VAL 60 N 0.13 0.91 -0.11 2.57 2.07 -0.82 0.89 116.25 121.88 4azu h VAL 60 Ca 0.06 -0.17 0.03 0.00 0.82 0.00 0.00 66.70 67.45 4azu h VAL 60 Cb 0.22 1.01 -0.04 0.00 -1.52 0.00 0.00 31.29 30.97 4azu h VAL 60 CO -0.00 0.04 -0.11 0.74 0.02 0.00 0.00 177.57 178.26 4azu h THR 61 N -0.26 0.69 0.00 2.57 2.02 -1.03 -1.49 112.91 115.41 4azu h THR 61 Ca -0.02 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.10 4azu h THR 61 Cb 0.21 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 4azu h THR 61 CO 0.03 0.00 -0.28 0.44 0.37 0.00 0.00 175.52 176.08 4azu h ASP 62 N -0.13 0.00 -0.37 4.18 3.32 -1.04 -2.54 116.42 119.84 4azu h ASP 62 Ca 0.08 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.08 4azu h ASP 62 Cb 0.25 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 4azu h ASP 62 CO -0.19 0.28 0.01 1.23 -1.72 0.00 0.00 179.24 178.85 4azu h GLY 63 N 1.75 0.69 0.96 2.75 0.00 -0.44 -1.82 103.07 106.96 4azu h GLY 63 Ca -0.00 -0.49 0.01 0.00 0.00 0.00 0.00 47.33 46.84 4azu h GLY 63 CO 0.04 0.45 0.05 1.98 0.00 0.00 0.00 176.54 179.07 4azu h MET 64 N 0.46 0.12 -0.06 4.80 1.85 -0.88 -1.93 114.93 119.29 4azu h MET 64 Ca 0.11 -0.01 0.02 0.00 -0.61 0.00 0.00 59.70 59.21 4azu h MET 64 Cb 0.44 -0.03 -0.00 0.00 0.43 0.00 0.00 31.60 32.44 4azu h MET 64 CO 0.02 0.08 0.06 0.00 -0.40 0.00 0.00 176.91 176.66 4azu h ALA 65 N 1.05 1.71 0.00 0.39 0.00 -1.29 -1.09 119.26 120.04 4azu h ALA 65 Ca 0.04 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 4azu h ALA 65 Cb 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 4azu h ALA 65 CO -0.03 -0.09 -0.68 0.77 0.00 0.00 0.00 179.25 179.22 4azu h SER 66 N 0.00 0.00 -3.95 0.00 0.02 -0.52 -3.49 113.55 105.61 4azu h SER 66 Ca 0.03 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 61.01 4azu h SER 66 Cb 0.14 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 4azu h SER 66 CO -0.00 0.68 -0.06 0.61 -1.14 0.00 0.00 176.83 176.92 4azu n GLY 67 N 0.51 -1.77 0.13 -3.77 0.00 -0.41 -4.25 105.19 95.62 4azu n GLY 67 Ca -0.01 -1.48 -0.03 0.00 0.00 0.00 0.00 46.02 44.50 4azu n GLY 67 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 4azu n LEU 68 N -2.18 -0.32 -0.00 0.99 7.94 -1.26 -0.67 117.00 121.50 4azu n LEU 68 Ca -0.00 0.61 0.03 0.00 -1.11 0.00 0.00 56.01 55.54 4azu n LEU 68 Cb 0.06 -0.11 0.39 0.00 0.53 0.00 0.00 43.42 44.29 4azu n LEU 68 CO 0.00 -0.48 1.11 -2.24 -1.11 0.00 0.00 177.39 174.68 4azu h ASP 69 N 0.00 0.48 -0.40 1.96 2.03 -2.01 -1.90 116.42 116.57 4azu h ASP 69 Ca 0.05 -0.03 0.00 0.00 -0.73 0.00 0.00 57.03 56.32 4azu h ASP 69 Cb 0.12 -0.12 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 4azu h ASP 69 CO -0.28 0.40 0.00 0.29 -1.03 0.00 0.00 179.24 178.61 4azu n LYS 70 N -4.43 3.59 -2.42 4.15 5.02 0.16 -4.87 118.16 119.36 4azu n LYS 70 Ca 0.03 -2.15 -0.17 0.00 -2.02 0.00 0.00 58.31 54.00 4azu n LYS 70 Cb 0.10 -1.99 -0.01 0.00 -0.02 0.00 0.00 35.03 33.11 4azu n LYS 70 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 4azu n ASP 71 N 0.47 -5.02 -3.86 4.39 9.92 -0.71 -2.26 116.55 119.48 4azu n ASP 71 Ca 0.19 0.08 -0.27 0.00 -0.53 0.00 0.00 54.79 54.26 4azu n ASP 71 Cb 0.87 -4.21 0.02 0.00 -0.64 0.00 0.00 41.12 37.16 4azu n ASP 71 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 4azu n TYR 72 N -3.73 -2.11 -3.79 1.24 4.01 -0.57 -4.80 117.16 107.41 4azu n TYR 72 Ca -0.20 0.87 -0.13 0.00 -0.16 0.00 0.00 57.90 58.28 4azu n TYR 72 Cb 0.65 -4.07 -0.14 0.00 -0.31 0.00 0.00 39.34 35.47 4azu n TYR 72 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 4azu s LEU 73 N -7.06 1.17 0.07 7.72 1.43 -0.96 -4.22 118.68 116.83 4azu s LEU 73 Ca 0.40 0.23 -0.31 0.00 -1.03 0.00 0.00 54.13 53.42 4azu s LEU 73 Cb -0.20 0.31 -0.08 0.00 0.03 0.00 0.00 46.19 46.25 4azu s LEU 73 CO 0.83 -0.09 1.58 -0.75 0.23 0.00 0.00 176.35 178.15 4azu s LYS 74 N 0.65 4.22 0.26 1.70 2.20 -1.26 -4.86 119.74 122.65 4azu s LYS 74 Ca -0.05 2.25 -0.31 0.00 -0.36 0.00 0.00 55.97 57.51 4azu s LYS 74 Cb -0.07 -3.52 -0.13 0.00 -1.51 0.00 0.00 37.83 32.60 4azu s LYS 74 CO -0.03 -0.67 1.48 -2.30 -0.36 0.00 0.00 175.35 173.46 4azu n PRO 75 N 5.28 2.28 -3.83 4.03 -0.02 -1.26 -2.79 135.00 138.69 4azu n PRO 75 Ca 0.15 0.81 -0.24 0.00 -2.02 0.00 0.00 63.50 62.20 4azu n PRO 75 Cb 0.41 -2.51 0.01 0.00 -0.02 0.00 0.00 33.50 31.38 4azu n PRO 75 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 4azu n ASP 76 N 2.17 -0.93 -4.67 2.55 8.00 -1.26 -4.90 116.55 117.51 4azu n ASP 76 Ca 0.10 -0.90 -0.43 0.00 0.71 0.00 0.00 54.79 54.27 4azu n ASP 76 Cb 0.33 -3.59 -0.02 0.00 -0.02 0.00 0.00 41.12 37.82 4azu n ASP 76 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 4azu s ASP 77 N -4.32 7.12 0.55 -2.24 -1.08 -1.12 -4.90 116.67 110.68 4azu s ASP 77 Ca 0.04 1.51 0.33 0.00 -0.52 0.00 0.00 52.55 53.90 4azu s ASP 77 Cb -0.02 -2.55 1.48 0.00 -1.46 0.00 0.00 42.92 40.38 4azu s ASP 77 CO 0.85 -0.60 2.04 0.77 0.52 0.00 0.00 175.17 178.74 4azu h SER 78 N 7.43 0.00 1.31 -0.34 4.64 -1.92 -2.70 113.55 121.97 4azu h SER 78 Ca -0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 4azu h SER 78 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 4azu h SER 78 CO 0.93 0.05 -0.01 0.54 -0.87 0.00 0.00 176.83 177.47 4azu n ARG 79 N -3.21 0.18 -2.89 4.77 1.74 -1.26 -4.76 116.66 111.22 4azu n ARG 79 Ca -0.00 0.14 -0.42 0.00 -0.77 0.00 0.00 57.85 56.80 4azu n ARG 79 Cb 0.28 -1.70 -0.04 0.00 -1.02 0.00 0.00 32.46 29.97 4azu n ARG 79 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 4azu s VAL 80 N -3.07 4.69 0.10 1.55 1.01 -1.02 -4.44 120.40 119.21 4azu s VAL 80 Ca 0.12 1.08 -0.13 0.00 0.00 0.00 0.00 61.98 63.05 4azu s VAL 80 Cb 0.14 -4.25 -0.15 0.00 0.00 0.00 0.00 36.38 32.13 4azu s VAL 80 CO 0.58 -0.43 1.31 0.40 0.00 0.00 0.00 175.10 176.96 4azu h ILE 81 N 5.74 1.29 -2.01 2.22 2.04 -1.19 -3.47 117.51 122.13 4azu h ILE 81 Ca -0.24 -1.89 0.07 0.00 1.00 0.00 0.00 64.86 63.80 4azu h ILE 81 Cb 1.09 1.93 -0.18 0.00 -0.74 0.00 0.00 36.82 38.92 4azu h ILE 81 CO 0.93 0.60 0.46 0.00 0.00 0.00 0.00 178.15 180.14 4azu s ALA 82 N -3.83 -1.84 0.04 1.87 0.00 -1.24 -4.99 121.76 111.77 4azu s ALA 82 Ca -0.11 1.24 -0.26 0.00 0.00 0.00 0.00 51.96 52.83 4azu s ALA 82 Cb 0.08 -0.04 0.07 0.00 0.00 0.00 0.00 23.12 23.23 4azu s ALA 82 CO 0.89 -0.51 0.62 -3.38 0.00 0.00 0.00 175.76 173.38 4azu s HIS 83 N -2.13 -0.57 0.66 0.00 -3.43 -1.26 -0.77 115.29 107.79 4azu s HIS 83 Ca -0.00 0.71 0.01 0.00 -0.80 0.00 0.00 55.06 54.98 4azu s HIS 83 Cb -0.01 0.45 0.13 0.00 -1.43 0.00 0.00 32.58 31.72 4azu s HIS 83 CO -0.03 -0.70 0.90 0.25 -2.00 0.00 0.00 174.74 173.17 4azu n THR 84 N 0.36 0.00 -1.40 -5.38 -2.24 -0.11 -4.84 114.28 100.67 4azu n THR 84 Ca -0.18 -1.52 -0.29 0.00 -2.27 0.00 0.00 64.05 59.79 4azu n THR 84 Cb 0.60 -0.87 0.15 0.00 -2.10 0.00 0.00 70.33 68.11 4azu n THR 84 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 4azu s LYS 85 N -4.85 0.99 -0.14 -0.78 1.02 -1.26 -4.67 119.74 110.04 4azu s LYS 85 Ca 0.61 0.42 -0.22 0.00 0.02 0.00 0.00 55.97 56.80 4azu s LYS 85 Cb -0.04 -1.81 -0.03 0.00 -0.52 0.00 0.00 37.83 35.43 4azu s LYS 85 CO 0.40 -2.33 0.64 -1.17 -0.92 0.00 0.00 175.35 171.97 4azu s LEU 86 N -6.16 4.23 0.16 3.17 2.96 -1.26 -4.32 118.68 117.44 4azu s LEU 86 Ca 0.64 0.97 0.10 0.00 -0.22 0.00 0.00 54.13 55.63 4azu s LEU 86 Cb -0.16 -2.95 -0.04 0.00 0.50 0.00 0.00 46.19 43.54 4azu s LEU 86 CO 0.55 -0.18 -0.24 0.27 -1.32 0.00 0.00 176.35 175.43 4azu s ILE 87 N 1.34 2.16 0.61 6.68 -4.36 0.28 -4.87 121.20 123.04 4azu s ILE 87 Ca 0.32 -1.86 0.08 0.00 -0.26 0.00 0.00 60.65 58.94 4azu s ILE 87 Cb -0.16 -1.97 0.10 0.00 1.25 0.00 0.00 42.46 41.68 4azu s ILE 87 CO 0.13 -0.06 0.84 -0.83 0.24 0.00 0.00 174.94 175.26 4azu s GLY 88 N -2.36 1.71 0.52 6.27 0.00 -1.26 -1.35 107.32 110.85 4azu s GLY 88 Ca 0.16 -2.15 -0.23 0.00 0.00 0.00 0.00 44.72 42.50 4azu s GLY 88 CO 0.07 -1.64 1.36 -1.14 0.00 0.00 0.00 173.10 171.76 4azu n SER 89 N -2.37 2.80 0.00 1.64 3.41 -0.92 -2.33 113.62 115.85 4azu n SER 89 Ca 0.16 1.02 0.00 0.00 -0.26 0.00 0.00 58.87 59.79 4azu n SER 89 Cb 0.62 -1.57 0.00 0.00 -0.26 0.00 0.00 64.21 62.99 4azu n SER 89 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 4azu n GLY 90 N 0.73 2.00 3.97 5.00 0.00 -0.16 -4.98 105.19 111.75 4azu n GLY 90 Ca 0.09 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.90 4azu n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 4azu s GLU 91 N -0.05 2.77 -0.04 1.61 2.02 -0.98 -4.95 118.70 119.08 4azu s GLU 91 Ca 0.00 -0.72 -0.07 0.00 0.02 0.00 0.00 54.97 54.21 4azu s GLU 91 Cb 0.00 -2.54 0.01 0.00 0.10 0.00 0.00 34.13 31.70 4azu s GLU 91 CO 0.00 -0.50 0.16 0.21 0.02 0.00 0.00 175.26 175.15 4azu s LYS 92 N -4.64 0.32 -0.10 1.61 2.47 -1.26 -3.16 119.74 114.98 4azu s LYS 92 Ca 0.53 -0.03 -0.18 0.00 -1.56 0.00 0.00 55.97 54.73 4azu s LYS 92 Cb -0.10 0.14 0.04 0.00 -1.46 0.00 0.00 37.83 36.45 4azu s LYS 92 CO 0.38 -0.06 0.45 0.34 0.16 0.00 0.00 175.35 176.62 4azu s ASP 93 N -0.53 -0.42 0.13 1.43 2.15 -0.55 -5.02 116.67 113.86 4azu s ASP 93 Ca -0.06 0.62 0.08 0.00 0.43 0.00 0.00 52.55 53.62 4azu s ASP 93 Cb -0.04 0.67 -0.04 0.00 -0.30 0.00 0.00 42.92 43.21 4azu s ASP 93 CO 0.01 -0.34 -0.20 -0.44 -0.17 0.00 0.00 175.17 174.03 4azu s SER 94 N -0.53 2.61 -0.02 -0.34 0.01 -1.26 -0.64 113.70 113.52 4azu s SER 94 Ca -0.07 -0.77 0.01 0.00 1.31 0.00 0.00 55.95 56.43 4azu s SER 94 Cb -0.03 -0.15 0.02 0.00 0.21 0.00 0.00 66.02 66.06 4azu s SER 94 CO 0.04 0.01 -0.02 0.54 0.41 0.00 0.00 173.24 174.21 4azu s VAL 95 N -1.61 0.29 -0.08 3.43 0.11 -0.51 -4.92 120.40 117.12 4azu s VAL 95 Ca 0.11 -0.05 0.02 0.00 -2.93 0.00 0.00 61.98 59.14 4azu s VAL 95 Cb -0.08 -0.32 -0.02 0.00 -1.53 0.00 0.00 36.38 34.43 4azu s VAL 95 CO 0.05 0.14 -0.15 -0.89 -3.33 0.00 0.00 175.10 170.92 4azu s THR 96 N 0.59 2.94 0.06 5.04 2.01 -1.26 -0.80 115.64 124.23 4azu s THR 96 Ca -0.06 -0.74 0.00 0.00 0.31 0.00 0.00 61.69 61.20 4azu s THR 96 Cb -0.09 -2.17 -0.04 0.00 0.01 0.00 0.00 72.50 70.20 4azu s THR 96 CO -0.01 0.56 -0.05 0.72 -0.69 0.00 0.00 174.62 175.16 4azu s PHE 97 N -0.25 0.65 -0.07 4.92 -0.71 -0.25 -4.94 117.98 117.31 4azu s PHE 97 Ca 0.01 -0.93 -0.30 0.00 -1.04 0.00 0.00 56.93 54.67 4azu s PHE 97 Cb -0.13 -0.42 -0.03 0.00 -1.21 0.00 0.00 43.02 41.23 4azu s PHE 97 CO 0.03 -0.26 1.14 -0.51 -1.34 0.00 0.00 175.22 174.28 4azu s ASP 98 N -2.75 7.11 0.42 1.98 1.01 -1.26 -1.20 116.67 121.98 4azu s ASP 98 Ca 0.06 1.72 0.29 0.00 0.71 0.00 0.00 52.55 55.33 4azu s ASP 98 Cb 0.04 -2.56 1.37 0.00 1.01 0.00 0.00 42.92 42.79 4azu s ASP 98 CO -0.07 -0.54 1.88 0.58 0.21 0.00 0.00 175.17 177.23 4azu h VAL 99 N 5.05 0.00 0.00 -1.27 2.07 -1.54 -1.94 116.25 118.62 4azu h VAL 99 Ca -0.33 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 66.99 4azu h VAL 99 Cb 1.15 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 31.91 4azu h VAL 99 CO 0.87 0.00 0.00 0.77 0.02 0.00 0.00 177.57 179.23 4azu h SER 100 N 0.00 0.00 0.01 0.57 4.64 -1.89 -1.74 113.55 115.14 4azu h SER 100 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 4azu h SER 100 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 4azu h SER 100 CO 0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 4azu n LYS 101 N -2.46 0.81 -4.71 4.77 5.02 -0.73 -4.77 118.16 116.09 4azu n LYS 101 Ca 0.01 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 55.99 4azu n LYS 101 Cb 0.23 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.61 4azu n LYS 101 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 4azu s LEU 102 N -2.02 2.62 0.08 -0.35 1.43 -0.66 -5.12 118.68 114.68 4azu s LEU 102 Ca 0.39 -0.38 0.02 0.00 -1.03 0.00 0.00 54.13 53.12 4azu s LEU 102 Cb 0.18 -1.53 -0.04 0.00 0.03 0.00 0.00 46.19 44.83 4azu s LEU 102 CO 0.31 0.27 0.16 -0.54 0.23 0.00 0.00 176.35 176.77 4azu s LYS 103 N -1.31 3.16 0.40 1.70 1.02 -1.26 -5.05 119.74 118.40 4azu s LYS 103 Ca 0.14 -0.59 -0.18 0.00 0.02 0.00 0.00 55.97 55.36 4azu s LYS 103 Cb -0.11 -2.87 -0.10 0.00 -0.52 0.00 0.00 37.83 34.23 4azu s LYS 103 CO 0.04 0.57 0.87 -1.83 -0.92 0.00 0.00 175.35 174.09 4azu s GLU 104 N -2.57 4.11 -0.80 1.68 -1.05 -1.26 -3.81 118.70 115.00 4azu s GLU 104 Ca 0.32 0.92 0.00 0.00 -0.15 0.00 0.00 54.97 56.06 4azu s GLU 104 Cb -0.12 -2.27 0.00 0.00 -0.44 0.00 0.00 34.13 31.29 4azu s GLU 104 CO 0.25 0.02 0.00 0.41 0.95 0.00 0.00 175.26 176.89 4azu n GLY 105 N -0.65 0.68 3.22 -3.83 0.00 -1.26 -5.02 105.19 98.33 4azu n GLY 105 Ca 0.06 -0.64 -0.23 0.00 0.00 0.00 0.00 46.02 45.21 4azu n GLY 105 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 4azu s GLU 106 N -3.25 1.15 -0.23 1.61 2.12 -1.25 -5.13 118.70 113.72 4azu s GLU 106 Ca 0.00 -0.92 -0.10 0.00 0.36 0.00 0.00 54.97 54.30 4azu s GLU 106 Cb 0.00 -1.25 -0.05 0.00 0.26 0.00 0.00 34.13 33.09 4azu s GLU 106 CO 0.00 0.31 0.15 -0.65 -0.54 0.00 0.00 175.26 174.53 4azu s GLN 107 N -1.34 4.09 0.22 4.30 -1.52 -1.26 -4.84 119.66 119.31 4azu s GLN 107 Ca 0.05 -0.26 0.11 0.00 -1.95 0.00 0.00 55.36 53.30 4azu s GLN 107 Cb -0.09 -3.51 -0.05 0.00 -0.22 0.00 0.00 33.01 29.15 4azu s GLN 107 CO 0.02 0.12 -0.18 0.71 -0.25 0.00 0.00 175.29 175.71 4azu s TYR 108 N 0.90 2.41 -0.02 0.91 2.02 -1.20 -0.55 117.35 121.81 4azu s TYR 108 Ca 0.08 -0.31 0.02 0.00 -0.37 0.00 0.00 57.07 56.49 4azu s TYR 108 Cb -0.13 -1.14 0.00 0.00 -0.40 0.00 0.00 41.96 40.29 4azu s TYR 108 CO 0.03 0.57 -0.09 -1.64 -1.57 0.00 0.00 175.55 172.85 4azu s MET 109 N -3.01 0.87 0.07 -0.62 -1.94 -0.34 -1.86 119.30 112.48 4azu s MET 109 Ca 0.25 -0.29 0.04 0.00 -1.71 0.00 0.00 55.69 53.98 4azu s MET 109 Cb -0.07 -0.83 -0.04 0.00 2.01 0.00 0.00 34.83 35.90 4azu s MET 109 CO 0.13 0.12 0.01 -0.59 -0.01 0.00 0.00 175.02 174.69 4azu s PHE 110 N 0.12 3.04 0.22 -0.03 -0.12 -0.17 -1.86 117.98 119.17 4azu s PHE 110 Ca -0.02 0.01 -0.23 0.00 -0.05 0.00 0.00 56.93 56.64 4azu s PHE 110 Cb -0.07 -1.57 0.04 0.00 -0.63 0.00 0.00 43.02 40.78 4azu s PHE 110 CO 0.00 0.48 0.84 -0.59 -0.05 0.00 0.00 175.22 175.91 4azu s PHE 111 N -1.28 -0.16 -0.09 3.49 -0.71 -0.55 -1.10 117.98 117.57 4azu s PHE 111 Ca 0.25 -0.22 -0.01 0.00 -1.04 0.00 0.00 56.93 55.91 4azu s PHE 111 Cb -0.12 0.67 -0.03 0.00 -1.21 0.00 0.00 43.02 42.34 4azu s PHE 111 CO 0.17 -1.03 -0.04 0.00 -1.34 0.00 0.00 175.22 172.98 4azu n THR 113 N 2.52 0.85 -1.92 0.00 -2.24 -1.26 -3.28 114.28 108.95 4azu n THR 113 Ca -0.18 -0.93 -0.42 0.00 -2.27 0.00 0.00 64.05 60.26 4azu n THR 113 Cb 0.53 0.64 -0.02 0.00 -2.10 0.00 0.00 70.33 69.38 4azu n THR 113 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 4azu s PHE 114 N -1.13 2.96 -0.27 4.78 2.19 -1.26 -4.56 117.98 120.69 4azu s PHE 114 Ca 0.44 0.82 -0.42 0.00 0.33 0.00 0.00 56.93 58.09 4azu s PHE 114 Cb 0.24 -3.93 -0.18 0.00 -1.31 0.00 0.00 43.02 37.83 4azu s PHE 114 CO 0.31 -3.19 1.50 -2.30 1.83 0.00 0.00 175.22 173.37 4azu n PRO 115 N 2.85 0.45 0.00 10.12 -0.02 -1.26 -1.07 135.00 146.06 4azu n PRO 115 Ca 0.10 0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 4azu n PRO 115 Cb 0.39 -1.73 0.00 0.00 -0.02 0.00 0.00 33.50 32.14 4azu n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 4azu n GLY 116 N 3.36 2.98 0.21 -1.23 0.00 -1.26 -4.88 105.19 104.36 4azu n GLY 116 Ca 0.26 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.34 4azu n GLY 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 4azu h HIS 117 N 0.00 0.00 0.00 1.61 3.86 -1.37 -3.15 115.15 116.10 4azu h HIS 117 Ca 0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 4azu h HIS 117 Cb 0.00 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.47 4azu h HIS 117 CO 0.00 0.29 -0.05 0.66 0.86 0.00 0.00 177.93 179.70 4azu h SER 118 N 0.00 0.00 -0.81 2.45 4.64 -1.73 0.17 113.55 118.27 4azu h SER 118 Ca -0.00 0.00 0.14 0.00 -0.47 0.00 0.00 61.79 61.45 4azu h SER 118 Cb 0.60 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.63 4azu h SER 118 CO 0.04 0.05 0.53 0.00 -0.87 0.00 0.00 176.83 176.58 4azu h ALA 119 N 1.95 1.94 0.00 5.18 0.00 -1.90 -3.21 119.26 123.22 4azu h ALA 119 Ca -0.00 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 4azu h ALA 119 Cb 0.40 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 4azu h ALA 119 CO 0.01 -0.15 -1.77 1.28 0.00 0.00 0.00 179.25 178.62 4azu n LEU 120 N -4.52 0.61 -4.33 0.00 4.77 -0.63 -4.87 117.00 108.03 4azu n LEU 120 Ca 0.15 -0.02 -0.46 0.00 -0.03 0.00 0.00 56.01 55.65 4azu n LEU 120 Cb 0.47 0.12 -0.02 0.00 -2.33 0.00 0.00 43.42 41.66 4azu n LEU 120 CO 0.31 0.37 0.52 -0.04 -1.33 0.00 0.00 177.39 177.23 4azu s MET 121 N -2.27 3.76 0.07 3.23 -1.94 0.52 -4.77 119.30 117.89 4azu s MET 121 Ca -0.08 -2.70 -0.26 0.00 -1.71 0.00 0.00 55.69 50.94 4azu s MET 121 Cb 0.04 -4.45 0.07 0.00 2.01 0.00 0.00 34.83 32.50 4azu s MET 121 CO 0.43 -1.27 0.66 -1.59 -0.01 0.00 0.00 175.02 173.24 4azu s LYS 122 N -0.28 1.15 0.29 2.03 0.00 -1.26 -2.52 119.74 119.15 4azu s LYS 122 Ca 0.22 -0.19 -0.19 0.00 0.00 0.00 0.00 55.97 55.80 4azu s LYS 122 Cb -0.10 0.53 0.06 0.00 0.00 0.00 0.00 37.83 38.32 4azu s LYS 122 CO -0.09 -0.46 0.89 0.20 0.00 0.00 0.00 175.35 175.90 4azu s GLY 123 N -2.16 0.20 0.10 0.59 0.00 -0.26 -4.81 107.32 100.99 4azu s GLY 123 Ca -0.03 -0.51 0.02 0.00 0.00 0.00 0.00 44.72 44.20 4azu s GLY 123 CO -0.05 0.77 0.21 -0.51 0.00 0.00 0.00 173.10 173.53 4azu s THR 124 N -2.41 5.18 -0.01 0.90 -4.23 -0.65 -1.00 115.64 113.41 4azu s THR 124 Ca 0.17 -0.60 0.04 0.00 -1.18 0.00 0.00 61.69 60.13 4azu s THR 124 Cb -0.04 -3.58 -0.01 0.00 1.34 0.00 0.00 72.50 70.21 4azu s THR 124 CO 0.08 0.04 -0.13 -0.22 -0.54 0.00 0.00 174.62 173.85 4azu s LEU 125 N -2.78 2.00 0.03 4.79 0.20 -0.78 -1.51 118.68 120.63 4azu s LEU 125 Ca 0.34 -0.23 -0.03 0.00 0.69 0.00 0.00 54.13 54.90 4azu s LEU 125 Cb -0.12 -0.67 -0.02 0.00 -0.43 0.00 0.00 46.19 44.95 4azu s LEU 125 CO 0.27 0.15 0.02 0.28 -0.29 0.00 0.00 176.35 176.79 4azu s THR 126 N -0.25 0.13 0.48 3.68 -1.32 -0.92 -3.25 115.64 114.19 4azu s THR 126 Ca 0.04 -1.11 -0.18 0.00 -1.21 0.00 0.00 61.69 59.23 4azu s THR 126 Cb -0.05 -0.69 -0.09 0.00 -1.51 0.00 0.00 72.50 70.15 4azu s THR 126 CO -0.00 -0.61 0.97 -0.76 -2.21 0.00 0.00 174.62 172.01 4azu s LEU 127 N -1.91 3.74 0.00 9.08 1.43 -1.26 -0.36 118.68 129.40 4azu s LEU 127 Ca -0.08 1.61 0.00 0.00 -1.03 0.00 0.00 54.13 54.62 4azu s LEU 127 Cb -0.04 -4.51 0.00 0.00 0.03 0.00 0.00 46.19 41.67 4azu s LEU 127 CO -0.03 -0.50 0.00 1.17 0.23 0.00 0.00 176.35 177.21