#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nzk n PHE 1 N 0.00 1.46 -2.76 -1.40 7.35 -1.26 -5.02 117.46 115.84 1nzk n PHE 1 Ca 0.00 -1.84 -0.42 0.00 -0.76 0.00 0.00 57.45 54.43 1nzk n PHE 1 Cb 0.00 -0.27 -0.03 0.00 0.35 0.00 0.00 39.48 39.53 1nzk n PHE 1 CO 0.00 0.00 0.00 -0.80 -0.76 0.00 0.00 176.76 175.20 1nzk s ASN 2 N -3.38 6.94 0.14 -2.13 0.01 -1.26 -5.03 114.94 110.23 1nzk s ASN 2 Ca 0.40 1.13 0.07 0.00 -0.71 0.00 0.00 52.86 53.75 1nzk s ASN 2 Cb 0.38 -2.49 -0.04 0.00 0.41 0.00 0.00 41.25 39.50 1nzk s ASN 2 CO -0.03 -0.66 -0.02 -0.76 -1.51 0.00 0.00 177.10 174.12 1nzk s LEU 3 N 3.15 3.30 0.51 0.60 1.43 -1.26 -1.42 118.68 124.99 1nzk s LEU 3 Ca 0.40 -0.33 -0.17 0.00 -1.03 0.00 0.00 54.13 53.00 1nzk s LEU 3 Cb -0.14 -2.00 -0.08 0.00 0.03 0.00 0.00 46.19 43.99 1nzk s LEU 3 CO 0.09 0.13 0.99 -2.16 0.23 0.00 0.00 176.35 175.63 1nzk s PRO 4 N -2.62 3.89 0.56 1.29 0.04 -1.26 -4.71 135.00 132.18 1nzk s PRO 4 Ca 0.26 1.03 -0.20 0.00 0.04 0.00 0.00 61.00 62.13 1nzk s PRO 4 Cb -0.10 -2.12 -0.06 0.00 0.04 0.00 0.00 34.50 32.26 1nzk s PRO 4 CO 0.18 -0.33 1.10 -0.35 0.04 0.00 0.00 177.00 177.64 1nzk n PRO 5 N -1.50 1.21 -1.44 0.56 -0.04 -1.26 -4.85 135.00 127.69 1nzk n PRO 5 Ca 0.07 0.45 -0.44 0.00 -0.04 0.00 0.00 63.50 63.54 1nzk n PRO 5 Cb 0.54 -2.28 -0.01 0.00 -0.04 0.00 0.00 33.50 31.70 1nzk n PRO 5 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1nzk n GLY 6 N 1.10 -1.50 2.69 0.55 0.00 -1.26 -4.98 105.19 101.78 1nzk n GLY 6 Ca 0.12 0.19 -0.09 0.00 0.00 0.00 0.00 46.02 46.24 1nzk n GLY 6 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1nzk n ASN 7 N 1.65 -1.81 0.00 1.61 5.03 -1.26 -4.96 115.26 115.51 1nzk n ASN 7 Ca 0.13 -3.09 0.00 0.00 0.87 0.00 0.00 54.58 52.49 1nzk n ASN 7 Cb 0.33 1.29 0.00 0.00 -1.02 0.00 0.00 39.78 40.39 1nzk n ASN 7 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 1nzk n TYR 8 N -0.08 0.00 -0.05 3.10 4.01 -1.26 -4.70 117.16 118.18 1nzk n TYR 8 Ca 0.03 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.65 1nzk n TYR 8 Cb 0.77 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.74 1nzk n TYR 8 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 1nzk h LYS 9 N 0.00 0.30 -6.33 -0.72 6.56 -1.93 -3.45 116.57 111.01 1nzk h LYS 9 Ca 0.00 -0.11 -0.60 0.00 -1.06 0.00 0.00 60.65 58.88 1nzk h LYS 9 Cb 0.08 -0.02 -0.13 0.00 -0.57 0.00 0.00 32.23 31.59 1nzk h LYS 9 CO 0.00 0.55 -0.72 0.15 -2.06 0.00 0.00 179.45 177.37 1nzk s LYS 10 N -4.86 1.97 0.78 3.15 1.02 -1.26 -5.10 119.74 115.44 1nzk s LYS 10 Ca -0.14 -1.48 -0.12 0.00 0.02 0.00 0.00 55.97 54.25 1nzk s LYS 10 Cb 0.06 -2.02 0.07 0.00 -0.52 0.00 0.00 37.83 35.41 1nzk s LYS 10 CO 0.73 0.38 1.12 -1.25 -0.92 0.00 0.00 175.35 175.41 1nzk s PRO 11 N -3.26 2.03 0.14 -1.68 0.04 -1.26 -4.77 135.00 126.24 1nzk s PRO 11 Ca 0.28 1.38 -0.01 0.00 0.04 0.00 0.00 61.00 62.70 1nzk s PRO 11 Cb -0.07 -1.86 -0.04 0.00 0.04 0.00 0.00 34.50 32.57 1nzk s PRO 11 CO 0.16 -1.84 0.05 0.15 0.04 0.00 0.00 177.00 175.55 1nzk s LYS 12 N -4.56 0.95 -0.15 4.56 -0.14 0.55 -3.96 119.74 117.00 1nzk s LYS 12 Ca 0.65 -1.45 -0.07 0.00 -1.36 0.00 0.00 55.97 53.74 1nzk s LYS 12 Cb -0.21 0.16 -0.04 0.00 -1.68 0.00 0.00 37.83 36.06 1nzk s LYS 12 CO 0.52 -0.24 0.10 -0.51 -0.76 0.00 0.00 175.35 174.47 1nzk s LEU 13 N -3.07 4.08 -0.58 3.17 1.43 0.13 -0.95 118.68 122.90 1nzk s LEU 13 Ca 0.24 0.26 -0.15 0.00 -1.03 0.00 0.00 54.13 53.44 1nzk s LEU 13 Cb 0.07 -2.01 0.14 0.00 0.03 0.00 0.00 46.19 44.42 1nzk s LEU 13 CO 0.02 0.28 0.54 -0.76 0.23 0.00 0.00 176.35 176.66 1nzk s LEU 14 N -0.27 6.26 -0.21 1.79 1.43 -1.26 -0.33 118.68 126.10 1nzk s LEU 14 Ca 0.10 -1.94 -0.20 0.00 -1.03 0.00 0.00 54.13 51.06 1nzk s LEU 14 Cb -0.12 -2.20 -0.03 0.00 0.03 0.00 0.00 46.19 43.87 1nzk s LEU 14 CO 0.01 -0.81 0.60 -0.47 0.23 0.00 0.00 176.35 175.91 1nzk s TYR 15 N 1.37 3.36 -0.35 0.29 5.04 -0.53 -1.64 117.35 124.89 1nzk s TYR 15 Ca 0.05 0.86 -0.21 0.00 -2.44 0.00 0.00 57.07 55.34 1nzk s TYR 15 Cb -0.27 -2.77 0.00 0.00 0.35 0.00 0.00 41.96 39.27 1nzk s TYR 15 CO 0.01 -0.18 0.64 0.00 -1.34 0.00 0.00 175.55 174.68 1nzk h SER 17 N 8.42 0.00 0.05 0.00 0.87 -1.57 0.63 113.55 121.95 1nzk h SER 17 Ca -0.26 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.30 1nzk h SER 17 Cb 1.11 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.06 1nzk h SER 17 CO 0.83 0.00 -0.17 -1.13 -0.53 0.00 0.00 176.83 175.83 1nzk h ASN 18 N 0.00 -0.52 -0.20 6.23 -1.24 -1.77 -3.31 115.58 114.77 1nzk h ASN 18 Ca 0.03 0.05 0.00 0.00 0.71 0.00 0.00 56.30 57.10 1nzk h ASN 18 Cb 0.14 0.19 0.00 0.00 0.73 0.00 0.00 38.32 39.38 1nzk h ASN 18 CO -0.00 -0.19 0.00 0.61 -1.29 0.00 0.00 177.43 176.56 1nzk n GLY 19 N -1.16 2.18 2.68 1.57 0.00 -1.23 -4.85 105.19 104.38 1nzk n GLY 19 Ca -0.03 -0.25 -0.13 0.00 0.00 0.00 0.00 46.02 45.61 1nzk n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nzk n GLY 20 N 0.24 -0.07 3.62 -0.02 0.00 0.19 -5.00 105.19 104.14 1nzk n GLY 20 Ca 0.07 -0.09 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 1nzk n GLY 20 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1nzk s HIS 21 N -3.23 2.86 -0.18 1.61 3.76 -1.04 -4.56 115.29 114.51 1nzk s HIS 21 Ca 0.11 -0.08 -0.13 0.00 -0.15 0.00 0.00 55.06 54.81 1nzk s HIS 21 Cb -0.05 -1.51 -0.05 0.00 1.11 0.00 0.00 32.58 32.08 1nzk s HIS 21 CO 0.48 0.43 0.26 -0.06 -0.85 0.00 0.00 174.74 175.00 1nzk s PHE 22 N -1.19 3.42 0.31 1.40 0.08 0.24 -0.10 117.98 122.15 1nzk s PHE 22 Ca 0.22 0.51 -0.29 0.00 0.12 0.00 0.00 56.93 57.48 1nzk s PHE 22 Cb -0.11 -2.32 -0.12 0.00 -0.57 0.00 0.00 43.02 39.89 1nzk s PHE 22 CO 0.13 0.20 1.40 -0.11 -0.10 0.00 0.00 175.22 176.74 1nzk n LEU 23 N 3.76 3.68 -3.80 -0.37 7.94 -0.65 -1.09 117.00 126.47 1nzk n LEU 23 Ca -0.12 1.18 -0.13 0.00 -1.11 0.00 0.00 56.01 55.83 1nzk n LEU 23 Cb 0.52 -1.50 -0.14 0.00 0.53 0.00 0.00 43.42 42.83 1nzk n LEU 23 CO 0.39 -0.31 -0.25 -0.60 -1.11 0.00 0.00 177.39 175.51 1nzk s ARG 24 N -1.24 0.10 -0.27 1.96 3.52 0.44 -4.44 118.95 119.03 1nzk s ARG 24 Ca 0.60 0.23 0.01 0.00 -0.13 0.00 0.00 55.73 56.44 1nzk s ARG 24 Cb -0.57 -0.05 0.05 0.00 -1.56 0.00 0.00 34.95 32.82 1nzk s ARG 24 CO 0.56 -0.08 -0.08 0.42 -0.81 0.00 0.00 175.30 175.32 1nzk s ILE 25 N 0.54 2.51 0.67 4.11 1.01 -1.14 -1.48 121.20 127.42 1nzk s ILE 25 Ca -0.04 -1.43 -0.11 0.00 0.00 0.00 0.00 60.65 59.07 1nzk s ILE 25 Cb -0.06 -2.41 -0.01 0.00 0.01 0.00 0.00 42.46 39.99 1nzk s ILE 25 CO -0.02 0.01 1.05 -0.76 0.00 0.00 0.00 174.94 175.22 1nzk s LEU 26 N 1.19 3.16 0.42 2.97 1.43 0.31 -4.85 118.68 123.31 1nzk s LEU 26 Ca -0.06 1.55 0.18 0.00 -1.03 0.00 0.00 54.13 54.78 1nzk s LEU 26 Cb -0.19 -4.48 1.09 0.00 0.03 0.00 0.00 46.19 42.64 1nzk s LEU 26 CO -0.04 -1.27 1.85 -0.65 0.23 0.00 0.00 176.35 176.47 1nzk h PRO 27 N -0.60 0.38 0.00 1.29 0.11 -1.99 0.44 132.00 131.63 1nzk h PRO 27 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1nzk h PRO 27 Cb 1.20 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1nzk h PRO 27 CO 0.58 0.25 0.00 -0.40 -0.21 0.00 0.00 178.00 178.23 1nzk n ASP 28 N -4.51 0.00 0.00 -2.05 5.68 -1.26 -4.80 116.55 109.61 1nzk n ASP 28 Ca 0.19 -1.75 0.00 0.00 -0.50 0.00 0.00 54.79 52.73 1nzk n ASP 28 Cb 0.71 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.69 1nzk n ASP 28 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1nzk n GLY 29 N 0.40 0.55 3.77 6.12 0.00 0.15 -4.97 105.19 111.22 1nzk n GLY 29 Ca 0.01 -0.01 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1nzk n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nzk s THR 30 N -2.00 4.18 -0.00 2.61 2.01 -1.21 -1.93 115.64 119.30 1nzk s THR 30 Ca 0.00 1.88 0.07 0.00 0.31 0.00 0.00 61.69 63.95 1nzk s THR 30 Cb 0.00 -4.09 -0.02 0.00 0.01 0.00 0.00 72.50 68.40 1nzk s THR 30 CO 0.00 0.24 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.26 1nzk s VAL 31 N -1.50 1.77 0.00 3.82 1.01 -1.26 0.12 120.40 124.36 1nzk s VAL 31 Ca 0.48 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 61.42 1nzk s VAL 31 Cb -0.20 -1.49 0.00 0.00 0.00 0.00 0.00 36.38 34.69 1nzk s VAL 31 CO 0.26 0.43 0.00 -0.90 0.00 0.00 0.00 175.10 174.89 1nzk n ASP 32 N 2.34 0.00 -4.23 3.32 5.75 -0.55 -4.50 116.55 118.68 1nzk n ASP 32 Ca -0.16 -0.38 -0.24 0.00 -0.01 0.00 0.00 54.79 54.00 1nzk n ASP 32 Cb 0.52 0.00 -0.14 0.00 -1.03 0.00 0.00 41.12 40.48 1nzk n ASP 32 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1nzk s GLY 33 N -0.98 1.05 0.03 6.12 0.00 0.64 -0.42 107.32 113.76 1nzk s GLY 33 Ca 0.00 -1.02 0.03 0.00 0.00 0.00 0.00 44.72 43.72 1nzk s GLY 33 CO 0.00 -0.97 -0.08 -1.08 0.00 0.00 0.00 173.10 170.96 1nzk s THR 34 N -0.87 0.61 -2.11 0.90 -1.32 -0.25 -4.75 115.64 107.86 1nzk s THR 34 Ca 0.06 -0.91 0.26 0.00 -1.21 0.00 0.00 61.69 59.88 1nzk s THR 34 Cb -0.09 -0.63 0.28 0.00 -1.51 0.00 0.00 72.50 70.55 1nzk s THR 34 CO 0.02 -0.23 1.49 0.54 -2.21 0.00 0.00 174.62 174.23 1nzk n ARG 35 N 1.80 1.26 -2.82 7.08 1.74 -1.26 0.80 116.66 125.25 1nzk n ARG 35 Ca -0.20 -0.85 -0.43 0.00 -0.77 0.00 0.00 57.85 55.60 1nzk n ARG 35 Cb 0.55 -1.48 -0.04 0.00 -1.02 0.00 0.00 32.46 30.47 1nzk n ARG 35 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1nzk s ASP 36 N -2.33 6.50 0.00 0.55 2.15 -1.26 -4.87 116.67 117.42 1nzk s ASP 36 Ca 0.27 0.13 0.20 0.00 0.43 0.00 0.00 52.55 53.58 1nzk s ASP 36 Cb 0.20 -2.45 1.00 0.00 -0.30 0.00 0.00 42.92 41.36 1nzk s ASP 36 CO 0.46 -1.04 1.63 -1.14 -0.17 0.00 0.00 175.17 174.91 1nzk n ARG 37 N 7.14 0.26 -0.17 4.34 0.63 -1.26 -2.00 116.66 125.59 1nzk n ARG 37 Ca 0.06 0.10 0.11 0.00 -0.92 0.00 0.00 57.85 57.20 1nzk n ARG 37 Cb 0.48 -1.50 0.27 0.00 0.45 0.00 0.00 32.46 32.16 1nzk n ARG 37 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 1nzk n SER 38 N -1.31 2.85 -4.77 6.15 3.41 -1.26 -4.94 113.62 113.75 1nzk n SER 38 Ca 0.09 -1.91 -0.40 0.00 -0.26 0.00 0.00 58.87 56.38 1nzk n SER 38 Cb 0.17 -0.23 -0.01 0.00 -0.26 0.00 0.00 64.21 63.87 1nzk n SER 38 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1nzk s ASP 39 N -1.42 6.55 0.00 4.04 -1.08 -0.85 -4.92 116.67 118.99 1nzk s ASP 39 Ca 0.37 2.72 0.29 0.00 -0.52 0.00 0.00 52.55 55.41 1nzk s ASP 39 Cb 0.21 -2.65 1.23 0.00 -1.46 0.00 0.00 42.92 40.25 1nzk s ASP 39 CO 0.29 -0.70 1.85 0.00 0.52 0.00 0.00 175.17 177.13 1nzk n GLN 40 N 0.50 1.52 -0.48 4.34 1.13 -1.26 -4.07 117.38 119.06 1nzk n GLN 40 Ca 0.01 -0.75 0.07 0.00 -1.94 0.00 0.00 57.00 54.39 1nzk n GLN 40 Cb 0.42 -1.48 0.16 0.00 0.11 0.00 0.00 30.24 29.45 1nzk n GLN 40 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 1nzk n HIS 41 N -0.08 0.00 -0.09 1.08 8.25 -1.26 -4.65 115.22 118.46 1nzk n HIS 41 Ca 0.20 -1.20 0.05 0.00 -0.26 0.00 0.00 57.72 56.51 1nzk n HIS 41 Cb 0.30 -0.20 0.12 0.00 1.12 0.00 0.00 29.99 31.33 1nzk n HIS 41 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 1nzk n ILE 42 N -1.07 0.89 -3.63 1.59 -5.35 -1.26 -2.88 119.36 107.66 1nzk n ILE 42 Ca 0.16 -0.95 -0.37 0.00 -0.27 0.00 0.00 62.75 61.32 1nzk n ILE 42 Cb 0.71 0.58 -0.10 0.00 -1.74 0.00 0.00 39.64 39.08 1nzk n ILE 42 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1nzk s GLN 43 N -0.98 4.02 0.13 6.28 1.11 -1.26 -4.29 119.66 124.66 1nzk s GLN 43 Ca 0.19 -0.29 0.10 0.00 0.01 0.00 0.00 55.36 55.37 1nzk s GLN 43 Cb 0.10 -3.59 -0.04 0.00 -1.01 0.00 0.00 33.01 28.47 1nzk s GLN 43 CO 0.14 -0.04 -0.25 -0.06 0.01 0.00 0.00 175.29 175.08 1nzk s PHE 44 N 1.37 2.13 -0.27 0.91 0.40 -0.12 -1.28 117.98 121.11 1nzk s PHE 44 Ca 0.07 -0.39 -0.04 0.00 -0.60 0.00 0.00 56.93 55.97 1nzk s PHE 44 Cb -0.15 -1.15 0.02 0.00 0.51 0.00 0.00 43.02 42.26 1nzk s PHE 44 CO 0.07 0.30 0.01 -1.14 0.70 0.00 0.00 175.22 175.16 1nzk s GLN 45 N -2.06 2.89 0.16 0.44 2.00 0.24 -0.33 119.66 123.00 1nzk s GLN 45 Ca 0.12 -0.96 -0.02 0.00 -2.00 0.00 0.00 55.36 52.50 1nzk s GLN 45 Cb -0.10 -3.17 -0.05 0.00 0.80 0.00 0.00 33.01 30.49 1nzk s GLN 45 CO 0.06 -0.45 0.36 -0.51 -0.50 0.00 0.00 175.29 174.25 1nzk s LEU 46 N 1.39 4.26 -0.04 3.68 1.02 -1.26 -1.16 118.68 126.57 1nzk s LEU 46 Ca 0.01 0.45 -0.15 0.00 0.02 0.00 0.00 54.13 54.46 1nzk s LEU 46 Cb -0.17 -3.19 0.03 0.00 0.02 0.00 0.00 46.19 42.87 1nzk s LEU 46 CO -0.01 0.02 0.33 -0.94 0.02 0.00 0.00 176.35 175.77 1nzk s SER 47 N -2.79 -0.24 -0.11 2.29 1.04 -0.95 -4.63 113.70 108.32 1nzk s SER 47 Ca 0.39 0.22 -0.17 0.00 0.48 0.00 0.00 55.95 56.86 1nzk s SER 47 Cb -0.12 0.39 -0.04 0.00 0.10 0.00 0.00 66.02 66.35 1nzk s SER 47 CO 0.27 -0.39 0.45 0.00 0.98 0.00 0.00 173.24 174.55 1nzk s ALA 48 N -1.05 3.51 -0.12 5.32 0.00 -1.26 -1.84 121.76 126.31 1nzk s ALA 48 Ca -0.11 -0.22 0.10 0.00 0.00 0.00 0.00 51.96 51.73 1nzk s ALA 48 Cb -0.05 -2.59 -0.24 0.00 0.00 0.00 0.00 23.12 20.25 1nzk s ALA 48 CO 0.04 0.06 0.36 0.39 0.00 0.00 0.00 175.76 176.60 1nzk n GLU 49 N 3.47 0.67 -3.78 0.00 -0.58 0.92 -4.97 120.64 116.37 1nzk n GLU 49 Ca -0.08 0.19 -0.10 0.00 -0.42 0.00 0.00 57.16 56.75 1nzk n GLU 49 Cb 0.52 -1.67 -0.05 0.00 -0.57 0.00 0.00 31.44 29.66 1nzk n GLU 49 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 1nzk s SER 50 N -6.11 -0.17 0.06 1.62 0.01 -1.21 -5.01 113.70 102.89 1nzk s SER 50 Ca -0.12 -0.56 -0.32 0.00 1.31 0.00 0.00 55.95 56.27 1nzk s SER 50 Cb 0.07 0.52 -0.11 0.00 0.21 0.00 0.00 66.02 66.71 1nzk s SER 50 CO 0.80 -0.97 1.87 0.52 0.41 0.00 0.00 173.24 175.87 1nzk n VAL 51 N -0.28 0.50 -0.32 3.43 0.31 -1.26 -1.03 118.33 119.68 1nzk n VAL 51 Ca -0.11 -0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 1nzk n VAL 51 Cb 0.63 -2.09 0.00 0.00 -0.91 0.00 0.00 33.84 31.47 1nzk n VAL 51 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1nzk n GLY 52 N 4.30 1.70 3.48 2.92 0.00 -1.26 -5.01 105.19 111.32 1nzk n GLY 52 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 1nzk n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nzk s GLU 53 N -0.24 3.66 0.19 1.61 2.02 -0.20 -0.68 118.70 125.06 1nzk s GLU 53 Ca 0.00 -0.51 0.02 0.00 0.02 0.00 0.00 54.97 54.50 1nzk s GLU 53 Cb 0.00 -2.99 -0.05 0.00 0.10 0.00 0.00 34.13 31.19 1nzk s GLU 53 CO 0.00 0.15 0.00 0.14 0.02 0.00 0.00 175.26 175.57 1nzk s VAL 54 N 0.62 0.75 -0.04 2.63 -7.23 -0.02 -0.06 120.40 117.05 1nzk s VAL 54 Ca -0.02 -1.99 0.03 0.00 -1.81 0.00 0.00 61.98 58.19 1nzk s VAL 54 Cb -0.14 -2.18 -0.03 0.00 0.56 0.00 0.00 36.38 34.59 1nzk s VAL 54 CO 0.02 -0.43 -0.12 -0.31 -0.31 0.00 0.00 175.10 173.95 1nzk s TYR 55 N -3.61 2.77 -0.32 2.82 2.02 -0.77 -1.12 117.35 119.14 1nzk s TYR 55 Ca 0.25 -0.11 0.03 0.00 -0.37 0.00 0.00 57.07 56.88 1nzk s TYR 55 Cb 0.06 -1.64 0.09 0.00 -0.40 0.00 0.00 41.96 40.08 1nzk s TYR 55 CO 0.05 0.24 0.03 0.42 -1.57 0.00 0.00 175.55 174.73 1nzk s ILE 56 N -0.79 2.06 -0.16 2.71 1.01 -1.26 -2.23 121.20 122.54 1nzk s ILE 56 Ca 0.12 -2.10 -0.05 0.00 0.00 0.00 0.00 60.65 58.62 1nzk s ILE 56 Cb -0.11 -2.48 -0.03 0.00 0.01 0.00 0.00 42.46 39.85 1nzk s ILE 56 CO 0.02 -0.52 -0.01 -0.75 0.00 0.00 0.00 174.94 173.68 1nzk s LYS 57 N 1.03 3.76 -0.01 2.79 2.20 -0.31 -0.90 119.74 128.30 1nzk s LYS 57 Ca 0.08 -0.46 -0.30 0.00 -0.36 0.00 0.00 55.97 54.93 1nzk s LYS 57 Cb -0.19 -3.01 -0.06 0.00 -1.51 0.00 0.00 37.83 33.06 1nzk s LYS 57 CO -0.10 0.26 1.59 0.45 -0.36 0.00 0.00 175.35 177.19 1nzk s SER 58 N 0.34 6.70 0.30 1.43 0.15 0.29 0.81 113.70 123.71 1nzk s SER 58 Ca -0.02 2.27 0.13 0.00 0.70 0.00 0.00 55.95 59.03 1nzk s SER 58 Cb -0.14 -2.55 0.44 0.00 -1.71 0.00 0.00 66.02 62.07 1nzk s SER 58 CO 0.02 -0.86 1.64 0.71 1.20 0.00 0.00 173.24 175.95 1nzk h THR 59 N 5.20 1.29 0.08 6.45 1.35 -1.53 0.66 112.91 126.41 1nzk h THR 59 Ca -0.40 -1.96 -0.29 0.00 -0.55 0.00 0.00 66.41 63.22 1nzk h THR 59 Cb 1.18 2.09 0.03 0.00 -1.73 0.00 0.00 68.15 69.72 1nzk h THR 59 CO 0.94 0.54 -1.18 -0.08 -0.25 0.00 0.00 175.52 175.48 1nzk h GLU 60 N 0.00 0.63 0.00 4.72 4.57 -1.83 -3.38 114.58 119.30 1nzk h GLU 60 Ca -0.01 -0.79 -0.01 0.00 -1.18 0.00 0.00 59.36 57.38 1nzk h GLU 60 Cb 1.04 0.25 -0.00 0.00 -0.16 0.00 0.00 28.75 29.88 1nzk h GLU 60 CO 0.07 1.35 -1.63 0.25 -1.18 0.00 0.00 179.01 177.88 1nzk n THR 61 N -3.80 0.02 -0.49 0.32 -2.24 -1.22 -4.99 114.28 101.87 1nzk n THR 61 Ca -0.13 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 1nzk n THR 61 Cb 0.96 0.17 0.00 0.00 -2.10 0.00 0.00 70.33 69.36 1nzk n THR 61 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nzk n GLY 62 N 1.74 1.63 3.77 3.38 0.00 0.23 -5.00 105.19 110.94 1nzk n GLY 62 Ca -0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 1nzk n GLY 62 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nzk s GLN 63 N -0.14 4.26 -0.11 1.61 -0.21 -1.25 -4.62 119.66 119.19 1nzk s GLN 63 Ca 0.00 2.10 -0.13 0.00 0.02 0.00 0.00 55.36 57.35 1nzk s GLN 63 Cb 0.00 -2.96 -0.05 0.00 1.00 0.00 0.00 33.01 31.00 1nzk s GLN 63 CO 0.00 -0.23 0.30 0.71 -2.12 0.00 0.00 175.29 173.95 1nzk s TYR 64 N -1.21 3.56 0.21 0.91 1.51 0.20 -0.55 117.35 121.99 1nzk s TYR 64 Ca 0.51 0.69 -0.30 0.00 -1.01 0.00 0.00 57.07 56.97 1nzk s TYR 64 Cb -0.37 -2.25 -0.09 0.00 -0.11 0.00 0.00 41.96 39.13 1nzk s TYR 64 CO 0.49 0.44 1.32 -1.17 -1.11 0.00 0.00 175.55 175.52 1nzk s LEU 65 N -0.23 4.41 0.14 -1.29 2.96 -0.08 0.80 118.68 125.38 1nzk s LEU 65 Ca 0.18 2.44 -0.09 0.00 -0.22 0.00 0.00 54.13 56.44 1nzk s LEU 65 Cb -0.14 -3.61 -0.00 0.00 0.50 0.00 0.00 46.19 42.94 1nzk s LEU 65 CO 0.07 -0.55 0.26 0.00 -1.32 0.00 0.00 176.35 174.81 1nzk s ALA 66 N 0.04 -0.14 -0.12 5.97 0.00 0.71 -4.39 121.76 123.83 1nzk s ALA 66 Ca 0.57 -0.74 -0.00 0.00 0.00 0.00 0.00 51.96 51.78 1nzk s ALA 66 Cb -0.37 0.72 0.02 0.00 0.00 0.00 0.00 23.12 23.49 1nzk s ALA 66 CO 0.39 -0.60 -0.09 1.41 0.00 0.00 0.00 175.76 176.87 1nzk s MET 67 N -3.92 1.71 1.05 0.00 1.75 -0.70 0.12 119.30 119.32 1nzk s MET 67 Ca 0.12 -0.33 -0.17 0.00 -1.25 0.00 0.00 55.69 54.05 1nzk s MET 67 Cb 0.04 -1.69 0.23 0.00 2.84 0.00 0.00 34.83 36.25 1nzk s MET 67 CO -0.05 -0.24 1.24 0.16 -0.65 0.00 0.00 175.02 175.49 1nzk s ASP 68 N 1.58 2.27 0.55 1.11 1.47 0.54 -4.76 116.67 119.44 1nzk s ASP 68 Ca 0.04 0.41 0.23 0.00 1.18 0.00 0.00 52.55 54.41 1nzk s ASP 68 Cb -0.13 -0.53 1.48 0.00 -0.34 0.00 0.00 42.92 43.40 1nzk s ASP 68 CO -0.08 -3.27 2.12 0.00 0.68 0.00 0.00 175.17 174.63 1nzk h THR 69 N -2.00 0.74 -0.23 2.11 1.03 -2.01 -0.14 112.91 112.40 1nzk h THR 69 Ca -0.45 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 65.95 1nzk h THR 69 Cb 1.26 0.90 0.00 0.00 -1.07 0.00 0.00 68.15 69.24 1nzk h THR 69 CO 0.37 0.00 0.00 0.47 -0.01 0.00 0.00 175.52 176.35 1nzk n ASP 70 N -4.21 2.68 0.00 0.00 8.00 -1.26 -4.93 116.55 116.83 1nzk n ASP 70 Ca 0.01 -1.87 0.00 0.00 0.71 0.00 0.00 54.79 53.64 1nzk n ASP 70 Cb 0.25 -0.14 0.00 0.00 -0.02 0.00 0.00 41.12 41.21 1nzk n ASP 70 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1nzk n GLY 71 N 1.34 0.74 3.71 0.44 0.00 -0.07 -4.65 105.19 106.71 1nzk n GLY 71 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1nzk n GLY 71 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nzk s LEU 72 N 0.00 4.35 0.01 0.99 1.43 -1.26 -1.34 118.68 122.86 1nzk s LEU 72 Ca 0.00 1.46 -0.26 0.00 -1.03 0.00 0.00 54.13 54.30 1nzk s LEU 72 Cb 0.00 -3.36 -0.04 0.00 0.03 0.00 0.00 46.19 42.82 1nzk s LEU 72 CO 0.00 -0.19 0.81 -0.69 0.23 0.00 0.00 176.35 176.51 1nzk s VAL 73 N 0.88 4.84 0.24 -1.59 1.01 -1.26 -0.34 120.40 124.18 1nzk s VAL 73 Ca 0.46 1.70 -0.05 0.00 0.00 0.00 0.00 61.98 64.09 1nzk s VAL 73 Cb -0.20 -4.15 -0.02 0.00 0.00 0.00 0.00 36.38 32.01 1nzk s VAL 73 CO 0.24 0.28 0.29 -0.72 0.00 0.00 0.00 175.10 175.19 1nzk s TYR 74 N 0.44 0.91 -0.26 5.22 1.13 0.12 -4.56 117.35 120.35 1nzk s TYR 74 Ca 0.42 -1.16 -0.11 0.00 -1.41 0.00 0.00 57.07 54.80 1nzk s TYR 74 Cb -0.20 -0.27 -0.05 0.00 -1.10 0.00 0.00 41.96 40.34 1nzk s TYR 74 CO 0.23 -0.82 0.20 0.20 -2.51 0.00 0.00 175.55 172.86 1nzk s GLY 75 N -3.13 1.96 -0.16 5.49 0.00 -0.81 -0.21 107.32 110.46 1nzk s GLY 75 Ca 0.33 -0.95 -0.07 0.00 0.00 0.00 0.00 44.72 44.02 1nzk s GLY 75 CO 0.13 0.58 0.09 -0.45 0.00 0.00 0.00 173.10 173.44 1nzk s SER 76 N 1.42 5.91 0.30 1.64 0.15 0.24 -4.75 113.70 118.60 1nzk s SER 76 Ca 0.08 0.22 0.03 0.00 0.70 0.00 0.00 55.95 56.98 1nzk s SER 76 Cb -0.15 -1.96 0.47 0.00 -1.71 0.00 0.00 66.02 62.67 1nzk s SER 76 CO 0.08 0.26 1.78 1.56 1.20 0.00 0.00 173.24 178.12 1nzk h GLN 77 N 6.06 0.52 -6.16 5.44 1.08 -1.91 0.58 115.11 120.72 1nzk h GLN 77 Ca -0.44 -0.16 -0.57 0.00 -1.45 0.00 0.00 58.65 56.03 1nzk h GLN 77 Cb 1.18 -0.05 -0.23 0.00 -0.05 0.00 0.00 27.48 28.33 1nzk h GLN 77 CO 0.67 0.66 -0.83 0.95 -0.95 0.00 0.00 178.83 179.32 1nzk s THR 78 N -4.70 1.72 0.20 -0.54 -4.23 -1.26 -4.75 115.64 102.08 1nzk s THR 78 Ca -0.07 -1.46 -0.30 0.00 -1.18 0.00 0.00 61.69 58.67 1nzk s THR 78 Cb 0.14 -1.54 -0.08 0.00 1.34 0.00 0.00 72.50 72.36 1nzk s THR 78 CO 0.78 0.01 1.18 -2.16 -0.54 0.00 0.00 174.62 173.90 1nzk s PRO 79 N -1.73 4.51 0.34 3.99 0.04 -1.26 -4.88 135.00 136.01 1nzk s PRO 79 Ca 0.07 1.86 -0.03 0.00 0.04 0.00 0.00 61.00 62.94 1nzk s PRO 79 Cb -0.10 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.21 1nzk s PRO 79 CO 0.04 -0.05 0.49 0.54 0.04 0.00 0.00 177.00 178.05 1nzk s ASN 80 N 0.01 0.84 0.62 6.66 2.20 -1.26 -5.02 114.94 118.98 1nzk s ASN 80 Ca 0.52 -1.45 0.32 0.00 -0.94 0.00 0.00 52.86 51.31 1nzk s ASN 80 Cb -0.32 0.67 1.84 0.00 -2.00 0.00 0.00 41.25 41.43 1nzk s ASN 80 CO 0.37 -1.31 2.16 1.05 -2.94 0.00 0.00 177.10 176.43 1nzk h GLU 81 N 2.11 0.00 -0.00 3.55 4.11 -1.98 0.37 114.58 122.74 1nzk h GLU 81 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.15 1nzk h GLU 81 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1nzk h GLU 81 CO 0.39 0.00 -0.02 0.39 0.07 0.00 0.00 179.01 179.84 1nzk n GLU 82 N -3.55 0.28 0.02 1.06 1.02 -1.26 -3.54 120.64 114.67 1nzk n GLU 82 Ca -0.01 -0.01 0.12 0.00 -0.02 0.00 0.00 57.16 57.24 1nzk n GLU 82 Cb 0.24 -1.50 0.11 0.00 -0.02 0.00 0.00 31.44 30.27 1nzk n GLU 82 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1nzk s LEU 84 N -3.62 4.47 0.01 0.00 1.43 -1.23 -4.48 118.68 115.25 1nzk s LEU 84 Ca 0.07 1.36 0.05 0.00 -1.03 0.00 0.00 54.13 54.57 1nzk s LEU 84 Cb 0.15 -3.10 -0.02 0.00 0.03 0.00 0.00 46.19 43.26 1nzk s LEU 84 CO 0.76 0.10 -0.14 -0.36 0.23 0.00 0.00 176.35 176.94 1nzk s PHE 85 N -0.36 1.26 -0.47 0.29 0.40 -0.27 -1.75 117.98 117.07 1nzk s PHE 85 Ca 0.35 -0.28 -0.25 0.00 -0.60 0.00 0.00 56.93 56.15 1nzk s PHE 85 Cb -0.20 -0.79 0.03 0.00 0.51 0.00 0.00 43.02 42.57 1nzk s PHE 85 CO 0.21 0.00 0.90 -0.51 0.70 0.00 0.00 175.22 176.53 1nzk s LEU 86 N -0.66 4.07 -0.31 -0.37 1.43 0.32 -0.84 118.68 122.32 1nzk s LEU 86 Ca 0.04 -0.00 -0.24 0.00 -1.03 0.00 0.00 54.13 52.89 1nzk s LEU 86 Cb -0.06 -3.09 0.00 0.00 0.03 0.00 0.00 46.19 43.07 1nzk s LEU 86 CO 0.00 -1.05 0.84 -0.70 0.23 0.00 0.00 176.35 175.66 1nzk s GLU 87 N 3.70 3.96 0.15 1.70 2.12 0.14 -1.37 118.70 129.09 1nzk s GLU 87 Ca 0.35 0.64 0.05 0.00 0.36 0.00 0.00 54.97 56.37 1nzk s GLU 87 Cb -0.11 -3.74 -0.04 0.00 0.26 0.00 0.00 34.13 30.50 1nzk s GLU 87 CO 0.25 -0.74 -0.12 1.03 -0.54 0.00 0.00 175.26 175.14 1nzk s ARG 88 N 3.09 1.08 0.27 4.30 1.81 -0.22 -4.73 118.95 124.55 1nzk s ARG 88 Ca 0.34 -1.39 -0.24 0.00 -1.72 0.00 0.00 55.73 52.72 1nzk s ARG 88 Cb -0.14 -0.80 -0.09 0.00 -0.45 0.00 0.00 34.95 33.48 1nzk s ARG 88 CO 0.13 0.13 0.85 -1.17 -0.68 0.00 0.00 175.30 174.56 1nzk s LEU 89 N -2.93 4.39 -0.01 2.53 2.96 -0.51 0.43 118.68 125.55 1nzk s LEU 89 Ca 0.15 1.68 0.00 0.00 -0.22 0.00 0.00 54.13 55.74 1nzk s LEU 89 Cb -0.01 -3.76 0.01 0.00 0.50 0.00 0.00 46.19 42.93 1nzk s LEU 89 CO 0.02 0.01 -0.00 -0.70 -1.32 0.00 0.00 176.35 174.37 1nzk s GLU 90 N -1.86 0.06 -1.33 1.98 2.56 0.31 -4.82 118.70 115.60 1nzk s GLU 90 Ca 0.45 0.01 -0.02 0.00 0.00 0.00 0.00 54.97 55.42 1nzk s GLU 90 Cb -0.19 -0.11 0.01 0.00 2.00 0.00 0.00 34.13 35.84 1nzk s GLU 90 CO 0.24 -0.02 0.14 0.39 -0.56 0.00 0.00 175.26 175.45 1nzk n GLU 91 N 3.30 -2.58 -0.00 4.30 1.02 -1.26 -0.53 120.64 124.89 1nzk n GLU 91 Ca -0.16 0.73 0.00 0.00 -0.02 0.00 0.00 57.16 57.71 1nzk n GLU 91 Cb 0.58 -5.39 0.00 0.00 -0.02 0.00 0.00 31.44 26.60 1nzk n GLU 91 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1nzk n ASN 92 N -2.01 0.00 0.00 1.62 4.13 -1.26 -4.54 115.26 113.19 1nzk n ASN 92 Ca -0.15 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.11 1nzk n ASN 92 Cb 0.62 -0.87 0.00 0.00 -1.54 0.00 0.00 39.78 37.99 1nzk n ASN 92 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 1nzk n HIS 93 N -2.00 0.00 -3.26 3.10 8.25 -0.69 -5.12 115.22 115.50 1nzk n HIS 93 Ca 0.00 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.26 1nzk n HIS 93 Cb 0.00 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.12 1nzk n HIS 93 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1nzk s TYR 94 N 0.00 2.24 -0.04 4.41 2.02 0.31 -4.89 117.35 121.40 1nzk s TYR 94 Ca 0.00 -0.57 0.03 0.00 -0.37 0.00 0.00 57.07 56.16 1nzk s TYR 94 Cb 0.00 -2.22 -0.03 0.00 -0.40 0.00 0.00 41.96 39.31 1nzk s TYR 94 CO 0.00 -0.56 -0.11 -0.80 -1.57 0.00 0.00 175.55 172.51 1nzk s ASN 95 N -4.38 4.30 0.16 2.29 -0.87 0.82 -0.53 114.94 116.73 1nzk s ASN 95 Ca 0.53 -0.15 0.09 0.00 -1.57 0.00 0.00 52.86 51.76 1nzk s ASN 95 Cb -0.06 -0.97 -0.04 0.00 -0.02 0.00 0.00 41.25 40.16 1nzk s ASN 95 CO 0.32 0.34 -0.20 0.42 -2.57 0.00 0.00 177.10 175.40 1nzk s THR 96 N -0.81 1.95 -0.27 1.60 -4.23 0.17 -1.48 115.64 112.56 1nzk s THR 96 Ca 0.13 -1.88 -0.00 0.00 -1.18 0.00 0.00 61.69 58.76 1nzk s THR 96 Cb -0.11 -1.87 0.08 0.00 1.34 0.00 0.00 72.50 71.94 1nzk s THR 96 CO 0.02 -0.21 0.04 -0.31 -0.54 0.00 0.00 174.62 173.62 1nzk s TYR 97 N -1.77 2.09 -0.12 3.99 2.02 -1.26 -1.05 117.35 121.25 1nzk s TYR 97 Ca 0.15 -1.78 -0.12 0.00 -0.37 0.00 0.00 57.07 54.95 1nzk s TYR 97 Cb -0.07 -1.74 -0.05 0.00 -0.40 0.00 0.00 41.96 39.70 1nzk s TYR 97 CO 0.07 -0.82 0.27 0.42 -1.57 0.00 0.00 175.55 173.92 1nzk s ILE 98 N 1.49 5.30 -0.02 2.71 1.01 -0.47 -1.19 121.20 130.03 1nzk s ILE 98 Ca 0.04 0.50 -0.30 0.00 0.00 0.00 0.00 60.65 60.89 1nzk s ILE 98 Cb -0.18 -3.58 -0.06 0.00 0.01 0.00 0.00 42.46 38.65 1nzk s ILE 98 CO -0.15 0.49 1.71 -0.55 0.00 0.00 0.00 174.94 176.44 1nzk s SER 99 N -0.21 6.62 0.07 3.58 0.15 0.11 0.12 113.70 124.14 1nzk s SER 99 Ca 0.17 2.34 -0.24 0.00 0.70 0.00 0.00 55.95 58.91 1nzk s SER 99 Cb -0.13 -2.54 -0.16 0.00 -1.71 0.00 0.00 66.02 61.48 1nzk s SER 99 CO 0.05 -0.94 1.65 0.50 1.20 0.00 0.00 173.24 175.70 1nzk h LYS 100 N 9.59 -0.10 -0.87 5.44 3.64 -1.66 0.29 116.57 132.90 1nzk h LYS 100 Ca -0.41 0.01 0.12 0.00 -1.27 0.00 0.00 60.65 59.10 1nzk h LYS 100 Cb 1.19 0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 32.97 1nzk h LYS 100 CO 0.95 0.00 0.56 -0.22 -2.27 0.00 0.00 179.45 178.47 1nzk h LYS 101 N -0.18 0.72 -0.41 1.90 3.64 -1.77 -2.14 116.57 118.32 1nzk h LYS 101 Ca -0.01 -0.04 -0.16 0.00 -1.27 0.00 0.00 60.65 59.17 1nzk h LYS 101 Cb 0.15 -0.16 -0.09 0.00 -0.41 0.00 0.00 32.23 31.72 1nzk h LYS 101 CO 0.02 0.47 0.04 0.72 -2.27 0.00 0.00 179.45 178.43 1nzk n HIS 102 N -4.54 1.32 -0.35 1.91 8.25 -1.05 -4.77 115.22 115.99 1nzk n HIS 102 Ca 0.16 -1.36 0.11 0.00 -0.26 0.00 0.00 57.72 56.37 1nzk n HIS 102 Cb 0.41 -0.49 0.30 0.00 1.12 0.00 0.00 29.99 31.32 1nzk n HIS 102 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1nzk h ALA 103 N 1.38 1.63 0.00 -1.41 0.00 0.27 0.21 119.26 121.34 1nzk h ALA 103 Ca 0.19 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1nzk h ALA 103 Cb 1.75 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.41 1nzk h ALA 103 CO 0.43 0.05 0.00 1.05 0.00 0.00 0.00 179.25 180.78 1nzk h GLU 104 N 0.85 0.00 -0.02 0.00 9.09 -1.86 -1.78 114.58 120.87 1nzk h GLU 104 Ca 0.54 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.95 1nzk h GLU 104 Cb 0.74 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.84 1nzk h GLU 104 CO -0.33 0.00 -0.29 1.63 0.05 0.00 0.00 179.01 180.07 1nzk n LYS 105 N -2.62 1.33 -3.45 1.06 5.02 0.05 -4.97 118.16 114.58 1nzk n LYS 105 Ca 0.00 -1.00 -0.18 0.00 -2.02 0.00 0.00 58.31 55.11 1nzk n LYS 105 Cb 0.18 -1.48 0.07 0.00 -0.02 0.00 0.00 35.03 33.78 1nzk n LYS 105 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1nzk n ASN 106 N 0.04 -3.28 -4.65 4.39 5.03 -0.67 -4.95 115.26 111.17 1nzk n ASN 106 Ca 0.12 -0.70 -0.38 0.00 0.87 0.00 0.00 54.58 54.48 1nzk n ASN 106 Cb 0.44 -4.85 -0.08 0.00 -1.02 0.00 0.00 39.78 34.27 1nzk n ASN 106 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 1nzk s TRP 107 N -3.43 3.33 0.38 3.10 0.52 -1.24 -4.50 118.94 117.10 1nzk s TRP 107 Ca 0.15 0.53 0.07 0.00 0.02 0.00 0.00 56.10 56.87 1nzk s TRP 107 Cb -0.03 -2.53 -0.07 0.00 -1.15 0.00 0.00 33.47 29.69 1nzk s TRP 107 CO 0.76 -0.07 -0.01 -0.06 0.02 0.00 0.00 176.95 177.58 1nzk s PHE 108 N 1.54 2.43 -0.01 -1.98 0.40 -1.26 -0.72 117.98 118.37 1nzk s PHE 108 Ca 0.17 -0.66 -0.26 0.00 -0.60 0.00 0.00 56.93 55.58 1nzk s PHE 108 Cb -0.15 -1.63 -0.04 0.00 0.51 0.00 0.00 43.02 41.71 1nzk s PHE 108 CO 0.08 0.43 0.82 -1.17 0.70 0.00 0.00 175.22 176.08 1nzk s LEU 109 N -3.66 4.37 -0.04 -0.37 2.96 -0.33 -4.69 118.68 116.91 1nzk s LEU 109 Ca 0.34 1.42 -0.28 0.00 -0.22 0.00 0.00 54.13 55.39 1nzk s LEU 109 Cb 0.08 -3.29 0.06 0.00 0.50 0.00 0.00 46.19 43.54 1nzk s LEU 109 CO 0.17 -0.13 0.61 -0.83 -1.32 0.00 0.00 176.35 174.85 1nzk s GLY 110 N 0.66 -0.50 -0.11 7.98 0.00 -1.26 -4.43 107.32 109.65 1nzk s GLY 110 Ca 0.43 1.14 0.02 0.00 0.00 0.00 0.00 44.72 46.31 1nzk s GLY 110 CO 0.23 0.81 -0.17 -0.42 0.00 0.00 0.00 173.10 173.55 1nzk s ILE 111 N -1.21 1.60 0.92 0.90 1.01 -0.83 -1.10 121.20 122.50 1nzk s ILE 111 Ca -0.11 -0.71 -0.12 0.00 0.00 0.00 0.00 60.65 59.70 1nzk s ILE 111 Cb -0.01 -1.45 0.14 0.00 0.01 0.00 0.00 42.46 41.16 1nzk s ILE 111 CO 0.09 0.46 1.10 -0.54 0.00 0.00 0.00 174.94 176.05 1nzk s LYS 112 N 0.86 1.04 0.59 2.79 1.02 -0.03 -4.56 119.74 121.45 1nzk s LYS 112 Ca -0.09 0.67 0.33 0.00 0.02 0.00 0.00 55.97 56.91 1nzk s LYS 112 Cb -0.15 -1.80 1.87 0.00 -0.52 0.00 0.00 37.83 37.23 1nzk s LYS 112 CO 0.00 -2.35 2.23 0.87 -0.92 0.00 0.00 175.35 175.18 1nzk h LYS 113 N -1.62 0.00 -0.11 1.68 1.57 -1.88 -1.09 116.57 115.12 1nzk h LYS 113 Ca -0.51 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 1nzk h LYS 113 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.61 1nzk h LYS 113 CO 0.56 0.03 0.00 0.27 -0.57 0.00 0.00 179.45 179.75 1nzk n ASN 114 N -3.54 1.12 0.00 0.86 0.23 -1.26 -4.76 115.26 107.91 1nzk n ASN 114 Ca -0.02 -1.60 0.00 0.00 -0.53 0.00 0.00 54.58 52.42 1nzk n ASN 114 Cb 0.13 -0.07 0.00 0.00 -2.08 0.00 0.00 39.78 37.77 1nzk n ASN 114 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1nzk n GLY 115 N 1.02 0.74 3.83 4.83 0.00 -0.41 -5.00 105.19 110.21 1nzk n GLY 115 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 1nzk n GLY 115 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1nzk s SER 116 N -2.48 6.87 0.30 1.61 1.04 -1.26 -0.26 113.70 119.52 1nzk s SER 116 Ca 0.00 1.04 -0.28 0.00 0.48 0.00 0.00 55.95 57.19 1nzk s SER 116 Cb 0.00 -2.28 -0.09 0.00 0.10 0.00 0.00 66.02 63.75 1nzk s SER 116 CO 0.00 0.31 1.08 -0.69 0.98 0.00 0.00 173.24 174.91 1nzk s VAL 117 N -1.10 3.58 0.42 5.02 1.01 -1.26 -0.85 120.40 127.21 1nzk s VAL 117 Ca 0.25 1.50 -0.14 0.00 0.00 0.00 0.00 61.98 63.59 1nzk s VAL 117 Cb -0.17 -3.92 -0.08 0.00 0.00 0.00 0.00 36.38 32.21 1nzk s VAL 117 CO 0.15 0.29 0.84 -0.54 0.00 0.00 0.00 175.10 175.84 1nzk s LYS 118 N -1.66 3.92 0.20 2.72 1.02 -0.25 -4.89 119.74 120.79 1nzk s LYS 118 Ca 0.47 0.71 -0.22 0.00 0.02 0.00 0.00 55.97 56.95 1nzk s LYS 118 Cb -0.29 -2.31 -0.08 0.00 -0.52 0.00 0.00 37.83 34.63 1nzk s LYS 118 CO 0.37 -0.06 0.75 0.50 -0.92 0.00 0.00 175.35 176.00 1nzk s ARG 119 N -3.66 4.40 0.08 1.68 3.52 -1.26 -4.66 118.95 119.05 1nzk s ARG 119 Ca 0.55 1.01 -0.15 0.00 -0.13 0.00 0.00 55.73 57.01 1nzk s ARG 119 Cb -0.10 -3.06 -0.03 0.00 -1.56 0.00 0.00 34.95 30.20 1nzk s ARG 119 CO 0.26 0.48 0.92 0.41 -0.81 0.00 0.00 175.30 176.56 1nzk n GLY 120 N 1.14 -1.81 0.33 8.12 0.00 -0.45 0.02 105.19 112.54 1nzk n GLY 120 Ca -0.04 0.68 0.21 0.00 0.00 0.00 0.00 46.02 46.87 1nzk n GLY 120 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1nzk h PRO 121 N 0.00 0.00 0.00 1.61 0.11 -1.88 -0.69 132.00 131.15 1nzk h PRO 121 Ca 0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.19 1nzk h PRO 121 Cb 0.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.31 1nzk h PRO 121 CO -0.45 0.00 -0.06 0.54 -0.21 0.00 0.00 178.00 177.82 1nzk n ARG 122 N -3.25 0.21 -2.89 1.05 5.12 0.10 -4.84 116.66 112.16 1nzk n ARG 122 Ca -0.03 0.16 -0.25 0.00 -1.93 0.00 0.00 57.85 55.80 1nzk n ARG 122 Cb 0.08 -1.73 0.01 0.00 -1.16 0.00 0.00 32.46 29.66 1nzk n ARG 122 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1nzk s THR 123 N -3.08 4.31 -0.19 0.55 -4.23 -0.27 -4.97 115.64 107.75 1nzk s THR 123 Ca 0.11 -0.28 -0.32 0.00 -1.18 0.00 0.00 61.69 60.02 1nzk s THR 123 Cb 0.14 -3.61 0.15 0.00 1.34 0.00 0.00 72.50 70.51 1nzk s THR 123 CO 0.60 -0.49 1.17 -1.38 -0.54 0.00 0.00 174.62 173.97 1nzk s HIS 124 N -2.62 -0.18 0.35 3.99 -3.43 -1.26 -4.84 115.29 107.29 1nzk s HIS 124 Ca 0.48 0.22 -0.28 0.00 -0.80 0.00 0.00 55.06 54.68 1nzk s HIS 124 Cb -0.10 0.50 -0.12 0.00 -1.43 0.00 0.00 32.58 31.42 1nzk s HIS 124 CO 0.40 -0.22 1.33 0.66 -2.00 0.00 0.00 174.74 174.91 1nzk n TYR 125 N 0.25 2.42 0.00 0.38 4.01 -1.26 -2.45 117.16 120.52 1nzk n TYR 125 Ca -0.03 0.53 0.00 0.00 -0.16 0.00 0.00 57.90 58.24 1nzk n TYR 125 Cb 0.59 -2.44 0.00 0.00 -0.31 0.00 0.00 39.34 37.18 1nzk n TYR 125 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1nzk n GLY 126 N 0.71 1.50 3.87 2.72 0.00 -1.26 -5.08 105.19 107.66 1nzk n GLY 126 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 1nzk n GLY 126 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nzk s GLN 127 N -0.90 3.74 0.26 1.61 -0.21 -1.02 -4.97 119.66 118.16 1nzk s GLN 127 Ca 0.00 0.71 0.19 0.00 0.02 0.00 0.00 55.36 56.29 1nzk s GLN 127 Cb 0.00 -2.18 0.08 0.00 1.00 0.00 0.00 33.01 31.90 1nzk s GLN 127 CO 0.00 -0.34 1.25 1.57 -2.12 0.00 0.00 175.29 175.66 1nzk h LYS 128 N 0.42 0.00 0.00 2.91 5.09 -1.98 -3.29 116.57 119.72 1nzk h LYS 128 Ca -0.46 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.27 1nzk h LYS 128 Cb 1.19 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 33.52 1nzk h LYS 128 CO 0.62 0.20 -0.04 0.00 -2.09 0.00 0.00 179.45 178.14 1nzk h ALA 129 N 1.74 1.35 -0.01 0.07 0.00 -1.94 -2.32 119.26 118.14 1nzk h ALA 129 Ca -0.04 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1nzk h ALA 129 Cb 1.23 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1nzk h ALA 129 CO 0.03 0.05 -0.04 0.44 0.00 0.00 0.00 179.25 179.73 1nzk n ILE 130 N -3.64 0.00 -3.22 0.00 -5.35 -1.24 -1.96 119.36 103.96 1nzk n ILE 130 Ca -0.02 -0.17 -0.40 0.00 -0.27 0.00 0.00 62.75 61.88 1nzk n ILE 130 Cb 0.14 0.24 -0.07 0.00 -1.74 0.00 0.00 39.64 38.21 1nzk n ILE 130 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1nzk s LEU 131 N -2.11 4.14 0.14 7.28 1.43 -0.87 -4.44 118.68 124.24 1nzk s LEU 131 Ca 0.37 0.36 0.11 0.00 -1.03 0.00 0.00 54.13 53.94 1nzk s LEU 131 Cb 0.21 -2.67 -0.04 0.00 0.03 0.00 0.00 46.19 43.72 1nzk s LEU 131 CO 0.38 -0.37 -0.26 -0.36 0.23 0.00 0.00 176.35 175.97 1nzk s PHE 132 N 2.39 2.34 -0.17 0.29 0.40 -0.55 -1.64 117.98 121.03 1nzk s PHE 132 Ca 0.21 -0.36 0.01 0.00 -0.60 0.00 0.00 56.93 56.19 1nzk s PHE 132 Cb -0.15 -1.25 0.03 0.00 0.51 0.00 0.00 43.02 42.15 1nzk s PHE 132 CO 0.11 0.36 -0.15 -1.17 0.70 0.00 0.00 175.22 175.07 1nzk s LEU 133 N -2.14 2.04 -0.39 -0.37 2.96 0.08 -0.13 118.68 120.73 1nzk s LEU 133 Ca 0.15 -0.67 -0.28 0.00 -0.22 0.00 0.00 54.13 53.11 1nzk s LEU 133 Cb -0.10 -1.30 0.02 0.00 0.50 0.00 0.00 46.19 45.31 1nzk s LEU 133 CO 0.07 -0.07 1.04 -2.16 -1.32 0.00 0.00 176.35 173.91 1nzk s PRO 134 N 1.39 3.85 0.10 0.98 0.04 -1.26 -1.45 135.00 138.65 1nzk s PRO 134 Ca 0.03 0.70 0.02 0.00 0.04 0.00 0.00 61.00 61.78 1nzk s PRO 134 Cb -0.14 -3.83 -0.04 0.00 0.04 0.00 0.00 34.50 30.54 1nzk s PRO 134 CO -0.11 -1.09 0.18 -0.51 0.04 0.00 0.00 177.00 175.52 1nzk s LEU 135 N 3.86 4.15 0.59 -3.56 1.43 0.56 -4.87 118.68 120.84 1nzk s LEU 135 Ca 0.43 0.13 -0.19 0.00 -1.03 0.00 0.00 54.13 53.47 1nzk s LEU 135 Cb -0.10 -2.76 -0.03 0.00 0.03 0.00 0.00 46.19 43.32 1nzk s LEU 135 CO 0.22 0.13 1.26 -2.16 0.23 0.00 0.00 176.35 176.03 1nzk s PRO 136 N -2.72 2.92 0.00 1.29 0.04 -1.26 0.19 135.00 135.46 1nzk s PRO 136 Ca 0.33 1.96 0.31 0.00 0.04 0.00 0.00 61.00 63.64 1nzk s PRO 136 Cb -0.12 -1.98 1.67 0.00 0.04 0.00 0.00 34.50 34.10 1nzk s PRO 136 CO 0.26 -1.29 2.09 0.28 0.04 0.00 0.00 177.00 178.39