#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 1.23 -2.79 -1.40 7.35 -1.26 -5.02 117.46 115.56 1nzk n PHE 1 Ca 0.00 -1.74 -0.42 0.00 -0.76 0.00 0.00 57.45 54.53 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 -3.30 6.99 0.19 -2.13 0.01 -1.26 -5.03 114.94 110.40 1nzk s ASN 2 Ca 0.41 1.23 0.08 0.00 -0.71 0.00 0.00 52.86 53.87 1nzk s ASN 2 Cb 0.38 -2.49 -0.04 0.00 0.41 0.00 0.00 41.25 39.51 1nzk s ASN 2 CO -0.04 -0.54 -0.05 -0.76 -1.51 0.00 0.00 177.10 174.20 1nzk s LEU 3 N 2.75 3.11 0.56 0.60 1.43 -1.26 -1.36 118.68 124.51 1nzk s LEU 3 Ca 0.40 -0.53 -0.10 0.00 -1.03 0.00 0.00 54.13 52.87 1nzk s LEU 3 Cb -0.16 -1.76 -0.05 0.00 0.03 0.00 0.00 46.19 44.26 1nzk s LEU 3 CO 0.09 0.09 0.95 -2.16 0.23 0.00 0.00 176.35 175.54 1nzk s PRO 4 N -2.97 3.64 0.51 1.29 0.04 -1.26 -4.69 135.00 131.56 1nzk s PRO 4 Ca 0.27 0.63 -0.23 0.00 0.04 0.00 0.00 61.00 61.70 1nzk s PRO 4 Cb -0.09 -2.18 -0.06 0.00 0.04 0.00 0.00 34.50 32.22 1nzk s PRO 4 CO 0.17 -0.41 1.35 -1.25 0.04 0.00 0.00 177.00 176.89 1nzk s PRO 5 N -4.86 3.33 0.23 0.56 0.04 -1.26 -4.87 135.00 128.17 1nzk s PRO 5 Ca 0.53 2.22 -0.28 0.00 0.04 0.00 0.00 61.00 63.51 1nzk s PRO 5 Cb -0.11 -2.36 -0.16 0.00 0.04 0.00 0.00 34.50 31.91 1nzk s PRO 5 CO 0.48 -1.04 0.77 0.41 0.04 0.00 0.00 177.00 177.66 1nzk n GLY 6 N 0.67 -1.01 2.64 0.56 0.00 -1.26 -4.98 105.19 101.80 1nzk n GLY 6 Ca 0.09 0.35 -0.10 0.00 0.00 0.00 0.00 46.02 46.36 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 1.66 -1.41 0.00 1.61 5.03 -1.26 -4.92 115.26 115.97 1nzk n ASN 7 Ca 0.14 -3.10 0.00 0.00 0.87 0.00 0.00 54.58 52.49 1nzk n ASN 7 Cb 0.28 1.05 0.00 0.00 -1.02 0.00 0.00 39.78 40.09 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 -0.01 0.00 -0.30 3.10 4.01 -1.26 -4.59 117.16 118.10 1nzk n TYR 8 Ca 0.06 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.77 1nzk n TYR 8 Cb 0.76 0.00 0.09 0.00 -0.31 0.00 0.00 39.34 39.88 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 1.03 -5.98 -0.72 6.56 -1.91 -3.44 116.57 112.11 1nzk h LYS 9 Ca 0.00 -0.06 -0.55 0.00 -1.06 0.00 0.00 60.65 58.98 1nzk h LYS 9 Cb 0.00 -0.23 -0.15 0.00 -0.57 0.00 0.00 32.23 31.28 1nzk h LYS 9 CO 0.00 0.68 -0.76 0.15 -2.06 0.00 0.00 179.45 177.47 1nzk s LYS 10 N -6.11 1.51 0.67 3.15 1.02 -1.26 -5.12 119.74 113.59 1nzk s LYS 10 Ca -0.13 -1.66 -0.15 0.00 0.02 0.00 0.00 55.97 54.05 1nzk s LYS 10 Cb 0.16 -1.51 0.00 0.00 -0.52 0.00 0.00 37.83 35.97 1nzk s LYS 10 CO 0.79 0.28 1.13 -1.25 -0.92 0.00 0.00 175.35 175.38 1nzk s PRO 11 N -3.45 2.71 0.13 -1.68 0.04 -1.26 -4.74 135.00 126.74 1nzk s PRO 11 Ca 0.26 1.47 0.00 0.00 0.04 0.00 0.00 61.00 62.77 1nzk s PRO 11 Cb -0.04 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 1nzk s PRO 11 CO 0.11 -1.34 0.00 0.15 0.04 0.00 0.00 177.00 175.97 1nzk s LYS 12 N -4.01 0.92 -0.15 4.56 -0.14 0.48 -4.06 119.74 117.34 1nzk s LYS 12 Ca 0.69 -1.42 -0.07 0.00 -1.36 0.00 0.00 55.97 53.80 1nzk s LYS 12 Cb -0.22 -0.02 -0.04 0.00 -1.68 0.00 0.00 37.83 35.87 1nzk s LYS 12 CO 0.41 -0.15 0.10 -0.51 -0.76 0.00 0.00 175.35 174.44 1nzk s LEU 13 N -3.07 4.08 -0.67 3.17 1.43 0.10 -0.90 118.68 122.83 1nzk s LEU 13 Ca 0.19 0.26 -0.15 0.00 -1.03 0.00 0.00 54.13 53.40 1nzk s LEU 13 Cb 0.07 -2.01 0.17 0.00 0.03 0.00 0.00 46.19 44.44 1nzk s LEU 13 CO -0.01 0.28 0.61 -0.76 0.23 0.00 0.00 176.35 176.71 1nzk s LEU 14 N -0.25 6.42 -0.28 1.79 1.43 -1.26 -0.42 118.68 126.11 1nzk s LEU 14 Ca 0.10 -2.21 -0.22 0.00 -1.03 0.00 0.00 54.13 50.76 1nzk s LEU 14 Cb -0.12 -2.20 -0.01 0.00 0.03 0.00 0.00 46.19 43.90 1nzk s LEU 14 CO 0.01 -0.72 0.73 -0.47 0.23 0.00 0.00 176.35 176.13 1nzk s TYR 15 N 0.92 3.25 -0.27 0.29 5.04 -0.92 -1.14 117.35 124.53 1nzk s TYR 15 Ca 0.10 0.85 -0.20 0.00 -2.44 0.00 0.00 57.07 55.37 1nzk s TYR 15 Cb -0.21 -3.05 -0.02 0.00 0.35 0.00 0.00 41.96 39.04 1nzk s TYR 15 CO -0.03 -0.45 0.64 0.00 -1.34 0.00 0.00 175.55 174.37 1nzk h SER 17 N 7.97 0.00 0.02 0.00 4.64 -1.64 -1.05 113.55 123.48 1nzk h SER 17 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1nzk h SER 17 Cb 1.12 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.20 1nzk h SER 17 CO 0.78 0.00 -0.14 -1.13 -0.87 0.00 0.00 176.83 175.48 1nzk h ASN 18 N 0.00 -0.42 -0.12 4.97 -1.24 -1.79 -3.31 115.58 113.67 1nzk h ASN 18 Ca 0.00 0.05 0.00 0.00 0.71 0.00 0.00 56.30 57.06 1nzk h ASN 18 Cb 0.41 0.16 0.00 0.00 0.73 0.00 0.00 38.32 39.61 1nzk h ASN 18 CO 0.00 -0.14 0.00 0.61 -1.29 0.00 0.00 177.43 176.61 1nzk n GLY 19 N -1.12 2.15 2.37 1.57 0.00 -1.25 -4.85 105.19 104.05 1nzk n GLY 19 Ca -0.02 -0.16 -0.10 0.00 0.00 0.00 0.00 46.02 45.74 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 0.00 0.05 3.63 -0.02 0.00 -0.43 -5.01 105.19 103.41 1nzk n GLY 20 Ca 0.05 -0.17 -0.30 0.00 0.00 0.00 0.00 46.02 45.59 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 -3.19 2.86 -0.15 1.61 3.76 -1.03 -4.61 115.29 114.55 1nzk s HIS 21 Ca 0.07 -0.08 -0.13 0.00 -0.15 0.00 0.00 55.06 54.77 1nzk s HIS 21 Cb -0.03 -1.50 -0.05 0.00 1.11 0.00 0.00 32.58 32.11 1nzk s HIS 21 CO 0.39 0.44 0.27 -0.06 -0.85 0.00 0.00 174.74 174.93 1nzk s PHE 22 N -1.22 3.48 0.34 1.40 0.08 0.17 0.36 117.98 122.59 1nzk s PHE 22 Ca 0.23 0.58 -0.29 0.00 0.12 0.00 0.00 56.93 57.57 1nzk s PHE 22 Cb -0.11 -2.30 -0.12 0.00 -0.57 0.00 0.00 43.02 39.92 1nzk s PHE 22 CO 0.15 0.29 1.42 -0.11 -0.10 0.00 0.00 175.22 176.87 1nzk n LEU 23 N 3.39 4.14 -3.81 -0.37 7.94 -0.29 -1.37 117.00 126.63 1nzk n LEU 23 Ca -0.13 1.20 -0.13 0.00 -1.11 0.00 0.00 56.01 55.85 1nzk n LEU 23 Cb 0.52 -1.55 -0.13 0.00 0.53 0.00 0.00 43.42 42.79 1nzk n LEU 23 CO 0.39 -0.13 -0.21 -0.60 -1.11 0.00 0.00 177.39 175.73 1nzk s ARG 24 N -1.68 0.16 -0.22 1.96 3.52 0.06 -4.38 118.95 118.36 1nzk s ARG 24 Ca 0.57 0.22 0.02 0.00 -0.13 0.00 0.00 55.73 56.40 1nzk s ARG 24 Cb -0.53 0.05 0.04 0.00 -1.56 0.00 0.00 34.95 32.96 1nzk s ARG 24 CO 0.60 -0.04 -0.15 0.42 -0.81 0.00 0.00 175.30 175.33 1nzk s ILE 25 N 0.20 2.09 0.54 4.11 1.01 -1.05 -1.63 121.20 126.48 1nzk s ILE 25 Ca -0.01 -1.31 -0.15 0.00 0.00 0.00 0.00 60.65 59.18 1nzk s ILE 25 Cb -0.02 -2.07 -0.07 0.00 0.01 0.00 0.00 42.46 40.32 1nzk s ILE 25 CO -0.01 0.22 1.00 -0.76 0.00 0.00 0.00 174.94 175.40 1nzk s LEU 26 N 1.20 3.53 0.50 2.97 1.43 0.11 -4.84 118.68 123.58 1nzk s LEU 26 Ca -0.03 1.57 0.33 0.00 -1.03 0.00 0.00 54.13 54.97 1nzk s LEU 26 Cb -0.17 -4.50 1.45 0.00 0.03 0.00 0.00 46.19 43.00 1nzk s LEU 26 CO -0.09 -0.71 1.76 -0.65 0.23 0.00 0.00 176.35 176.90 1nzk h PRO 27 N 0.62 0.10 -0.23 1.29 0.11 -1.99 0.45 132.00 132.35 1nzk h PRO 27 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1nzk h PRO 27 Cb 1.19 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1nzk h PRO 27 CO 0.61 0.06 0.00 -0.40 -0.21 0.00 0.00 178.00 178.07 1nzk n ASP 28 N -4.31 1.02 0.00 -2.05 5.68 -1.26 -4.85 116.55 110.77 1nzk n ASP 28 Ca 0.28 -2.02 0.00 0.00 -0.50 0.00 0.00 54.79 52.55 1nzk n ASP 28 Cb 1.24 -0.15 0.00 0.00 -1.14 0.00 0.00 41.12 41.07 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 0.73 0.58 3.72 6.12 0.00 0.16 -4.95 105.19 111.54 1nzk n GLY 29 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.04 4.58 -0.12 2.61 2.01 -1.22 -1.68 115.64 119.79 1nzk s THR 30 Ca 0.00 1.97 -0.01 0.00 0.31 0.00 0.00 61.69 63.96 1nzk s THR 30 Cb 0.00 -4.26 -0.02 0.00 0.01 0.00 0.00 72.50 68.23 1nzk s THR 30 CO 0.00 0.22 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.38 1nzk s VAL 31 N 0.58 3.53 0.00 3.82 1.01 -1.26 0.04 120.40 128.12 1nzk s VAL 31 Ca 0.51 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 61.98 1nzk s VAL 31 Cb -0.23 -2.49 0.00 0.00 0.00 0.00 0.00 36.38 33.66 1nzk s VAL 31 CO 0.29 0.54 0.00 -0.90 0.00 0.00 0.00 175.10 175.03 1nzk n ASP 32 N 3.10 0.00 -4.25 3.32 5.75 -0.64 -4.50 116.55 119.32 1nzk n ASP 32 Ca -0.18 -0.90 -0.28 0.00 -0.01 0.00 0.00 54.79 53.42 1nzk n ASP 32 Cb 0.53 0.00 -0.16 0.00 -1.03 0.00 0.00 41.12 40.46 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 -0.90 1.11 0.03 6.12 0.00 0.15 -0.76 107.32 113.08 1nzk s GLY 33 Ca 0.00 -0.99 0.03 0.00 0.00 0.00 0.00 44.72 43.76 1nzk s GLY 33 CO 0.00 -0.83 -0.09 -1.08 0.00 0.00 0.00 173.10 171.10 1nzk s THR 34 N -0.56 0.67 -1.44 0.90 -1.32 -0.47 -4.75 115.64 108.66 1nzk s THR 34 Ca 0.09 -0.86 0.24 0.00 -1.21 0.00 0.00 61.69 59.95 1nzk s THR 34 Cb -0.09 -0.66 0.05 0.00 -1.51 0.00 0.00 72.50 70.30 1nzk s THR 34 CO -0.01 -0.16 1.32 0.54 -2.21 0.00 0.00 174.62 174.10 1nzk n ARG 35 N 1.91 0.50 -2.35 7.08 1.74 -1.26 0.45 116.66 124.73 1nzk n ARG 35 Ca -0.19 -0.34 -0.39 0.00 -0.77 0.00 0.00 57.85 56.15 1nzk n ARG 35 Cb 0.55 -1.49 -0.03 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 -2.74 5.84 0.00 0.55 2.15 -1.26 -4.82 116.67 116.38 1nzk s ASP 36 Ca 0.16 -0.35 0.04 0.00 0.43 0.00 0.00 52.55 52.83 1nzk s ASP 36 Cb 0.18 -2.55 0.18 0.00 -0.30 0.00 0.00 42.92 40.43 1nzk s ASP 36 CO 0.65 -2.04 1.06 -1.14 -0.17 0.00 0.00 175.17 173.52 1nzk n ARG 37 N 9.21 0.02 -0.35 4.34 0.63 -1.26 -1.63 116.66 127.62 1nzk n ARG 37 Ca 0.16 0.36 0.12 0.00 -0.92 0.00 0.00 57.85 57.56 1nzk n ARG 37 Cb 0.50 -1.50 0.31 0.00 0.45 0.00 0.00 32.46 32.22 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 -1.41 3.86 -4.76 6.15 3.41 -1.26 -4.97 113.62 114.64 1nzk n SER 38 Ca 0.01 -2.00 -0.38 0.00 -0.26 0.00 0.00 58.87 56.25 1nzk n SER 38 Cb 0.04 -0.46 0.01 0.00 -0.26 0.00 0.00 64.21 63.54 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 -1.05 5.78 0.00 4.04 2.15 -0.65 -4.92 116.67 122.02 1nzk s ASP 39 Ca 0.48 2.53 0.20 0.00 0.43 0.00 0.00 52.55 56.19 1nzk s ASP 39 Cb 0.25 -2.62 0.57 0.00 -0.30 0.00 0.00 42.92 40.83 1nzk s ASP 39 CO 0.33 -1.20 1.46 0.00 -0.17 0.00 0.00 175.17 175.59 1nzk n GLN 40 N -0.69 2.06 -0.14 4.34 1.13 -1.26 -4.11 117.38 118.70 1nzk n GLN 40 Ca 0.08 -1.61 0.09 0.00 -1.94 0.00 0.00 57.00 53.63 1nzk n GLN 40 Cb 0.46 -1.43 0.14 0.00 0.11 0.00 0.00 30.24 29.53 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 0.82 0.00 0.15 1.08 8.25 -1.26 -4.62 115.22 119.64 1nzk n HIS 41 Ca 0.17 -1.03 0.07 0.00 -0.26 0.00 0.00 57.72 56.67 1nzk n HIS 41 Cb 0.43 -0.16 0.13 0.00 1.12 0.00 0.00 29.99 31.51 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 -1.36 0.53 -3.53 1.59 -5.35 -1.26 -2.52 119.36 107.46 1nzk n ILE 42 Ca 0.16 -0.77 -0.37 0.00 -0.27 0.00 0.00 62.75 61.50 1nzk n ILE 42 Cb 0.65 0.87 -0.08 0.00 -1.74 0.00 0.00 39.64 39.33 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 -1.07 4.13 0.16 6.28 1.11 -1.26 -4.31 119.66 124.70 1nzk s GLN 43 Ca 0.23 -0.04 0.09 0.00 0.01 0.00 0.00 55.36 55.65 1nzk s GLN 43 Cb 0.13 -3.53 -0.04 0.00 -1.01 0.00 0.00 33.01 28.56 1nzk s GLN 43 CO 0.18 0.03 -0.21 -0.06 0.01 0.00 0.00 175.29 175.25 1nzk s PHE 44 N 1.13 1.95 -0.25 0.91 0.40 -0.07 -1.85 117.98 120.19 1nzk s PHE 44 Ca 0.13 -0.43 -0.03 0.00 -0.60 0.00 0.00 56.93 56.00 1nzk s PHE 44 Cb -0.14 -1.00 0.02 0.00 0.51 0.00 0.00 43.02 42.41 1nzk s PHE 44 CO 0.06 0.34 -0.03 -1.14 0.70 0.00 0.00 175.22 175.15 1nzk s GLN 45 N -2.54 2.98 0.05 0.44 2.00 0.19 -0.39 119.66 122.40 1nzk s GLN 45 Ca 0.15 -0.89 -0.04 0.00 -2.00 0.00 0.00 55.36 52.58 1nzk s GLN 45 Cb -0.07 -3.06 -0.05 0.00 0.80 0.00 0.00 33.01 30.63 1nzk s GLN 45 CO 0.07 -0.37 0.27 -0.51 -0.50 0.00 0.00 175.29 174.25 1nzk s LEU 46 N 1.39 4.34 -0.03 3.68 1.02 -1.26 -1.33 118.68 126.49 1nzk s LEU 46 Ca 0.02 0.48 -0.07 0.00 0.02 0.00 0.00 54.13 54.57 1nzk s LEU 46 Cb -0.16 -2.89 0.01 0.00 0.02 0.00 0.00 46.19 43.16 1nzk s LEU 46 CO -0.03 0.18 0.17 -0.94 0.02 0.00 0.00 176.35 175.75 1nzk s SER 47 N -2.10 -0.08 -0.17 2.29 1.04 -0.99 -4.39 113.70 109.30 1nzk s SER 47 Ca 0.33 0.06 -0.20 0.00 0.48 0.00 0.00 55.95 56.61 1nzk s SER 47 Cb -0.13 0.29 -0.03 0.00 0.10 0.00 0.00 66.02 66.25 1nzk s SER 47 CO 0.21 -0.24 0.59 0.00 0.98 0.00 0.00 173.24 174.78 1nzk s ALA 48 N -0.74 3.51 -0.12 5.32 0.00 -1.26 -1.92 121.76 126.56 1nzk s ALA 48 Ca -0.08 -0.25 0.04 0.00 0.00 0.00 0.00 51.96 51.67 1nzk s ALA 48 Cb -0.05 -2.88 -0.24 0.00 0.00 0.00 0.00 23.12 19.95 1nzk s ALA 48 CO 0.01 -0.40 0.37 0.39 0.00 0.00 0.00 175.76 176.13 1nzk n GLU 49 N 4.66 0.69 -3.75 0.00 -0.58 0.12 -4.96 120.64 116.82 1nzk n GLU 49 Ca -0.03 0.23 -0.10 0.00 -0.42 0.00 0.00 57.16 56.84 1nzk n GLU 49 Cb 0.50 -1.69 -0.06 0.00 -0.57 0.00 0.00 31.44 29.62 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 -6.45 -0.08 0.08 1.62 0.01 -1.22 -5.01 113.70 102.66 1nzk s SER 50 Ca -0.16 -0.50 -0.32 0.00 1.31 0.00 0.00 55.95 56.28 1nzk s SER 50 Cb 0.07 0.42 -0.11 0.00 0.21 0.00 0.00 66.02 66.62 1nzk s SER 50 CO 0.78 -0.82 1.86 0.52 0.41 0.00 0.00 173.24 175.98 1nzk n VAL 51 N -0.17 0.46 0.00 3.43 0.31 -1.26 -0.75 118.33 120.36 1nzk n VAL 51 Ca -0.15 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 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 4.27 2.18 3.57 2.92 0.00 -1.26 -5.01 105.19 111.87 1nzk n GLY 52 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.34 3.86 0.17 1.61 2.02 0.08 -0.61 118.70 125.50 1nzk s GLU 53 Ca 0.00 -0.40 0.02 0.00 0.02 0.00 0.00 54.97 54.62 1nzk s GLU 53 Cb 0.00 -3.21 -0.05 0.00 0.10 0.00 0.00 34.13 30.98 1nzk s GLU 53 CO 0.00 0.16 -0.02 0.14 0.02 0.00 0.00 175.26 175.56 1nzk s VAL 54 N 0.66 0.80 0.05 2.63 -7.23 -0.13 -0.70 120.40 116.48 1nzk s VAL 54 Ca 0.03 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.26 1nzk s VAL 54 Cb -0.13 -2.08 -0.04 0.00 0.56 0.00 0.00 36.38 34.69 1nzk s VAL 54 CO 0.02 -0.52 -0.12 -0.31 -0.31 0.00 0.00 175.10 173.86 1nzk s TYR 55 N -3.57 2.72 -0.31 2.82 2.02 -0.81 -1.60 117.35 118.62 1nzk s TYR 55 Ca 0.23 -0.16 0.02 0.00 -0.37 0.00 0.00 57.07 56.79 1nzk s TYR 55 Cb 0.05 -1.50 0.09 0.00 -0.40 0.00 0.00 41.96 40.21 1nzk s TYR 55 CO 0.04 0.35 0.05 0.42 -1.57 0.00 0.00 175.55 174.83 1nzk s ILE 56 N -1.04 1.64 -0.12 2.71 1.01 -1.26 -2.34 121.20 121.79 1nzk s ILE 56 Ca 0.18 -1.81 -0.02 0.00 0.00 0.00 0.00 60.65 58.99 1nzk s ILE 56 Cb -0.11 -2.17 -0.03 0.00 0.01 0.00 0.00 42.46 40.17 1nzk s ILE 56 CO 0.09 -0.54 -0.04 -0.75 0.00 0.00 0.00 174.94 173.69 1nzk s LYS 57 N 1.24 3.35 -0.01 2.79 2.20 -0.44 -0.54 119.74 128.33 1nzk s LYS 57 Ca 0.08 -0.51 -0.30 0.00 -0.36 0.00 0.00 55.97 54.87 1nzk s LYS 57 Cb -0.18 -2.81 -0.05 0.00 -1.51 0.00 0.00 37.83 33.27 1nzk s LYS 57 CO -0.14 0.41 1.42 0.45 -0.36 0.00 0.00 175.35 177.13 1nzk s SER 58 N -0.10 6.83 0.26 1.43 0.15 0.13 0.57 113.70 122.97 1nzk s SER 58 Ca 0.02 2.11 0.07 0.00 0.70 0.00 0.00 55.95 58.86 1nzk s SER 58 Cb -0.13 -2.56 0.32 0.00 -1.71 0.00 0.00 66.02 61.95 1nzk s SER 58 CO 0.03 -0.74 1.60 0.71 1.20 0.00 0.00 173.24 176.03 1nzk h THR 59 N 4.99 1.40 0.03 6.45 1.35 -1.70 1.01 112.91 126.43 1nzk h THR 59 Ca -0.38 -1.98 -0.00 0.00 -0.55 0.00 0.00 66.41 63.50 1nzk h THR 59 Cb 1.18 2.03 0.00 0.00 -1.73 0.00 0.00 68.15 69.62 1nzk h THR 59 CO 0.91 0.58 -0.01 -0.08 -0.25 0.00 0.00 175.52 176.66 1nzk h GLU 60 N 0.10 -0.04 0.00 4.72 4.57 -1.82 -3.37 114.58 118.74 1nzk h GLU 60 Ca -0.00 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.10 1nzk h GLU 60 Cb 1.07 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.65 1nzk h GLU 60 CO 0.08 0.49 -2.03 0.25 -1.18 0.00 0.00 179.01 176.62 1nzk n THR 61 N -4.85 0.27 -0.58 0.32 -2.24 -1.23 -4.98 114.28 100.99 1nzk n THR 61 Ca -0.09 -0.55 0.00 0.00 -2.27 0.00 0.00 64.05 61.15 1nzk n THR 61 Cb 0.27 -0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.42 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 1.42 1.15 3.77 3.38 0.00 0.35 -5.00 105.19 110.27 1nzk n GLY 62 Ca -0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.27 3.97 -0.16 1.61 -0.21 -1.25 -4.59 119.66 118.77 1nzk s GLN 63 Ca 0.00 1.72 -0.09 0.00 0.02 0.00 0.00 55.36 57.01 1nzk s GLN 63 Cb 0.00 -2.54 -0.05 0.00 1.00 0.00 0.00 33.01 31.43 1nzk s GLN 63 CO 0.00 -0.36 0.15 0.71 -2.12 0.00 0.00 175.29 173.67 1nzk s TYR 64 N -1.53 3.49 0.24 0.91 1.51 0.36 0.19 117.35 122.53 1nzk s TYR 64 Ca 0.60 0.43 -0.30 0.00 -1.01 0.00 0.00 57.07 56.79 1nzk s TYR 64 Cb -0.27 -2.09 -0.10 0.00 -0.11 0.00 0.00 41.96 39.38 1nzk s TYR 64 CO 0.34 0.46 1.43 -1.17 -1.11 0.00 0.00 175.55 175.50 1nzk s LEU 65 N -0.17 4.39 0.12 -1.29 2.96 0.30 0.48 118.68 125.46 1nzk s LEU 65 Ca 0.11 2.64 -0.07 0.00 -0.22 0.00 0.00 54.13 56.60 1nzk s LEU 65 Cb -0.12 -3.62 -0.02 0.00 0.50 0.00 0.00 46.19 42.94 1nzk s LEU 65 CO 0.01 -0.68 0.18 0.00 -1.32 0.00 0.00 176.35 174.54 1nzk s ALA 66 N 0.02 0.15 -0.10 5.97 0.00 0.59 -4.38 121.76 124.00 1nzk s ALA 66 Ca 0.59 -0.95 -0.01 0.00 0.00 0.00 0.00 51.96 51.59 1nzk s ALA 66 Cb -0.41 0.69 0.03 0.00 0.00 0.00 0.00 23.12 23.43 1nzk s ALA 66 CO 0.43 -0.55 -0.05 1.41 0.00 0.00 0.00 175.76 177.00 1nzk s MET 67 N -3.95 1.21 1.06 0.00 1.75 -0.50 -0.67 119.30 118.21 1nzk s MET 67 Ca 0.14 -0.15 -0.17 0.00 -1.25 0.00 0.00 55.69 54.26 1nzk s MET 67 Cb 0.05 -1.42 0.23 0.00 2.84 0.00 0.00 34.83 36.53 1nzk s MET 67 CO -0.04 -0.29 1.21 0.16 -0.65 0.00 0.00 175.02 175.41 1nzk s ASP 68 N 1.79 2.19 0.57 1.11 1.47 -0.04 -4.73 116.67 119.03 1nzk s ASP 68 Ca 0.05 0.50 0.28 0.00 1.18 0.00 0.00 52.55 54.55 1nzk s ASP 68 Cb -0.13 -0.69 1.69 0.00 -0.34 0.00 0.00 42.92 43.46 1nzk s ASP 68 CO -0.07 -3.33 2.21 0.00 0.68 0.00 0.00 175.17 174.66 1nzk h THR 69 N -2.04 0.59 -0.38 2.11 1.03 -2.01 -0.31 112.91 111.90 1nzk h THR 69 Ca -0.45 -0.11 0.00 0.00 -0.01 0.00 0.00 66.41 65.84 1nzk h THR 69 Cb 1.27 1.07 0.00 0.00 -1.07 0.00 0.00 68.15 69.42 1nzk h THR 69 CO 0.39 0.03 0.00 0.47 -0.01 0.00 0.00 175.52 176.39 1nzk n ASP 70 N -3.89 2.83 0.00 0.00 8.00 -1.26 -4.92 116.55 117.30 1nzk n ASP 70 Ca -0.03 -1.92 0.00 0.00 0.71 0.00 0.00 54.79 53.55 1nzk n ASP 70 Cb 0.11 -0.25 0.00 0.00 -0.02 0.00 0.00 41.12 40.96 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 1.37 0.75 3.73 0.44 0.00 -0.12 -4.69 105.19 106.66 1nzk n GLY 71 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 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 4.36 0.01 0.99 1.43 -1.26 -0.47 118.68 123.74 1nzk s LEU 72 Ca 0.00 1.20 -0.25 0.00 -1.03 0.00 0.00 54.13 54.05 1nzk s LEU 72 Cb 0.00 -3.04 -0.05 0.00 0.03 0.00 0.00 46.19 43.13 1nzk s LEU 72 CO 0.00 -0.03 0.79 -0.69 0.23 0.00 0.00 176.35 176.65 1nzk s VAL 73 N 0.37 4.84 0.25 -1.59 1.01 -1.26 -0.86 120.40 123.16 1nzk s VAL 73 Ca 0.35 1.66 -0.05 0.00 0.00 0.00 0.00 61.98 63.94 1nzk s VAL 73 Cb -0.18 -4.13 -0.02 0.00 0.00 0.00 0.00 36.38 32.05 1nzk s VAL 73 CO 0.18 0.29 0.33 -0.72 0.00 0.00 0.00 175.10 175.19 1nzk s TYR 74 N 0.39 0.89 -0.26 5.22 1.13 0.16 -4.47 117.35 120.41 1nzk s TYR 74 Ca 0.41 -1.14 -0.12 0.00 -1.41 0.00 0.00 57.07 54.80 1nzk s TYR 74 Cb -0.20 -0.21 -0.05 0.00 -1.10 0.00 0.00 41.96 40.41 1nzk s TYR 74 CO 0.23 -0.88 0.24 0.20 -2.51 0.00 0.00 175.55 172.82 1nzk s GLY 75 N -3.14 1.95 -0.17 5.49 0.00 -0.68 -0.30 107.32 110.47 1nzk s GLY 75 Ca 0.31 -0.93 -0.09 0.00 0.00 0.00 0.00 44.72 44.01 1nzk s GLY 75 CO 0.14 0.66 0.15 -0.45 0.00 0.00 0.00 173.10 173.59 1nzk s SER 76 N 1.47 6.29 0.29 1.64 0.15 0.18 -4.71 113.70 119.01 1nzk s SER 76 Ca 0.10 0.33 0.02 0.00 0.70 0.00 0.00 55.95 57.10 1nzk s SER 76 Cb -0.15 -2.09 0.44 0.00 -1.71 0.00 0.00 66.02 62.50 1nzk s SER 76 CO 0.09 0.25 1.77 0.06 1.20 0.00 0.00 173.24 176.61 1nzk h GLN 77 N 6.09 0.57 -6.30 5.44 -0.00 -1.92 0.11 115.11 119.09 1nzk h GLN 77 Ca -0.46 -0.18 -0.59 0.00 -0.00 0.00 0.00 58.65 57.42 1nzk h GLN 77 Cb 1.18 -0.06 -0.19 0.00 -0.00 0.00 0.00 27.48 28.41 1nzk h GLN 77 CO 0.70 0.69 -0.81 0.95 -0.00 0.00 0.00 178.83 180.36 1nzk s THR 78 N -4.73 2.07 0.17 1.86 -4.23 -1.26 -4.76 115.64 104.76 1nzk s THR 78 Ca -0.08 -1.92 -0.30 0.00 -1.18 0.00 0.00 61.69 58.21 1nzk s THR 78 Cb 0.14 -1.95 -0.07 0.00 1.34 0.00 0.00 72.50 71.96 1nzk s THR 78 CO 0.79 -0.18 1.04 -2.16 -0.54 0.00 0.00 174.62 173.57 1nzk s PRO 79 N -2.62 4.66 0.26 3.99 0.04 -1.26 -4.88 135.00 135.20 1nzk s PRO 79 Ca 0.17 1.62 -0.02 0.00 0.04 0.00 0.00 61.00 62.80 1nzk s PRO 79 Cb -0.07 -3.30 0.01 0.00 0.04 0.00 0.00 34.50 31.18 1nzk s PRO 79 CO 0.08 0.19 0.38 0.27 0.04 0.00 0.00 177.00 177.95 1nzk n ASN 80 N 2.29 -1.06 0.19 6.66 0.23 -1.26 -5.02 115.26 117.28 1nzk n ASN 80 Ca 0.02 -2.38 0.15 0.00 -0.53 0.00 0.00 54.58 51.84 1nzk n ASN 80 Cb 0.47 1.96 0.76 0.00 -2.08 0.00 0.00 39.78 40.89 1nzk n ASN 80 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 1nzk h GLU 81 N 0.00 0.00 0.00 -3.83 -0.00 -1.98 0.39 114.58 109.15 1nzk h GLU 81 Ca -0.20 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.16 1nzk h GLU 81 Cb 0.88 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.63 1nzk h GLU 81 CO 0.28 0.00 0.00 0.39 -0.00 0.00 0.00 179.01 179.68 1nzk n GLU 82 N -4.13 0.03 0.01 1.06 1.02 -1.26 -3.35 120.64 114.01 1nzk n GLU 82 Ca 0.01 0.11 0.12 0.00 -0.02 0.00 0.00 57.16 57.38 1nzk n GLU 82 Cb 0.28 -1.53 0.16 0.00 -0.02 0.00 0.00 31.44 30.33 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 -3.21 4.34 0.02 0.00 1.43 -1.21 -4.49 118.68 115.54 1nzk s LEU 84 Ca 0.09 1.33 0.06 0.00 -1.03 0.00 0.00 54.13 54.58 1nzk s LEU 84 Cb 0.17 -3.22 -0.02 0.00 0.03 0.00 0.00 46.19 43.14 1nzk s LEU 84 CO 0.74 -0.15 -0.18 -0.36 0.23 0.00 0.00 176.35 176.63 1nzk s PHE 85 N 0.82 1.60 -0.45 0.29 0.40 -0.62 -1.19 117.98 118.83 1nzk s PHE 85 Ca 0.42 -0.33 -0.23 0.00 -0.60 0.00 0.00 56.93 56.19 1nzk s PHE 85 Cb -0.19 -0.98 0.03 0.00 0.51 0.00 0.00 43.02 42.38 1nzk s PHE 85 CO 0.21 0.03 0.76 -0.51 0.70 0.00 0.00 175.22 176.40 1nzk s LEU 86 N -0.82 4.32 -0.37 -0.37 1.43 0.23 -0.96 118.68 122.13 1nzk s LEU 86 Ca 0.06 -0.19 -0.25 0.00 -1.03 0.00 0.00 54.13 52.73 1nzk s LEU 86 Cb -0.08 -2.90 0.01 0.00 0.03 0.00 0.00 46.19 43.26 1nzk s LEU 86 CO 0.01 -0.90 0.87 -0.70 0.23 0.00 0.00 176.35 175.86 1nzk s GLU 87 N 3.19 3.78 0.13 1.70 2.12 0.22 -1.53 118.70 128.31 1nzk s GLU 87 Ca 0.28 0.44 0.06 0.00 0.36 0.00 0.00 54.97 56.10 1nzk s GLU 87 Cb -0.13 -3.81 -0.04 0.00 0.26 0.00 0.00 34.13 30.41 1nzk s GLU 87 CO 0.22 -0.93 -0.13 1.03 -0.54 0.00 0.00 175.26 174.90 1nzk s ARG 88 N 3.34 1.03 0.30 4.30 1.81 -0.30 -4.72 118.95 124.70 1nzk s ARG 88 Ca 0.35 -1.27 -0.26 0.00 -1.72 0.00 0.00 55.73 52.84 1nzk s ARG 88 Cb -0.12 -0.86 -0.10 0.00 -0.45 0.00 0.00 34.95 33.42 1nzk s ARG 88 CO 0.18 0.16 0.91 -1.17 -0.68 0.00 0.00 175.30 174.71 1nzk s LEU 89 N -2.55 4.38 0.00 2.53 2.96 -0.46 0.56 118.68 126.10 1nzk s LEU 89 Ca 0.10 1.80 0.00 0.00 -0.22 0.00 0.00 54.13 55.81 1nzk s LEU 89 Cb -0.04 -3.90 -0.00 0.00 0.50 0.00 0.00 46.19 42.75 1nzk s LEU 89 CO 0.03 -0.02 -0.01 -0.70 -1.32 0.00 0.00 176.35 174.32 1nzk s GLU 90 N -1.92 0.12 -1.07 1.98 2.56 0.28 -4.81 118.70 115.84 1nzk s GLU 90 Ca 0.48 -0.08 -0.00 0.00 0.00 0.00 0.00 54.97 55.36 1nzk s GLU 90 Cb -0.19 -0.10 0.00 0.00 2.00 0.00 0.00 34.13 35.84 1nzk s GLU 90 CO 0.24 0.03 0.01 0.39 -0.56 0.00 0.00 175.26 175.37 1nzk n GLU 91 N 2.96 -2.24 0.00 4.30 1.02 -1.26 -1.14 120.64 124.28 1nzk n GLU 91 Ca -0.13 0.60 0.00 0.00 -0.02 0.00 0.00 57.16 57.62 1nzk n GLU 91 Cb 0.59 -5.21 0.00 0.00 -0.02 0.00 0.00 31.44 26.81 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 -1.82 0.00 0.00 1.62 4.13 -1.26 -4.58 115.26 113.35 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 0.61 -0.61 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 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 -1.90 0.00 -2.92 3.10 8.25 -0.74 -5.11 115.22 115.90 1nzk n HIS 93 Ca 0.00 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.28 1nzk n HIS 93 Cb 0.00 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.13 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 -0.27 2.65 -0.08 4.41 2.02 -0.29 -4.90 117.35 120.89 1nzk s TYR 94 Ca 0.00 -0.35 0.00 0.00 -0.37 0.00 0.00 57.07 56.36 1nzk s TYR 94 Cb 0.00 -2.46 -0.03 0.00 -0.40 0.00 0.00 41.96 39.07 1nzk s TYR 94 CO 0.00 -0.62 -0.07 -0.80 -1.57 0.00 0.00 175.55 172.48 1nzk s ASN 95 N -4.41 4.61 0.14 2.29 -0.87 0.78 -0.56 114.94 116.94 1nzk s ASN 95 Ca 0.56 -0.06 0.10 0.00 -1.57 0.00 0.00 52.86 51.90 1nzk s ASN 95 Cb -0.10 -1.26 -0.04 0.00 -0.02 0.00 0.00 41.25 39.84 1nzk s ASN 95 CO 0.35 0.33 -0.23 0.42 -2.57 0.00 0.00 177.10 175.40 1nzk s THR 96 N -0.60 2.06 -0.26 1.60 -4.23 0.19 -1.44 115.64 112.95 1nzk s THR 96 Ca 0.09 -1.79 0.01 0.00 -1.18 0.00 0.00 61.69 58.82 1nzk s THR 96 Cb -0.12 -1.88 0.07 0.00 1.34 0.00 0.00 72.50 71.91 1nzk s THR 96 CO 0.02 -0.07 -0.03 -0.31 -0.54 0.00 0.00 174.62 173.69 1nzk s TYR 97 N -1.39 2.66 -0.16 3.99 2.02 -1.26 -1.15 117.35 122.06 1nzk s TYR 97 Ca 0.14 -2.03 -0.10 0.00 -0.37 0.00 0.00 57.07 54.71 1nzk s TYR 97 Cb -0.09 -1.85 -0.05 0.00 -0.40 0.00 0.00 41.96 39.57 1nzk s TYR 97 CO 0.07 -0.83 0.18 0.42 -1.57 0.00 0.00 175.55 173.82 1nzk s ILE 98 N 1.30 5.39 0.01 2.71 1.01 -0.58 -0.81 121.20 130.23 1nzk s ILE 98 Ca -0.02 0.31 -0.30 0.00 0.00 0.00 0.00 60.65 60.64 1nzk s ILE 98 Cb -0.19 -3.50 -0.08 0.00 0.01 0.00 0.00 42.46 38.70 1nzk s ILE 98 CO -0.08 0.48 1.80 -0.55 0.00 0.00 0.00 174.94 176.59 1nzk s SER 99 N -0.07 6.55 0.08 3.58 0.15 -0.24 0.77 113.70 124.52 1nzk s SER 99 Ca 0.13 2.49 -0.22 0.00 0.70 0.00 0.00 55.95 59.04 1nzk s SER 99 Cb -0.12 -2.54 -0.14 0.00 -1.71 0.00 0.00 66.02 61.52 1nzk s SER 99 CO 0.02 -0.98 1.64 0.50 1.20 0.00 0.00 173.24 175.62 1nzk h LYS 100 N 9.73 0.10 -0.86 5.44 3.64 -1.47 0.16 116.57 133.31 1nzk h LYS 100 Ca -0.45 -0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.03 1nzk h LYS 100 Cb 1.21 -0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.95 1nzk h LYS 100 CO 0.94 0.18 0.56 -0.22 -2.27 0.00 0.00 179.45 178.65 1nzk h LYS 101 N -0.01 0.77 -0.43 1.90 3.64 -1.76 -2.15 116.57 118.53 1nzk h LYS 101 Ca 0.02 -0.05 -0.13 0.00 -1.27 0.00 0.00 60.65 59.23 1nzk h LYS 101 Cb 0.12 -0.17 -0.07 0.00 -0.41 0.00 0.00 32.23 31.69 1nzk h LYS 101 CO -0.00 0.51 0.07 0.72 -2.27 0.00 0.00 179.45 178.47 1nzk n HIS 102 N -4.53 1.42 -0.30 1.91 8.25 -1.08 -4.73 115.22 116.15 1nzk n HIS 102 Ca 0.15 -1.21 0.15 0.00 -0.26 0.00 0.00 57.72 56.55 1nzk n HIS 102 Cb 0.35 -0.48 0.40 0.00 1.12 0.00 0.00 29.99 31.38 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 1.72 1.91 0.00 -1.41 0.00 0.02 0.25 119.26 121.74 1nzk h ALA 103 Ca 0.15 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1nzk h ALA 103 Cb 1.77 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.49 1nzk h ALA 103 CO 0.43 -0.23 -0.05 1.05 0.00 0.00 0.00 179.25 180.45 1nzk h GLU 104 N 0.62 0.00 -0.07 0.00 9.09 -1.85 -2.23 114.58 120.15 1nzk h GLU 104 Ca 0.52 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.93 1nzk h GLU 104 Cb 0.99 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.09 1nzk h GLU 104 CO -0.28 0.05 0.00 1.63 0.05 0.00 0.00 179.01 180.47 1nzk n LYS 105 N -3.24 2.00 -3.59 1.06 5.02 0.07 -4.96 118.16 114.51 1nzk n LYS 105 Ca -0.01 -1.46 -0.20 0.00 -2.02 0.00 0.00 58.31 54.62 1nzk n LYS 105 Cb 0.26 -1.47 0.05 0.00 -0.02 0.00 0.00 35.03 33.85 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 0.75 -2.10 -4.65 4.39 5.03 -0.84 -4.96 115.26 112.88 1nzk n ASN 106 Ca 0.17 -0.77 -0.39 0.00 0.87 0.00 0.00 54.58 54.45 1nzk n ASN 106 Cb 0.47 -4.39 -0.07 0.00 -1.02 0.00 0.00 39.78 34.77 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 -3.55 3.35 0.43 3.10 0.52 -1.24 -4.48 118.94 117.06 1nzk s TRP 107 Ca 0.07 0.75 0.06 0.00 0.02 0.00 0.00 56.10 57.00 1nzk s TRP 107 Cb -0.02 -2.69 -0.07 0.00 -1.15 0.00 0.00 33.47 29.55 1nzk s TRP 107 CO 0.79 -0.15 0.03 -0.06 0.02 0.00 0.00 176.95 177.58 1nzk s PHE 108 N 1.81 2.41 0.00 -1.98 0.40 -1.26 -1.08 117.98 118.29 1nzk s PHE 108 Ca 0.24 -0.71 -0.21 0.00 -0.60 0.00 0.00 56.93 55.64 1nzk s PHE 108 Cb -0.15 -1.77 -0.05 0.00 0.51 0.00 0.00 43.02 41.55 1nzk s PHE 108 CO 0.09 0.38 0.63 -1.17 0.70 0.00 0.00 175.22 175.85 1nzk s LEU 109 N -3.76 4.42 -0.08 -0.37 2.96 0.01 -4.64 118.68 117.21 1nzk s LEU 109 Ca 0.31 1.21 -0.30 0.00 -0.22 0.00 0.00 54.13 55.13 1nzk s LEU 109 Cb 0.08 -2.98 0.10 0.00 0.50 0.00 0.00 46.19 43.89 1nzk s LEU 109 CO 0.16 0.08 0.83 -0.83 -1.32 0.00 0.00 176.35 175.27 1nzk s GLY 110 N -0.13 -0.44 -0.09 7.98 0.00 -1.26 -4.36 107.32 109.03 1nzk s GLY 110 Ca 0.32 1.53 0.02 0.00 0.00 0.00 0.00 44.72 46.60 1nzk s GLY 110 CO 0.18 0.86 -0.15 -0.42 0.00 0.00 0.00 173.10 173.57 1nzk s ILE 111 N -1.56 1.44 1.00 0.90 1.01 -0.84 -0.99 121.20 122.16 1nzk s ILE 111 Ca -0.04 -0.64 -0.12 0.00 0.00 0.00 0.00 60.65 59.85 1nzk s ILE 111 Cb -0.00 -1.30 0.19 0.00 0.01 0.00 0.00 42.46 41.36 1nzk s ILE 111 CO 0.03 0.42 1.08 -0.54 0.00 0.00 0.00 174.94 175.93 1nzk s LYS 112 N 0.74 0.39 0.54 2.79 1.02 0.06 -4.57 119.74 120.71 1nzk s LYS 112 Ca -0.12 0.78 0.27 0.00 0.02 0.00 0.00 55.97 56.92 1nzk s LYS 112 Cb -0.16 -1.71 1.52 0.00 -0.52 0.00 0.00 37.83 36.96 1nzk s LYS 112 CO 0.03 -2.83 2.12 0.87 -0.92 0.00 0.00 175.35 174.62 1nzk h LYS 113 N -1.97 0.00 -0.05 1.68 1.57 -1.88 -2.19 116.57 113.72 1nzk h LYS 113 Ca -0.54 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.24 1nzk h LYS 113 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.62 1nzk h LYS 113 CO 0.53 0.09 0.00 0.27 -0.57 0.00 0.00 179.45 179.77 1nzk n ASN 114 N -3.76 0.76 0.00 0.86 0.23 -1.26 -4.69 115.26 107.40 1nzk n ASN 114 Ca -0.02 -1.44 0.00 0.00 -0.53 0.00 0.00 54.58 52.58 1nzk n ASN 114 Cb 0.19 -0.03 0.00 0.00 -2.08 0.00 0.00 39.78 37.86 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 1.00 0.76 3.81 4.83 0.00 -0.82 -5.01 105.19 109.75 1nzk n GLY 115 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.70 7.10 0.35 1.61 1.04 -1.26 -0.67 113.70 119.17 1nzk s SER 116 Ca 0.00 1.31 -0.25 0.00 0.48 0.00 0.00 55.95 57.49 1nzk s SER 116 Cb 0.00 -2.38 -0.10 0.00 0.10 0.00 0.00 66.02 63.65 1nzk s SER 116 CO 0.00 0.25 0.99 -0.69 0.98 0.00 0.00 173.24 174.77 1nzk s VAL 117 N -1.14 4.00 0.38 5.02 1.01 -1.26 -0.76 120.40 127.65 1nzk s VAL 117 Ca 0.31 1.62 -0.10 0.00 0.00 0.00 0.00 61.98 63.80 1nzk s VAL 117 Cb -0.20 -3.88 -0.07 0.00 0.00 0.00 0.00 36.38 32.24 1nzk s VAL 117 CO 0.20 0.09 0.73 -0.54 0.00 0.00 0.00 175.10 175.58 1nzk s LYS 118 N -2.21 3.79 0.23 2.72 1.02 -0.16 -4.88 119.74 120.25 1nzk s LYS 118 Ca 0.53 0.43 -0.26 0.00 0.02 0.00 0.00 55.97 56.69 1nzk s LYS 118 Cb -0.20 -2.44 -0.09 0.00 -0.52 0.00 0.00 37.83 34.58 1nzk s LYS 118 CO 0.26 0.03 0.85 0.50 -0.92 0.00 0.00 175.35 176.06 1nzk s ARG 119 N -3.68 4.59 0.12 1.68 3.52 -1.26 -4.68 118.95 119.24 1nzk s ARG 119 Ca 0.50 1.23 -0.21 0.00 -0.13 0.00 0.00 55.73 57.13 1nzk s ARG 119 Cb -0.10 -3.08 -0.02 0.00 -1.56 0.00 0.00 34.95 30.19 1nzk s ARG 119 CO 0.29 0.45 1.10 0.41 -0.81 0.00 0.00 175.30 176.74 1nzk n GLY 120 N 1.15 -1.79 0.31 8.12 0.00 0.39 -0.10 105.19 113.28 1nzk n GLY 120 Ca -0.02 0.84 0.21 0.00 0.00 0.00 0.00 46.02 47.05 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 -1.89 -1.82 132.00 130.01 1nzk h PRO 121 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1nzk h PRO 121 Cb 0.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.42 1nzk h PRO 121 CO -0.67 0.00 -0.23 0.54 -0.21 0.00 0.00 178.00 177.43 1nzk n ARG 122 N -3.03 0.07 -3.17 1.05 5.12 0.86 -4.86 116.66 112.70 1nzk n ARG 122 Ca -0.02 0.04 -0.24 0.00 -1.93 0.00 0.00 57.85 55.69 1nzk n ARG 122 Cb 0.12 -1.56 -0.00 0.00 -1.16 0.00 0.00 32.46 29.86 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 -3.03 4.83 -0.18 0.55 -4.23 -0.69 -4.98 115.64 107.91 1nzk s THR 123 Ca 0.12 -0.36 -0.33 0.00 -1.18 0.00 0.00 61.69 59.94 1nzk s THR 123 Cb 0.17 -3.78 0.14 0.00 1.34 0.00 0.00 72.50 70.37 1nzk s THR 123 CO 0.61 -0.56 1.17 -1.38 -0.54 0.00 0.00 174.62 173.92 1nzk s HIS 124 N -2.44 -0.17 0.43 3.99 -3.43 -1.26 -4.80 115.29 107.60 1nzk s HIS 124 Ca 0.43 0.17 -0.25 0.00 -0.80 0.00 0.00 55.06 54.61 1nzk s HIS 124 Cb -0.10 0.50 -0.10 0.00 -1.43 0.00 0.00 32.58 31.46 1nzk s HIS 124 CO 0.38 -0.24 1.22 0.66 -2.00 0.00 0.00 174.74 174.77 1nzk n TYR 125 N 0.10 1.95 0.00 0.38 4.01 -1.26 -2.41 117.16 119.93 1nzk n TYR 125 Ca -0.02 0.51 0.00 0.00 -0.16 0.00 0.00 57.90 58.23 1nzk n TYR 125 Cb 0.59 -2.35 0.00 0.00 -0.31 0.00 0.00 39.34 37.27 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 0.88 2.31 3.84 2.72 0.00 -1.26 -5.06 105.19 108.62 1nzk n GLY 126 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.99 3.80 0.12 1.61 -0.21 -1.01 -4.97 119.66 118.00 1nzk s GLN 127 Ca 0.00 0.95 0.10 0.00 0.02 0.00 0.00 55.36 56.44 1nzk s GLN 127 Cb 0.00 -2.11 -0.15 0.00 1.00 0.00 0.00 33.01 31.75 1nzk s GLN 127 CO 0.00 -0.40 1.17 0.87 -2.12 0.00 0.00 175.29 174.80 1nzk h LYS 128 N 0.63 0.00 -0.00 2.91 1.79 -1.97 -3.33 116.57 116.59 1nzk h LYS 128 Ca -0.46 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.01 1nzk h LYS 128 Cb 1.19 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.84 1nzk h LYS 128 CO 0.61 0.75 0.00 0.00 -1.08 0.00 0.00 179.45 179.73 1nzk h ALA 129 N 1.14 1.52 -0.01 3.86 0.00 -1.94 -2.51 119.26 121.32 1nzk h ALA 129 Ca -0.07 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1nzk h ALA 129 Cb 1.72 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.51 1nzk h ALA 129 CO 0.10 -0.00 -0.14 0.44 0.00 0.00 0.00 179.25 179.64 1nzk n ILE 130 N -3.84 0.00 -3.09 0.00 -5.35 -1.25 -1.99 119.36 103.84 1nzk n ILE 130 Ca -0.03 -0.14 -0.41 0.00 -0.27 0.00 0.00 62.75 61.90 1nzk n ILE 130 Cb 0.08 0.26 -0.06 0.00 -1.74 0.00 0.00 39.64 38.18 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 -2.35 4.11 0.20 7.28 1.43 -0.95 -4.39 118.68 124.02 1nzk s LEU 131 Ca 0.30 0.55 0.11 0.00 -1.03 0.00 0.00 54.13 54.06 1nzk s LEU 131 Cb 0.20 -2.87 -0.04 0.00 0.03 0.00 0.00 46.19 43.51 1nzk s LEU 131 CO 0.46 -0.46 -0.22 -0.36 0.23 0.00 0.00 176.35 176.00 1nzk s PHE 132 N 2.62 2.16 -0.19 0.29 0.40 -0.52 -1.93 117.98 120.81 1nzk s PHE 132 Ca 0.27 -0.39 0.01 0.00 -0.60 0.00 0.00 56.93 56.22 1nzk s PHE 132 Cb -0.15 -1.04 0.03 0.00 0.51 0.00 0.00 43.02 42.36 1nzk s PHE 132 CO 0.11 0.49 -0.17 -1.17 0.70 0.00 0.00 175.22 175.18 1nzk s LEU 133 N -2.84 2.31 -0.30 -0.37 2.96 -0.14 -0.15 118.68 120.15 1nzk s LEU 133 Ca 0.21 -0.77 -0.28 0.00 -0.22 0.00 0.00 54.13 53.07 1nzk s LEU 133 Cb -0.07 -1.45 0.01 0.00 0.50 0.00 0.00 46.19 45.19 1nzk s LEU 133 CO 0.10 -0.05 1.02 -2.16 -1.32 0.00 0.00 176.35 173.95 1nzk s PRO 134 N 1.28 4.08 0.15 0.98 0.04 -1.26 -2.16 135.00 138.11 1nzk s PRO 134 Ca 0.02 1.04 0.04 0.00 0.04 0.00 0.00 61.00 62.15 1nzk s PRO 134 Cb -0.14 -3.72 -0.04 0.00 0.04 0.00 0.00 34.50 30.64 1nzk s PRO 134 CO -0.11 -0.82 0.14 -0.51 0.04 0.00 0.00 177.00 175.74 1nzk s LEU 135 N 3.46 3.86 0.49 -3.56 1.43 0.44 -4.88 118.68 119.93 1nzk s LEU 135 Ca 0.43 -0.08 -0.23 0.00 -1.03 0.00 0.00 54.13 53.22 1nzk s LEU 135 Cb -0.13 -2.47 -0.06 0.00 0.03 0.00 0.00 46.19 43.55 1nzk s LEU 135 CO 0.13 0.08 1.29 -2.16 0.23 0.00 0.00 176.35 175.93 1nzk s PRO 136 N -3.01 3.50 0.00 1.29 0.05 -1.26 0.02 135.00 135.59 1nzk s PRO 136 Ca 0.31 2.09 0.32 0.00 0.05 0.00 0.00 61.00 63.77 1nzk s PRO 136 Cb -0.10 -2.41 1.90 0.00 0.05 0.00 0.00 34.50 33.94 1nzk s PRO 136 CO 0.24 -0.86 2.22 0.28 0.05 0.00 0.00 177.00 178.93