#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nzr s GLU 2 N 0.00 3.22 -0.94 0.00 2.12 -1.26 -4.46 118.70 117.39 1nzr s GLU 2 Ca 0.00 -0.54 0.00 0.00 0.36 0.00 0.00 54.97 54.79 1nzr s GLU 2 Cb 0.00 -4.00 0.00 0.00 0.26 0.00 0.00 34.13 30.39 1nzr s GLU 2 CO 0.00 -1.08 0.00 0.00 -0.54 0.00 0.00 175.26 173.64 1nzr s SER 4 N -2.02 -0.34 -0.02 0.00 1.04 -1.26 -1.37 113.70 109.73 1nzr s SER 4 Ca 0.00 0.04 0.02 0.00 0.48 0.00 0.00 55.95 56.49 1nzr s SER 4 Cb 0.00 0.45 0.01 0.00 0.10 0.00 0.00 66.02 66.58 1nzr s SER 4 CO 0.00 -0.70 -0.05 0.54 0.98 0.00 0.00 173.24 174.01 1nzr s VAL 5 N -2.57 0.50 -0.17 5.02 0.11 0.13 -0.18 120.40 123.24 1nzr s VAL 5 Ca -0.05 -0.20 -0.14 0.00 -2.93 0.00 0.00 61.98 58.66 1nzr s VAL 5 Cb -0.01 -0.47 -0.04 0.00 -1.53 0.00 0.00 36.38 34.33 1nzr s VAL 5 CO -0.03 0.17 0.32 -1.81 -3.33 0.00 0.00 175.10 170.42 1nzr s ASP 6 N 0.31 6.44 0.10 3.54 1.01 -1.26 -0.46 116.67 126.34 1nzr s ASP 6 Ca -0.04 0.51 0.03 0.00 0.71 0.00 0.00 52.55 53.76 1nzr s ASP 6 Cb -0.08 -2.19 -0.04 0.00 1.01 0.00 0.00 42.92 41.62 1nzr s ASP 6 CO -0.00 0.06 -0.09 -0.51 0.21 0.00 0.00 175.17 174.84 1nzr s ILE 7 N 0.65 0.88 -0.02 0.77 2.07 0.17 -4.94 121.20 120.78 1nzr s ILE 7 Ca 0.17 -1.76 0.02 0.00 -1.41 0.00 0.00 60.65 57.67 1nzr s ILE 7 Cb -0.13 -1.49 0.01 0.00 0.13 0.00 0.00 42.46 40.98 1nzr s ILE 7 CO 0.05 -0.67 -0.06 -1.10 -1.91 0.00 0.00 174.94 171.24 1nzr s GLN 8 N -3.18 0.73 -0.24 3.50 -0.21 -1.26 -1.93 119.66 117.07 1nzr s GLN 8 Ca 0.08 -0.20 -0.06 0.00 0.02 0.00 0.00 55.36 55.19 1nzr s GLN 8 Cb 0.00 -0.72 -0.02 0.00 1.00 0.00 0.00 33.01 33.27 1nzr s GLN 8 CO -0.01 0.06 0.04 0.20 -2.12 0.00 0.00 175.29 173.45 1nzr s GLY 9 N 0.30 1.72 0.57 3.09 0.00 0.09 -1.27 107.32 111.82 1nzr s GLY 9 Ca -0.04 -1.13 0.07 0.00 0.00 0.00 0.00 44.72 43.61 1nzr s GLY 9 CO 0.00 0.50 0.54 0.54 0.00 0.00 0.00 173.10 174.68 1nzr s ASN 10 N 1.55 4.74 0.00 1.64 2.20 -0.81 -3.25 114.94 121.01 1nzr s ASN 10 Ca 0.06 -1.18 0.24 0.00 -0.94 0.00 0.00 52.86 51.05 1nzr s ASN 10 Cb -0.15 0.51 1.46 0.00 -2.00 0.00 0.00 41.25 41.07 1nzr s ASN 10 CO 0.02 -1.25 1.87 0.47 -2.94 0.00 0.00 177.10 175.26 1nzr n ASP 11 N -1.96 0.00 -0.75 3.54 8.00 -1.25 -2.84 116.55 121.29 1nzr n ASP 11 Ca 0.04 -0.97 0.09 0.00 0.71 0.00 0.00 54.79 54.66 1nzr n ASP 11 Cb 0.64 0.00 0.27 0.00 -0.02 0.00 0.00 41.12 42.01 1nzr n ASP 11 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1nzr n GLN 12 N -0.94 1.96 -3.31 -1.24 3.00 -1.26 -4.92 117.38 110.67 1nzr n GLN 12 Ca 0.18 -1.48 -0.16 0.00 -0.01 0.00 0.00 57.00 55.54 1nzr n GLN 12 Cb 0.08 -1.39 0.08 0.00 0.00 0.00 0.00 30.24 29.02 1nzr n GLN 12 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.06 175.73 1nzr n MET 13 N 0.69 -4.98 -3.93 -1.09 2.81 -1.13 -5.04 117.12 104.44 1nzr n MET 13 Ca 0.16 0.82 -0.13 0.00 -1.81 0.00 0.00 57.70 56.75 1nzr n MET 13 Cb 0.39 -5.72 -0.14 0.00 -0.71 0.00 0.00 33.22 27.03 1nzr n MET 13 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 1nzr s GLN 14 N -4.99 0.11 0.09 0.03 -0.21 -1.26 -4.40 119.66 109.04 1nzr s GLN 14 Ca 0.15 -0.08 0.00 0.00 0.02 0.00 0.00 55.36 55.45 1nzr s GLN 14 Cb -0.02 -0.08 -0.04 0.00 1.00 0.00 0.00 33.01 33.88 1nzr s GLN 14 CO 0.71 0.02 0.25 -0.06 -2.12 0.00 0.00 175.29 174.08 1nzr s PHE 15 N -0.13 3.51 -2.00 0.91 0.08 -1.26 -1.93 117.98 117.16 1nzr s PHE 15 Ca -0.01 0.24 0.25 0.00 0.12 0.00 0.00 56.93 57.53 1nzr s PHE 15 Cb -0.01 -1.76 1.47 0.00 -0.57 0.00 0.00 43.02 42.16 1nzr s PHE 15 CO -0.00 0.55 1.91 0.27 -0.10 0.00 0.00 175.22 177.86 1nzr n ASN 16 N 0.02 0.00 -3.89 1.36 6.94 -0.40 -4.81 115.26 114.49 1nzr n ASN 16 Ca -0.05 -1.11 -0.10 0.00 -0.02 0.00 0.00 54.58 53.30 1nzr n ASN 16 Cb 0.52 0.00 -0.09 0.00 -2.36 0.00 0.00 39.78 37.85 1nzr n ASN 16 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1nzr s THR 17 N -2.00 0.13 -0.04 5.53 -1.32 -1.26 -4.98 115.64 111.69 1nzr s THR 17 Ca 0.37 -1.07 0.10 0.00 -1.21 0.00 0.00 61.69 59.89 1nzr s THR 17 Cb 0.17 -1.03 0.18 0.00 -1.51 0.00 0.00 72.50 70.32 1nzr s THR 17 CO 0.29 -0.59 1.08 -0.46 -2.21 0.00 0.00 174.62 172.73 1nzr n ASN 18 N 0.52 0.81 -3.53 8.08 0.23 -1.26 -4.84 115.26 115.26 1nzr n ASN 18 Ca -0.18 -2.37 -0.01 0.00 -0.53 0.00 0.00 54.58 51.49 1nzr n ASN 18 Cb 0.60 -0.29 -0.04 0.00 -2.08 0.00 0.00 39.78 37.96 1nzr n ASN 18 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1nzr s ALA 19 N -0.82 -1.95 -0.12 -2.53 0.00 -1.26 -2.46 121.76 112.63 1nzr s ALA 19 Ca 0.17 2.09 0.00 0.00 0.00 0.00 0.00 51.96 54.22 1nzr s ALA 19 Cb 0.17 -1.81 -0.02 0.00 0.00 0.00 0.00 23.12 21.47 1nzr s ALA 19 CO -0.04 -1.01 -0.13 0.42 0.00 0.00 0.00 175.76 175.01 1nzr s ILE 20 N 2.84 3.12 -0.20 0.00 1.01 0.28 -4.96 121.20 123.29 1nzr s ILE 20 Ca 0.01 -0.65 -0.05 0.00 0.00 0.00 0.00 60.65 59.96 1nzr s ILE 20 Cb -0.13 -2.30 -0.02 0.00 0.01 0.00 0.00 42.46 40.02 1nzr s ILE 20 CO -0.19 0.54 -0.00 -0.89 0.00 0.00 0.00 174.94 174.40 1nzr s THR 21 N 0.13 3.95 -0.14 2.92 2.01 -1.26 -0.32 115.64 122.93 1nzr s THR 21 Ca -0.06 -0.32 -0.03 0.00 0.31 0.00 0.00 61.69 61.59 1nzr s THR 21 Cb -0.15 -2.78 -0.03 0.00 0.01 0.00 0.00 72.50 69.55 1nzr s THR 21 CO 0.05 0.43 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.68 1nzr s VAL 22 N 0.94 3.93 0.01 3.82 1.01 0.36 -4.91 120.40 125.56 1nzr s VAL 22 Ca 0.01 -0.35 -0.22 0.00 0.00 0.00 0.00 61.98 61.42 1nzr s VAL 22 Cb -0.14 -2.71 -0.05 0.00 0.00 0.00 0.00 36.38 33.48 1nzr s VAL 22 CO 0.02 0.51 0.64 -0.62 0.00 0.00 0.00 175.10 175.65 1nzr s ASP 23 N 0.15 7.03 0.49 3.32 2.15 -1.26 -1.19 116.67 127.36 1nzr s ASP 23 Ca -0.01 1.23 0.27 0.00 0.43 0.00 0.00 52.55 54.47 1nzr s ASP 23 Cb -0.14 -2.39 1.35 0.00 -0.30 0.00 0.00 42.92 41.44 1nzr s ASP 23 CO 0.03 0.07 1.86 0.11 -0.17 0.00 0.00 175.17 177.08 1nzr h LYS 24 N 5.68 0.14 0.00 4.34 1.57 -1.70 -0.12 116.57 126.48 1nzr h LYS 24 Ca -0.45 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1nzr h LYS 24 Cb 1.20 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.48 1nzr h LYS 24 CO 0.70 0.09 0.00 0.43 -0.57 0.00 0.00 179.45 180.10 1nzr n SER 25 N -4.36 0.00 -4.75 0.86 7.64 -1.26 -4.76 113.62 106.99 1nzr n SER 25 Ca 0.20 0.06 -0.40 0.00 1.01 0.00 0.00 58.87 59.74 1nzr n SER 25 Cb 0.91 -0.30 -0.06 0.00 -1.01 0.00 0.00 64.21 63.75 1nzr n SER 25 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1nzr h LYS 27 N 4.09 0.55 -4.88 0.00 6.56 -1.88 -3.43 116.57 117.59 1nzr h LYS 27 Ca -0.45 -0.88 -0.32 0.00 -1.06 0.00 0.00 60.65 57.94 1nzr h LYS 27 Cb 1.20 0.32 -0.20 0.00 -0.57 0.00 0.00 32.23 32.98 1nzr h LYS 27 CO 0.68 1.42 -0.74 -0.65 -2.06 0.00 0.00 179.45 178.09 1nzr s GLN 28 N -2.70 0.73 -0.05 3.15 -0.21 -1.26 -1.20 119.66 118.12 1nzr s GLN 28 Ca -0.09 -0.99 0.03 0.00 0.02 0.00 0.00 55.36 54.33 1nzr s GLN 28 Cb 0.04 -0.49 0.00 0.00 1.00 0.00 0.00 33.01 33.57 1nzr s GLN 28 CO 0.94 0.08 -0.14 0.12 -2.12 0.00 0.00 175.29 174.17 1nzr s PHE 29 N -1.92 1.52 -0.15 0.91 5.36 -0.57 -4.84 117.98 118.28 1nzr s PHE 29 Ca -0.01 -0.46 -0.02 0.00 -0.96 0.00 0.00 56.93 55.48 1nzr s PHE 29 Cb -0.06 -1.05 -0.02 0.00 -0.34 0.00 0.00 43.02 41.55 1nzr s PHE 29 CO 0.00 -0.18 -0.09 0.99 -1.46 0.00 0.00 175.22 174.47 1nzr s THR 30 N 0.22 3.29 -0.10 0.12 2.01 -0.47 -2.27 115.64 118.45 1nzr s THR 30 Ca -0.07 -0.56 -0.00 0.00 0.31 0.00 0.00 61.69 61.36 1nzr s THR 30 Cb -0.12 -2.42 -0.03 0.00 0.01 0.00 0.00 72.50 69.94 1nzr s THR 30 CO 0.02 0.50 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.70 1nzr s VAL 31 N 0.55 3.68 -0.27 3.82 1.01 -0.57 0.19 120.40 128.80 1nzr s VAL 31 Ca -0.06 -0.47 0.01 0.00 0.00 0.00 0.00 61.98 61.46 1nzr s VAL 31 Cb -0.15 -2.54 0.08 0.00 0.00 0.00 0.00 36.38 33.76 1nzr s VAL 31 CO 0.03 0.56 -0.00 0.20 0.00 0.00 0.00 175.10 175.89 1nzr s ASN 32 N -0.37 4.05 -0.14 3.32 0.01 0.39 -1.26 114.94 120.94 1nzr s ASN 32 Ca 0.05 -1.45 -0.12 0.00 -0.71 0.00 0.00 52.86 50.63 1nzr s ASN 32 Cb -0.12 -1.20 -0.05 0.00 0.41 0.00 0.00 41.25 40.29 1nzr s ASN 32 CO 0.02 -0.30 0.26 -0.22 -1.51 0.00 0.00 177.10 175.35 1nzr s LEU 33 N 1.35 4.29 0.20 0.60 2.96 0.96 -0.65 118.68 128.38 1nzr s LEU 33 Ca 0.00 0.51 0.02 0.00 -0.22 0.00 0.00 54.13 54.44 1nzr s LEU 33 Cb -0.19 -2.30 -0.05 0.00 0.50 0.00 0.00 46.19 44.15 1nzr s LEU 33 CO -0.10 0.18 0.00 -0.94 -1.32 0.00 0.00 176.35 174.18 1nzr s SER 34 N 0.06 1.46 -0.43 3.68 1.04 -0.81 -1.22 113.70 117.47 1nzr s SER 34 Ca 0.16 -1.20 0.02 0.00 0.48 0.00 0.00 55.95 55.41 1nzr s SER 34 Cb -0.13 0.08 0.15 0.00 0.10 0.00 0.00 66.02 66.22 1nzr s SER 34 CO 0.04 -0.55 0.28 -2.28 0.98 0.00 0.00 173.24 171.71 1nzr s HIS 35 N -3.56 1.51 0.44 5.02 2.46 -1.13 -0.73 115.29 119.29 1nzr s HIS 35 Ca 0.26 -2.24 -0.25 0.00 0.47 0.00 0.00 55.06 53.30 1nzr s HIS 35 Cb 0.06 -1.41 -0.08 0.00 -0.13 0.00 0.00 32.58 31.02 1nzr s HIS 35 CO 0.06 -0.79 1.41 -1.25 -2.47 0.00 0.00 174.74 171.70 1nzr s PRO 36 N 0.32 3.75 0.00 2.88 0.04 -1.20 -1.28 135.00 139.51 1nzr s PRO 36 Ca 0.22 2.38 0.00 0.00 0.04 0.00 0.00 61.00 63.64 1nzr s PRO 36 Cb -0.14 -2.68 0.00 0.00 0.04 0.00 0.00 34.50 31.71 1nzr s PRO 36 CO -0.07 -0.75 0.00 0.41 0.04 0.00 0.00 177.00 176.63 1nzr n GLY 37 N 0.59 0.67 0.00 0.56 0.00 -1.26 -3.82 105.19 101.93 1nzr n GLY 37 Ca 0.05 -2.11 0.00 0.00 0.00 0.00 0.00 46.02 43.96 1nzr n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1nzr n ASN 38 N 0.67 0.50 -4.77 1.61 4.13 -1.26 -4.38 115.26 111.76 1nzr n ASN 38 Ca 0.00 -0.31 -0.39 0.00 1.68 0.00 0.00 54.58 55.57 1nzr n ASN 38 Cb 0.00 0.71 -0.06 0.00 -1.54 0.00 0.00 39.78 38.89 1nzr n ASN 38 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1nzr s LEU 39 N -1.52 4.47 1.05 3.41 1.43 -1.26 -4.83 118.68 121.42 1nzr s LEU 39 Ca 0.00 1.97 -0.13 0.00 -1.03 0.00 0.00 54.13 54.94 1nzr s LEU 39 Cb 0.00 -3.82 0.22 0.00 0.03 0.00 0.00 46.19 42.62 1nzr s LEU 39 CO 0.00 -0.04 1.09 -2.16 0.23 0.00 0.00 176.35 175.47 1nzr s PRO 40 N -1.67 0.03 0.16 1.29 0.04 -1.26 -2.20 135.00 131.38 1nzr s PRO 40 Ca 0.47 0.47 -0.16 0.00 0.04 0.00 0.00 61.00 61.82 1nzr s PRO 40 Cb -0.24 -1.69 0.07 0.00 0.04 0.00 0.00 34.50 32.68 1nzr s PRO 40 CO 0.30 -2.99 1.74 -0.22 0.04 0.00 0.00 177.00 175.86 1nzr h LYS 41 N -2.08 0.21 0.00 4.56 3.64 -1.85 -0.18 116.57 120.87 1nzr h LYS 41 Ca -0.55 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.81 1nzr h LYS 41 Cb 1.33 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 1nzr h LYS 41 CO 0.55 0.14 0.00 0.27 -2.27 0.00 0.00 179.45 178.14 1nzr n ASN 42 N -5.07 0.00 0.00 4.20 6.94 -1.26 -0.47 115.26 119.60 1nzr n ASN 42 Ca 0.01 0.22 0.00 0.00 -0.02 0.00 0.00 54.58 54.80 1nzr n ASN 42 Cb 0.15 -0.31 0.00 0.00 -2.36 0.00 0.00 39.78 37.26 1nzr n ASN 42 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 1nzr n VAL 43 N -1.31 0.00 -2.61 3.53 0.31 -0.82 -4.82 118.33 112.60 1nzr n VAL 43 Ca 0.03 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.24 1nzr n VAL 43 Cb 0.06 -0.48 0.03 0.00 -0.91 0.00 0.00 33.84 32.54 1nzr n VAL 43 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 1nzr n MET 44 N -2.42 1.89 -1.91 5.55 0.00 -0.14 -5.03 117.12 115.05 1nzr n MET 44 Ca 0.00 -3.62 -0.38 0.00 0.00 0.00 0.00 57.70 53.71 1nzr n MET 44 Cb 0.47 -1.59 0.03 0.00 0.00 0.00 0.00 33.22 32.13 1nzr n MET 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 1nzr s GLY 45 N -3.37 2.85 -0.00 -5.12 0.00 0.38 -4.73 107.32 97.32 1nzr s GLY 45 Ca 0.33 1.21 0.01 0.00 0.00 0.00 0.00 44.72 46.27 1nzr s GLY 45 CO -0.02 1.70 -0.02 0.30 0.00 0.00 0.00 173.10 175.06 1nzr s HIS 46 N -1.39 0.20 0.08 1.90 3.76 0.45 -4.73 115.29 115.58 1nzr s HIS 46 Ca 0.71 -0.03 0.01 0.00 -0.15 0.00 0.00 55.06 55.59 1nzr s HIS 46 Cb -0.37 -0.14 -0.04 0.00 1.11 0.00 0.00 32.58 33.14 1nzr s HIS 46 CO 0.43 -0.01 -0.05 0.54 -0.85 0.00 0.00 174.74 174.80 1nzr s ASN 47 N -0.00 0.87 -0.25 1.40 2.20 -1.26 -0.11 114.94 117.79 1nzr s ASN 47 Ca 0.00 -1.01 -0.05 0.00 -0.94 0.00 0.00 52.86 50.86 1nzr s ASN 47 Cb -0.01 0.14 -0.00 0.00 -2.00 0.00 0.00 41.25 39.38 1nzr s ASN 47 CO -0.00 -0.53 0.01 -0.32 -2.94 0.00 0.00 177.10 173.32 1nzr s MET 48 N -3.87 3.26 -0.06 3.55 1.75 -1.26 -3.84 119.30 118.82 1nzr s MET 48 Ca 0.10 -0.72 0.04 0.00 -1.25 0.00 0.00 55.69 53.87 1nzr s MET 48 Cb 0.06 -3.16 -0.02 0.00 2.84 0.00 0.00 34.83 34.55 1nzr s MET 48 CO -0.06 -0.30 -0.19 0.08 -0.65 0.00 0.00 175.02 173.89 1nzr s VAL 49 N 1.48 2.58 -0.09 10.11 1.01 0.52 -1.93 120.40 134.08 1nzr s VAL 49 Ca 0.04 -0.88 0.04 0.00 0.00 0.00 0.00 61.98 61.18 1nzr s VAL 49 Cb -0.16 -1.99 -0.01 0.00 0.00 0.00 0.00 36.38 34.23 1nzr s VAL 49 CO -0.01 0.57 -0.22 -0.22 0.00 0.00 0.00 175.10 175.22 1nzr s LEU 50 N -0.33 2.22 0.00 3.92 2.96 -0.67 -1.27 118.68 125.51 1nzr s LEU 50 Ca 0.02 -0.49 -0.00 0.00 -0.22 0.00 0.00 54.13 53.43 1nzr s LEU 50 Cb -0.13 -1.44 0.00 0.00 0.50 0.00 0.00 46.19 45.12 1nzr s LEU 50 CO 0.02 0.19 0.09 -1.54 -1.32 0.00 0.00 176.35 173.79 1nzr n SER 51 N 3.34 -0.24 -4.85 3.68 3.41 -0.95 -0.62 113.62 117.39 1nzr n SER 51 Ca -0.18 -1.33 -0.31 0.00 -0.26 0.00 0.00 58.87 56.79 1nzr n SER 51 Cb 0.53 0.45 0.04 0.00 -0.26 0.00 0.00 64.21 64.96 1nzr n SER 51 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1nzr s THR 52 N -2.50 4.18 0.36 6.66 -4.23 -1.26 -1.23 115.64 117.61 1nzr s THR 52 Ca 0.05 0.71 0.04 0.00 -1.18 0.00 0.00 61.69 61.31 1nzr s THR 52 Cb -0.00 -3.59 0.23 0.00 1.34 0.00 0.00 72.50 70.47 1nzr s THR 52 CO 0.04 -0.92 1.98 0.00 -0.54 0.00 0.00 174.62 175.17 1nzr h ALA 53 N -0.57 1.53 -0.22 3.99 0.00 -0.61 -2.03 119.26 121.35 1nzr h ALA 53 Ca -0.44 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.31 1nzr h ALA 53 Cb 1.21 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1nzr h ALA 53 CO 0.60 0.38 -0.16 0.00 0.00 0.00 0.00 179.25 180.07 1nzr h ALA 54 N 1.60 1.31 0.00 0.00 0.00 -1.92 -3.21 119.26 117.05 1nzr h ALA 54 Ca 0.17 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1nzr h ALA 54 Cb 0.06 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1nzr h ALA 54 CO -0.02 0.46 -0.73 -0.44 0.00 0.00 0.00 179.25 178.51 1nzr h ASP 55 N 0.35 0.00 -0.99 0.00 3.32 -1.75 -3.39 116.42 113.96 1nzr h ASP 55 Ca 0.06 -0.21 0.18 0.00 0.02 0.00 0.00 57.03 57.08 1nzr h ASP 55 Cb 0.49 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 39.87 1nzr h ASP 55 CO 0.03 0.11 -0.32 0.80 -1.72 0.00 0.00 179.24 178.14 1nzr n MET 56 N -2.17 -0.16 -0.29 3.56 0.00 -1.04 -1.73 117.12 115.30 1nzr n MET 56 Ca 0.03 1.53 -0.06 0.00 -0.00 0.00 0.00 57.70 59.20 1nzr n MET 56 Cb 0.45 -2.28 0.06 0.00 0.00 0.00 0.00 33.22 31.46 1nzr n MET 56 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 175.97 176.34 1nzr h GLN 57 N 0.00 1.14 -0.61 2.12 5.75 -1.81 0.42 115.11 122.12 1nzr h GLN 57 Ca 0.41 -0.18 -0.06 0.00 -0.15 0.00 0.00 58.65 58.67 1nzr h GLN 57 Cb 0.66 -0.20 -0.03 0.00 1.07 0.00 0.00 27.48 28.98 1nzr h GLN 57 CO -1.00 0.90 0.16 0.78 -2.65 0.00 0.00 178.83 177.02 1nzr h GLY 58 N 1.12 1.02 0.97 2.39 0.00 -1.62 0.21 103.07 107.16 1nzr h GLY 58 Ca 0.27 -0.60 -0.07 0.00 0.00 0.00 0.00 47.33 46.92 1nzr h GLY 58 CO -0.03 0.57 -0.01 -2.08 0.00 0.00 0.00 176.54 174.99 1nzr h VAL 59 N 0.91 1.26 0.63 4.60 2.07 -0.49 -0.76 116.25 124.47 1nzr h VAL 59 Ca 0.20 -1.05 -0.03 0.00 0.82 0.00 0.00 66.70 66.64 1nzr h VAL 59 Cb 0.31 1.09 0.01 0.00 -1.52 0.00 0.00 31.29 31.18 1nzr h VAL 59 CO -0.00 0.36 -0.30 0.58 0.02 0.00 0.00 177.57 178.23 1nzr h VAL 60 N 0.61 0.19 -0.23 2.57 2.07 -0.63 -1.02 116.25 119.81 1nzr h VAL 60 Ca 0.12 -0.33 0.06 0.00 0.82 0.00 0.00 66.70 67.37 1nzr h VAL 60 Cb 0.50 0.26 -0.07 0.00 -1.52 0.00 0.00 31.29 30.46 1nzr h VAL 60 CO 0.02 0.03 -0.30 0.74 0.02 0.00 0.00 177.57 178.08 1nzr h THR 61 N -1.11 0.30 0.00 2.57 2.02 -1.00 -2.20 112.91 113.48 1nzr h THR 61 Ca -0.09 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.04 1nzr h THR 61 Cb 0.69 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 1nzr h THR 61 CO 0.14 0.00 -0.28 0.44 0.37 0.00 0.00 175.52 176.19 1nzr h ASP 62 N -0.32 0.00 -0.34 4.18 3.32 -1.16 -2.51 116.42 119.59 1nzr h ASP 62 Ca 0.13 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 1nzr h ASP 62 Cb 0.52 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 1nzr h ASP 62 CO -0.41 0.28 0.14 1.23 -1.72 0.00 0.00 179.24 178.76 1nzr h GLY 63 N 1.18 0.54 0.48 2.75 0.00 -0.89 -1.93 103.07 105.19 1nzr h GLY 63 Ca -0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.03 1nzr h GLY 63 CO 0.04 0.27 -0.51 1.98 0.00 0.00 0.00 176.54 178.32 1nzr h MET 64 N 0.40 -0.96 0.00 4.80 1.85 -0.96 -1.52 114.93 118.54 1nzr h MET 64 Ca 0.11 0.07 0.00 0.00 -0.61 0.00 0.00 59.70 59.27 1nzr h MET 64 Cb 0.17 0.22 0.00 0.00 0.43 0.00 0.00 31.60 32.42 1nzr h MET 64 CO -0.01 -0.64 0.09 0.00 -0.40 0.00 0.00 176.91 175.95 1nzr n ALA 65 N -2.83 0.84 0.33 0.39 0.00 -1.11 -2.19 120.51 115.95 1nzr n ALA 65 Ca -0.12 0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.46 1nzr n ALA 65 Cb 0.46 -0.87 0.19 0.00 0.00 0.00 0.00 19.45 19.23 1nzr n ALA 65 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1nzr h SER 66 N 0.00 0.00 -4.54 0.00 0.02 -0.45 -3.50 113.55 105.08 1nzr h SER 66 Ca 0.00 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1nzr h SER 66 Cb 0.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.71 1nzr h SER 66 CO 0.00 0.02 0.00 0.61 -1.14 0.00 0.00 176.83 176.32 1nzr n GLY 67 N 1.20 -0.10 0.26 -3.77 0.00 -0.93 -4.16 105.19 97.68 1nzr n GLY 67 Ca 0.03 -1.73 -0.11 0.00 0.00 0.00 0.00 46.02 44.22 1nzr n GLY 67 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1nzr h LEU 68 N 0.00 0.90 -2.03 0.99 5.85 -1.93 -1.72 115.31 117.38 1nzr h LEU 68 Ca 0.00 -0.38 -0.02 0.00 0.84 0.00 0.00 57.88 58.33 1nzr h LEU 68 Cb 0.00 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 40.78 1nzr h LEU 68 CO 0.00 1.14 -0.08 -2.24 -0.34 0.00 0.00 178.44 176.92 1nzr h ASP 69 N 0.73 0.00 -0.27 1.25 2.03 -2.02 -0.28 116.42 117.85 1nzr h ASP 69 Ca 0.08 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.38 1nzr h ASP 69 Cb 0.88 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.38 1nzr h ASP 69 CO 0.08 0.08 0.00 0.29 -1.03 0.00 0.00 179.24 178.66 1nzr n LYS 70 N -4.06 2.48 -3.24 4.15 4.76 -0.98 -4.89 118.16 116.38 1nzr n LYS 70 Ca -0.03 -1.34 -0.21 0.00 -2.87 0.00 0.00 58.31 53.86 1nzr n LYS 70 Cb 0.16 -1.69 -0.00 0.00 -1.84 0.00 0.00 35.03 31.66 1nzr n LYS 70 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1nzr n ASP 71 N 0.32 -3.67 -3.26 4.39 9.92 -0.12 -1.96 116.55 122.18 1nzr n ASP 71 Ca 0.12 -0.30 -0.21 0.00 -0.53 0.00 0.00 54.79 53.86 1nzr n ASP 71 Cb 0.57 -3.05 -0.01 0.00 -0.64 0.00 0.00 41.12 37.99 1nzr n ASP 71 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1nzr n TYR 72 N -3.84 -1.72 -4.21 1.24 4.01 -0.68 -4.73 117.16 107.22 1nzr n TYR 72 Ca -0.03 0.38 -0.20 0.00 -0.16 0.00 0.00 57.90 57.89 1nzr n TYR 72 Cb 0.55 -2.65 -0.16 0.00 -0.31 0.00 0.00 39.34 36.77 1nzr n TYR 72 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1nzr s LEU 73 N -6.29 1.37 0.03 7.72 1.43 -0.83 -4.13 118.68 118.00 1nzr s LEU 73 Ca 0.35 -0.15 -0.30 0.00 -1.03 0.00 0.00 54.13 53.00 1nzr s LEU 73 Cb -0.19 -0.49 -0.09 0.00 0.03 0.00 0.00 46.19 45.46 1nzr s LEU 73 CO 0.42 -0.04 1.91 -0.75 0.23 0.00 0.00 176.35 178.12 1nzr s LYS 74 N 0.88 4.15 0.26 1.70 2.20 -1.26 -4.87 119.74 122.79 1nzr s LYS 74 Ca -0.12 2.56 -0.29 0.00 -0.36 0.00 0.00 55.97 57.76 1nzr s LYS 74 Cb -0.15 -4.08 -0.09 0.00 -1.51 0.00 0.00 37.83 32.00 1nzr s LYS 74 CO 0.01 -0.93 1.16 -1.25 -0.36 0.00 0.00 175.35 173.98 1nzr s PRO 75 N 4.22 4.55 -1.25 4.03 0.04 -1.26 -2.98 135.00 142.35 1nzr s PRO 75 Ca 0.86 1.89 -0.03 0.00 0.04 0.00 0.00 61.00 63.76 1nzr s PRO 75 Cb -0.42 -3.19 0.00 0.00 0.04 0.00 0.00 34.50 30.94 1nzr s PRO 75 CO 0.39 0.06 1.03 -0.25 0.04 0.00 0.00 177.00 178.28 1nzr n ASP 76 N 1.50 -3.18 -4.67 6.66 8.00 -1.26 -4.91 116.55 118.69 1nzr n ASP 76 Ca 0.01 -0.61 -0.43 0.00 0.71 0.00 0.00 54.79 54.47 1nzr n ASP 76 Cb 0.44 -5.02 -0.02 0.00 -0.02 0.00 0.00 41.12 36.50 1nzr n ASP 76 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1nzr s ASP 77 N -4.07 7.00 0.38 -2.24 -1.08 -1.16 -4.86 116.67 110.65 1nzr s ASP 77 Ca 0.17 1.74 0.28 0.00 -0.52 0.00 0.00 52.55 54.22 1nzr s ASP 77 Cb -0.07 -2.55 1.21 0.00 -1.46 0.00 0.00 42.92 40.05 1nzr s ASP 77 CO 0.74 -0.67 1.83 0.77 0.52 0.00 0.00 175.17 178.36 1nzr h SER 78 N 7.80 0.00 0.57 -0.34 4.64 -1.92 -2.83 113.55 121.47 1nzr h SER 78 Ca -0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 1nzr h SER 78 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1nzr h SER 78 CO 0.93 0.00 -0.36 0.54 -0.87 0.00 0.00 176.83 177.07 1nzr n ARG 79 N -2.56 0.12 -3.15 4.77 1.74 -1.26 -4.86 116.66 111.46 1nzr n ARG 79 Ca 0.01 -0.06 -0.40 0.00 -0.77 0.00 0.00 57.85 56.63 1nzr n ARG 79 Cb 0.22 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 30.10 1nzr n ARG 79 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1nzr s VAL 80 N -2.92 5.04 0.04 1.55 1.01 -1.07 -4.53 120.40 119.51 1nzr s VAL 80 Ca 0.14 1.11 -0.14 0.00 0.00 0.00 0.00 61.98 63.09 1nzr s VAL 80 Cb 0.18 -3.92 -0.33 0.00 0.00 0.00 0.00 36.38 32.31 1nzr s VAL 80 CO 0.64 0.11 1.05 0.40 0.00 0.00 0.00 175.10 177.29 1nzr h ILE 81 N 5.21 1.32 -3.01 2.22 2.04 -1.20 -3.48 117.51 120.61 1nzr h ILE 81 Ca -0.31 -2.71 -0.05 0.00 1.00 0.00 0.00 64.86 62.79 1nzr h ILE 81 Cb 1.14 2.96 -0.14 0.00 -0.74 0.00 0.00 36.82 40.04 1nzr h ILE 81 CO 0.76 0.81 0.04 0.00 0.00 0.00 0.00 178.15 179.77 1nzr s ALA 82 N -2.69 -1.26 0.17 1.87 0.00 -1.25 -5.01 121.76 113.59 1nzr s ALA 82 Ca -0.08 0.37 -0.20 0.00 0.00 0.00 0.00 51.96 52.05 1nzr s ALA 82 Cb 0.05 0.59 0.05 0.00 0.00 0.00 0.00 23.12 23.81 1nzr s ALA 82 CO 0.94 -0.61 0.55 -3.38 0.00 0.00 0.00 175.76 173.26 1nzr s HIS 83 N -3.15 -0.33 0.49 0.00 -3.43 -1.26 -1.66 115.29 105.95 1nzr s HIS 83 Ca -0.01 0.04 0.07 0.00 -0.80 0.00 0.00 55.06 54.35 1nzr s HIS 83 Cb 0.00 0.47 0.07 0.00 -1.43 0.00 0.00 32.58 31.69 1nzr s HIS 83 CO -0.07 -0.88 0.56 0.25 -2.00 0.00 0.00 174.74 172.60 1nzr n THR 84 N -0.35 0.00 -1.71 -5.38 -2.24 -0.81 -4.82 114.28 98.97 1nzr n THR 84 Ca -0.14 -1.75 -0.29 0.00 -2.27 0.00 0.00 64.05 59.60 1nzr n THR 84 Cb 0.63 -0.40 0.14 0.00 -2.10 0.00 0.00 70.33 68.61 1nzr n THR 84 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1nzr s LYS 85 N -4.15 1.15 -0.40 -0.78 -0.14 -1.26 -4.72 119.74 109.44 1nzr s LYS 85 Ca 0.43 0.06 -0.23 0.00 -1.36 0.00 0.00 55.97 54.86 1nzr s LYS 85 Cb -0.03 -1.86 0.02 0.00 -1.68 0.00 0.00 37.83 34.27 1nzr s LYS 85 CO 0.27 -2.15 0.81 -1.17 -0.76 0.00 0.00 175.35 172.35 1nzr s LEU 86 N -5.92 4.14 -0.02 3.17 2.96 -1.26 -4.33 118.68 117.43 1nzr s LEU 86 Ca 0.66 0.21 0.00 0.00 -0.22 0.00 0.00 54.13 54.78 1nzr s LEU 86 Cb -0.11 -3.04 -0.04 0.00 0.50 0.00 0.00 46.19 43.51 1nzr s LEU 86 CO 0.52 -0.82 0.03 0.27 -1.32 0.00 0.00 176.35 175.03 1nzr s ILE 87 N 3.24 4.39 0.00 6.68 -4.36 0.85 -4.80 121.20 127.20 1nzr s ILE 87 Ca 0.32 -0.47 0.00 0.00 -0.26 0.00 0.00 60.65 60.23 1nzr s ILE 87 Cb -0.12 -2.96 0.00 0.00 1.25 0.00 0.00 42.46 40.63 1nzr s ILE 87 CO 0.20 0.40 0.00 0.61 0.24 0.00 0.00 174.94 176.39 1nzr n GLY 88 N 1.44 0.60 3.76 6.27 0.00 -1.26 -0.41 105.19 115.59 1nzr n GLY 88 Ca -0.15 -1.93 -0.38 0.00 0.00 0.00 0.00 46.02 43.56 1nzr n GLY 88 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1nzr s SER 89 N -1.00 5.65 0.00 1.61 1.04 -0.94 -2.66 113.70 117.40 1nzr s SER 89 Ca 0.00 2.64 0.00 0.00 0.48 0.00 0.00 55.95 59.07 1nzr s SER 89 Cb 0.00 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.49 1nzr s SER 89 CO 0.00 -1.30 0.00 0.61 0.98 0.00 0.00 173.24 173.53 1nzr n GLY 90 N 0.63 2.93 3.94 7.32 0.00 -0.40 -4.98 105.19 114.62 1nzr n GLY 90 Ca 0.09 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 1nzr n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nzr s GLU 91 N -0.05 1.18 -0.09 1.61 2.02 -1.09 -4.88 118.70 117.40 1nzr s GLU 91 Ca 0.00 -0.43 -0.30 0.00 0.02 0.00 0.00 54.97 54.27 1nzr s GLU 91 Cb 0.00 -1.98 0.07 0.00 0.10 0.00 0.00 34.13 32.32 1nzr s GLU 91 CO 0.00 -2.01 0.68 0.21 0.02 0.00 0.00 175.26 174.16 1nzr s LYS 92 N -5.65 1.02 -0.05 1.61 2.47 -1.26 -2.83 119.74 115.04 1nzr s LYS 92 Ca 0.69 0.37 -0.31 0.00 -1.56 0.00 0.00 55.97 55.17 1nzr s LYS 92 Cb -0.06 0.48 0.07 0.00 -1.46 0.00 0.00 37.83 36.86 1nzr s LYS 92 CO 0.50 -0.29 0.69 0.34 0.16 0.00 0.00 175.35 176.75 1nzr s ASP 93 N -0.93 -0.65 0.19 1.43 2.15 -0.36 -5.02 116.67 113.48 1nzr s ASP 93 Ca -0.09 0.71 0.06 0.00 0.43 0.00 0.00 52.55 53.65 1nzr s ASP 93 Cb -0.01 0.53 -0.05 0.00 -0.30 0.00 0.00 42.92 43.10 1nzr s ASP 93 CO 0.08 -0.60 -0.09 -0.44 -0.17 0.00 0.00 175.17 173.95 1nzr s SER 94 N -1.19 2.13 -0.07 -0.34 0.01 -1.26 -0.03 113.70 112.96 1nzr s SER 94 Ca -0.11 -1.07 -0.03 0.00 1.31 0.00 0.00 55.95 56.05 1nzr s SER 94 Cb -0.00 -0.06 0.04 0.00 0.21 0.00 0.00 66.02 66.21 1nzr s SER 94 CO 0.10 -0.31 0.15 0.54 0.41 0.00 0.00 173.24 174.12 1nzr s VAL 95 N -3.20 -0.04 -0.16 3.43 0.11 -0.39 -4.89 120.40 115.26 1nzr s VAL 95 Ca 0.22 0.16 -0.01 0.00 -2.93 0.00 0.00 61.98 59.42 1nzr s VAL 95 Cb 0.02 -0.24 -0.01 0.00 -1.53 0.00 0.00 36.38 34.62 1nzr s VAL 95 CO 0.05 0.07 -0.12 -0.89 -3.33 0.00 0.00 175.10 170.88 1nzr s THR 96 N 1.08 2.99 0.12 5.04 2.01 -1.26 -1.52 115.64 124.11 1nzr s THR 96 Ca -0.08 -0.66 0.04 0.00 0.31 0.00 0.00 61.69 61.30 1nzr s THR 96 Cb -0.11 -2.28 -0.04 0.00 0.01 0.00 0.00 72.50 70.08 1nzr s THR 96 CO -0.06 0.50 -0.11 0.72 -0.69 0.00 0.00 174.62 174.99 1nzr s PHE 97 N 0.76 1.20 0.31 4.92 -0.71 -0.96 -4.98 117.98 118.51 1nzr s PHE 97 Ca -0.05 -0.67 -0.28 0.00 -1.04 0.00 0.00 56.93 54.90 1nzr s PHE 97 Cb -0.15 -0.63 -0.09 0.00 -1.21 0.00 0.00 43.02 40.93 1nzr s PHE 97 CO 0.01 0.06 1.02 -0.51 -1.34 0.00 0.00 175.22 174.46 1nzr s ASP 98 N -2.68 7.25 0.49 1.98 1.01 -1.26 -1.51 116.67 121.95 1nzr s ASP 98 Ca 0.10 2.05 0.28 0.00 0.71 0.00 0.00 52.55 55.69 1nzr s ASP 98 Cb -0.02 -2.60 1.14 0.00 1.01 0.00 0.00 42.92 42.46 1nzr s ASP 98 CO 0.01 -0.14 1.91 0.58 0.21 0.00 0.00 175.17 177.74 1nzr h VAL 99 N 2.80 0.33 0.00 -1.27 2.07 -1.43 -2.86 116.25 115.90 1nzr h VAL 99 Ca -0.47 -0.83 0.00 0.00 0.82 0.00 0.00 66.70 66.23 1nzr h VAL 99 Cb 1.21 1.63 0.00 0.00 -1.52 0.00 0.00 31.29 32.60 1nzr h VAL 99 CO 0.66 0.12 0.00 0.77 0.02 0.00 0.00 177.57 179.14 1nzr h SER 100 N 0.00 0.00 0.35 0.57 4.64 -1.90 -1.23 113.55 115.98 1nzr h SER 100 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1nzr h SER 100 Cb 0.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 1nzr h SER 100 CO 0.02 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.27 1nzr n LYS 101 N -2.72 0.41 -4.60 4.77 5.02 -1.08 -4.70 118.16 115.26 1nzr n LYS 101 Ca -0.02 0.06 -0.32 0.00 -2.02 0.00 0.00 58.31 56.01 1nzr n LYS 101 Cb 0.08 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.48 1nzr n LYS 101 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1nzr s LEU 102 N -2.46 2.97 0.22 -0.35 1.43 -0.46 -5.11 118.68 114.91 1nzr s LEU 102 Ca 0.24 -0.20 0.07 0.00 -1.03 0.00 0.00 54.13 53.21 1nzr s LEU 102 Cb 0.16 -1.69 -0.05 0.00 0.03 0.00 0.00 46.19 44.63 1nzr s LEU 102 CO 0.33 0.30 -0.12 -1.59 0.23 0.00 0.00 176.35 175.50 1nzr s LYS 103 N -1.24 1.36 -0.01 1.70 -2.85 -1.26 -5.03 119.74 112.41 1nzr s LYS 103 Ca 0.15 -1.63 -0.30 0.00 -1.00 0.00 0.00 55.97 53.20 1nzr s LYS 103 Cb -0.11 -1.06 -0.07 0.00 -2.06 0.00 0.00 37.83 34.53 1nzr s LYS 103 CO 0.05 0.13 1.72 -2.00 0.10 0.00 0.00 175.35 175.35 1nzr s GLU 104 N -3.68 4.18 0.00 1.78 2.56 -1.26 -3.04 118.70 119.23 1nzr s GLU 104 Ca 0.24 2.31 0.00 0.00 0.00 0.00 0.00 54.97 57.52 1nzr s GLU 104 Cb 0.01 -3.94 0.00 0.00 2.00 0.00 0.00 34.13 32.20 1nzr s GLU 104 CO 0.08 -0.84 0.00 0.41 -0.56 0.00 0.00 175.26 174.34 1nzr n GLY 105 N 4.18 0.57 3.71 -1.50 0.00 -1.26 -5.05 105.19 105.85 1nzr n GLY 105 Ca 0.17 -0.82 -0.30 0.00 0.00 0.00 0.00 46.02 45.08 1nzr n GLY 105 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1nzr s GLU 106 N -2.41 2.63 -0.25 1.61 2.12 -1.17 -5.11 118.70 116.12 1nzr s GLU 106 Ca 0.00 -0.81 -0.11 0.00 0.36 0.00 0.00 54.97 54.41 1nzr s GLU 106 Cb 0.00 -2.58 -0.05 0.00 0.26 0.00 0.00 34.13 31.76 1nzr s GLU 106 CO 0.00 0.54 0.17 -0.65 -0.54 0.00 0.00 175.26 174.78 1nzr s GLN 107 N -2.37 4.03 0.15 4.30 1.11 -1.26 -4.84 119.66 120.79 1nzr s GLN 107 Ca 0.27 -0.29 0.07 0.00 0.01 0.00 0.00 55.36 55.42 1nzr s GLN 107 Cb -0.12 -3.58 -0.04 0.00 -1.01 0.00 0.00 33.01 28.26 1nzr s GLN 107 CO 0.19 -0.02 -0.01 0.71 0.01 0.00 0.00 175.29 176.17 1nzr s TYR 108 N 1.30 2.86 -0.02 0.91 2.02 -1.21 0.09 117.35 123.30 1nzr s TYR 108 Ca 0.07 -0.12 0.06 0.00 -0.37 0.00 0.00 57.07 56.72 1nzr s TYR 108 Cb -0.14 -1.41 -0.01 0.00 -0.40 0.00 0.00 41.96 39.99 1nzr s TYR 108 CO 0.07 0.50 -0.21 -1.64 -1.57 0.00 0.00 175.55 172.70 1nzr s MET 109 N -2.78 1.84 0.09 -0.62 -1.94 -0.37 -1.19 119.30 114.34 1nzr s MET 109 Ca 0.27 -0.77 0.03 0.00 -1.71 0.00 0.00 55.69 53.51 1nzr s MET 109 Cb -0.10 -1.73 -0.04 0.00 2.01 0.00 0.00 34.83 34.97 1nzr s MET 109 CO 0.18 0.43 0.10 -0.59 -0.01 0.00 0.00 175.02 175.13 1nzr s PHE 110 N -0.40 3.20 0.21 -0.03 -0.71 -0.44 -2.24 117.98 117.57 1nzr s PHE 110 Ca 0.06 0.07 -0.22 0.00 -1.04 0.00 0.00 56.93 55.79 1nzr s PHE 110 Cb -0.09 -1.61 0.06 0.00 -1.21 0.00 0.00 43.02 40.17 1nzr s PHE 110 CO 0.00 0.52 0.92 -0.59 -1.34 0.00 0.00 175.22 174.74 1nzr s PHE 111 N -1.46 -0.05 -0.12 3.49 -0.71 -0.40 -1.71 117.98 117.03 1nzr s PHE 111 Ca 0.30 -0.36 -0.01 0.00 -1.04 0.00 0.00 56.93 55.82 1nzr s PHE 111 Cb -0.12 0.70 -0.02 0.00 -1.21 0.00 0.00 43.02 42.36 1nzr s PHE 111 CO 0.23 -1.02 -0.09 0.00 -1.34 0.00 0.00 175.22 172.99 1nzr n THR 113 N 3.17 0.03 -1.69 0.00 -2.24 -1.26 -3.33 114.28 108.96 1nzr n THR 113 Ca -0.18 -0.27 -0.43 0.00 -2.27 0.00 0.00 64.05 60.90 1nzr n THR 113 Cb 0.53 0.52 -0.01 0.00 -2.10 0.00 0.00 70.33 69.26 1nzr n THR 113 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1nzr n PHE 114 N 0.23 2.24 -1.06 4.78 -0.00 -1.26 -4.56 117.46 117.83 1nzr n PHE 114 Ca 0.19 0.51 -0.50 0.00 -0.00 0.00 0.00 57.45 57.65 1nzr n PHE 114 Cb 0.36 -2.43 -0.10 0.00 -0.00 0.00 0.00 39.48 37.31 1nzr n PHE 114 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.76 174.46 1nzr n PRO 115 N 1.07 0.00 -0.17 -7.13 -0.02 -1.26 -1.99 135.00 125.50 1nzr n PRO 115 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 1nzr n PRO 115 Cb 0.35 -1.22 0.00 0.00 -0.02 0.00 0.00 33.50 32.60 1nzr n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nzr n GLY 116 N 5.86 2.23 0.07 -1.23 0.00 -1.26 -4.91 105.19 105.94 1nzr n GLY 116 Ca 0.43 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.37 1nzr n GLY 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1nzr h HIS 117 N 0.00 0.06 0.00 1.61 3.86 -1.69 -3.36 115.15 115.63 1nzr h HIS 117 Ca 0.00 -0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.17 1nzr h HIS 117 Cb 0.00 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 1nzr h HIS 117 CO 0.00 1.03 0.00 0.66 0.86 0.00 0.00 177.93 180.48 1nzr h SER 118 N 0.01 0.00 0.09 2.45 4.64 -1.74 0.57 113.55 119.57 1nzr h SER 118 Ca -0.04 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1nzr h SER 118 Cb 1.81 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.90 1nzr h SER 118 CO 0.13 0.00 -0.02 0.00 -0.87 0.00 0.00 176.83 176.07 1nzr h ALA 119 N 2.01 1.34 0.00 5.18 0.00 -1.91 -3.19 119.26 122.69 1nzr h ALA 119 Ca 0.00 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 1nzr h ALA 119 Cb 0.37 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1nzr h ALA 119 CO 0.00 0.03 -1.53 1.28 0.00 0.00 0.00 179.25 179.02 1nzr n LEU 120 N -3.60 2.31 -4.30 0.00 7.99 -0.43 -4.89 117.00 114.08 1nzr n LEU 120 Ca -0.03 -0.04 -0.45 0.00 -0.01 0.00 0.00 56.01 55.48 1nzr n LEU 120 Cb 0.11 -0.21 -0.02 0.00 -0.11 0.00 0.00 43.42 43.18 1nzr n LEU 120 CO 0.26 0.55 0.48 -0.04 -1.51 0.00 0.00 177.39 177.14 1nzr s MET 121 N -2.19 3.66 0.02 3.23 -1.94 0.19 -4.79 119.30 117.48 1nzr s MET 121 Ca -0.11 -2.70 -0.26 0.00 -1.71 0.00 0.00 55.69 50.92 1nzr s MET 121 Cb 0.03 -4.39 0.06 0.00 2.01 0.00 0.00 34.83 32.54 1nzr s MET 121 CO 0.24 -1.27 0.59 -1.59 -0.01 0.00 0.00 175.02 172.98 1nzr s LYS 122 N -0.28 1.05 0.27 2.03 -2.85 -1.26 -2.90 119.74 115.80 1nzr s LYS 122 Ca 0.21 -0.04 -0.21 0.00 -1.00 0.00 0.00 55.97 54.93 1nzr s LYS 122 Cb -0.11 0.49 0.04 0.00 -2.06 0.00 0.00 37.83 36.19 1nzr s LYS 122 CO -0.08 -0.37 0.79 0.20 0.10 0.00 0.00 175.35 175.99 1nzr s GLY 123 N -1.69 -0.04 0.07 0.59 0.00 -0.69 -4.82 107.32 100.73 1nzr s GLY 123 Ca -0.08 -0.29 -0.09 0.00 0.00 0.00 0.00 44.72 44.27 1nzr s GLY 123 CO 0.02 -0.02 0.37 -0.51 0.00 0.00 0.00 173.10 172.96 1nzr s THR 124 N -3.50 5.15 0.06 0.90 -4.23 -1.03 -1.33 115.64 111.65 1nzr s THR 124 Ca 0.12 0.35 0.09 0.00 -1.18 0.00 0.00 61.69 61.08 1nzr s THR 124 Cb -0.05 -3.63 -0.03 0.00 1.34 0.00 0.00 72.50 70.13 1nzr s THR 124 CO 0.07 0.28 -0.25 -0.22 -0.54 0.00 0.00 174.62 173.96 1nzr s LEU 125 N -1.94 2.26 -0.10 4.79 0.20 -0.34 -0.56 118.68 123.00 1nzr s LEU 125 Ca 0.32 -0.58 -0.07 0.00 0.69 0.00 0.00 54.13 54.49 1nzr s LEU 125 Cb -0.14 -1.32 0.04 0.00 -0.43 0.00 0.00 46.19 44.35 1nzr s LEU 125 CO 0.18 0.25 0.25 -0.89 -0.29 0.00 0.00 176.35 175.85 1nzr s THR 126 N -0.86 -0.03 -0.51 3.68 2.01 0.57 -3.34 115.64 117.17 1nzr s THR 126 Ca 0.13 0.10 -0.24 0.00 0.31 0.00 0.00 61.69 61.98 1nzr s THR 126 Cb -0.10 -0.38 0.04 0.00 0.01 0.00 0.00 72.50 72.06 1nzr s THR 126 CO 0.03 0.04 0.88 -0.22 -0.69 0.00 0.00 174.62 174.66 1nzr s LEU 127 N 0.90 4.17 0.00 4.42 1.98 -1.26 -0.48 118.68 128.41 1nzr s LEU 127 Ca -0.06 -0.24 0.14 0.00 -2.89 0.00 0.00 54.13 51.08 1nzr s LEU 127 Cb -0.07 -2.91 0.11 0.00 0.66 0.00 0.00 46.19 43.97 1nzr s LEU 127 CO -0.06 -1.10 0.94 2.29 -1.89 0.00 0.00 176.35 176.53