#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pzz n PHE 1 N 0.00 1.67 -2.70 -1.40 7.35 -1.26 -5.00 117.46 116.11 1pzz n PHE 1 Ca 0.00 -1.94 -0.43 0.00 -0.76 0.00 0.00 57.45 54.32 1pzz n PHE 1 Cb 0.00 -0.28 -0.03 0.00 0.35 0.00 0.00 39.48 39.53 1pzz n PHE 1 CO 0.00 0.00 0.00 -0.80 -0.76 0.00 0.00 176.76 175.20 1pzz s ASN 2 N -3.47 6.73 0.03 -2.13 0.01 -1.26 -5.01 114.94 109.83 1pzz s ASN 2 Ca 0.40 0.65 -0.01 0.00 -0.71 0.00 0.00 52.86 53.19 1pzz s ASN 2 Cb 0.38 -2.51 -0.04 0.00 0.41 0.00 0.00 41.25 39.49 1pzz s ASN 2 CO -0.02 -0.99 0.17 -0.76 -1.51 0.00 0.00 177.10 173.99 1pzz s LEU 3 N 3.81 4.25 0.56 0.60 1.43 -1.26 -0.85 118.68 127.22 1pzz s LEU 3 Ca 0.43 0.26 -0.17 0.00 -1.03 0.00 0.00 54.13 53.61 1pzz s LEU 3 Cb -0.11 -2.68 -0.05 0.00 0.03 0.00 0.00 46.19 43.38 1pzz s LEU 3 CO 0.22 0.22 1.05 -2.16 0.23 0.00 0.00 176.35 175.91 1pzz s PRO 4 N -2.17 3.48 0.81 1.29 0.04 -1.26 -4.65 135.00 132.55 1pzz s PRO 4 Ca 0.30 1.25 -0.11 0.00 0.04 0.00 0.00 61.00 62.47 1pzz s PRO 4 Cb -0.13 -2.05 0.11 0.00 0.04 0.00 0.00 34.50 32.47 1pzz s PRO 4 CO 0.22 -0.68 1.16 -1.25 0.04 0.00 0.00 177.00 176.48 1pzz s PRO 5 N -3.82 1.69 0.00 0.56 0.04 -1.26 -4.96 135.00 127.24 1pzz s PRO 5 Ca 0.65 -0.19 0.00 0.00 0.04 0.00 0.00 61.00 61.50 1pzz s PRO 5 Cb -0.16 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.37 1pzz s PRO 5 CO 0.32 -1.69 0.00 0.41 0.04 0.00 0.00 177.00 176.08 1pzz n GLY 6 N -3.29 2.50 3.09 0.56 0.00 -1.26 -5.11 105.19 101.68 1pzz n GLY 6 Ca 0.10 -1.78 -0.27 0.00 0.00 0.00 0.00 46.02 44.07 1pzz n GLY 6 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1pzz n ASN 7 N 0.00 3.14 -1.10 1.61 0.23 -1.26 -5.05 115.26 112.83 1pzz n ASN 7 Ca 0.00 -2.86 0.08 0.00 -0.53 0.00 0.00 54.58 51.27 1pzz n ASN 7 Cb 0.00 0.27 0.29 0.00 -2.08 0.00 0.00 39.78 38.26 1pzz n ASN 7 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 1pzz n TYR 8 N -1.11 1.16 -0.12 -2.53 4.01 -1.26 -4.69 117.16 112.62 1pzz n TYR 8 Ca -0.17 -0.83 -0.05 0.00 -0.16 0.00 0.00 57.90 56.70 1pzz n TYR 8 Cb 0.54 -0.34 0.03 0.00 -0.31 0.00 0.00 39.34 39.26 1pzz n TYR 8 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 1pzz h LYS 9 N 2.30 0.26 -6.12 -0.72 1.57 -1.97 -3.44 116.57 108.46 1pzz h LYS 9 Ca 0.00 -0.02 -0.57 0.00 -1.87 0.00 0.00 60.65 58.19 1pzz h LYS 9 Cb 1.52 -0.06 -0.10 0.00 0.08 0.00 0.00 32.23 33.67 1pzz h LYS 9 CO 0.27 0.17 -0.63 0.15 -0.57 0.00 0.00 179.45 178.85 1pzz s LYS 10 N -6.15 2.18 0.87 3.15 1.02 -1.26 -5.10 119.74 114.44 1pzz s LYS 10 Ca -0.13 -1.59 -0.12 0.00 0.02 0.00 0.00 55.97 54.15 1pzz s LYS 10 Cb 0.13 -2.05 0.11 0.00 -0.52 0.00 0.00 37.83 35.51 1pzz s LYS 10 CO 0.72 0.24 1.11 -1.25 -0.92 0.00 0.00 175.35 175.24 1pzz s PRO 11 N -3.70 1.49 0.26 -1.68 0.04 -1.26 -4.73 135.00 125.41 1pzz s PRO 11 Ca 0.34 0.53 -0.14 0.00 0.04 0.00 0.00 61.00 61.77 1pzz s PRO 11 Cb -0.03 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.65 1pzz s PRO 11 CO 0.20 -2.01 0.53 -1.59 0.04 0.00 0.00 177.00 174.17 1pzz s LYS 12 N -5.15 1.64 -0.13 4.56 -2.85 0.81 -4.09 119.74 114.53 1pzz s LYS 12 Ca 0.63 -1.24 -0.06 0.00 -1.00 0.00 0.00 55.97 54.30 1pzz s LYS 12 Cb -0.15 0.50 -0.04 0.00 -2.06 0.00 0.00 37.83 36.08 1pzz s LYS 12 CO 0.55 -0.70 0.08 -0.51 0.10 0.00 0.00 175.35 174.86 1pzz s LEU 13 N -3.01 3.97 -0.54 2.77 1.43 0.49 -0.93 118.68 122.85 1pzz s LEU 13 Ca 0.21 0.24 -0.16 0.00 -1.03 0.00 0.00 54.13 53.39 1pzz s LEU 13 Cb -0.02 -1.97 0.13 0.00 0.03 0.00 0.00 46.19 44.37 1pzz s LEU 13 CO 0.09 0.31 0.50 -0.76 0.23 0.00 0.00 176.35 176.73 1pzz s LEU 14 N -0.47 6.18 -0.20 1.79 1.43 -1.26 -0.94 118.68 125.20 1pzz s LEU 14 Ca 0.10 -1.81 -0.26 0.00 -1.03 0.00 0.00 54.13 51.14 1pzz s LEU 14 Cb -0.12 -2.20 -0.01 0.00 0.03 0.00 0.00 46.19 43.89 1pzz s LEU 14 CO 0.02 -0.85 0.87 -0.47 0.23 0.00 0.00 176.35 176.15 1pzz s TYR 15 N 1.57 3.37 -0.25 0.29 5.04 -0.58 -1.06 117.35 125.72 1pzz s TYR 15 Ca 0.03 1.25 -0.19 0.00 -2.44 0.00 0.00 57.07 55.73 1pzz s TYR 15 Cb -0.30 -3.07 -0.03 0.00 0.35 0.00 0.00 41.96 38.92 1pzz s TYR 15 CO 0.03 -0.34 0.55 0.00 -1.34 0.00 0.00 175.55 174.45 1pzz h SER 17 N 7.90 0.00 0.11 0.00 4.64 -1.49 -0.38 113.55 124.32 1pzz h SER 17 Ca -0.29 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.03 1pzz h SER 17 Cb 1.14 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.22 1pzz h SER 17 CO 0.73 0.03 -0.18 -1.13 -0.87 0.00 0.00 176.83 175.42 1pzz h ASN 18 N 0.00 -0.52 -0.07 4.97 -1.24 -1.77 -3.34 115.58 113.61 1pzz h ASN 18 Ca -0.00 0.05 0.00 0.00 0.71 0.00 0.00 56.30 57.06 1pzz h ASN 18 Cb 0.09 0.18 0.00 0.00 0.73 0.00 0.00 38.32 39.32 1pzz h ASN 18 CO 0.00 -0.21 0.00 0.61 -1.29 0.00 0.00 177.43 176.54 1pzz n GLY 19 N -1.18 0.33 1.67 1.57 0.00 -1.23 -4.88 105.19 101.47 1pzz n GLY 19 Ca -0.04 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1pzz n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pzz n GLY 20 N 0.29 0.56 3.82 -0.02 0.00 -0.16 -5.03 105.19 104.66 1pzz n GLY 20 Ca 0.05 -0.21 -0.35 0.00 0.00 0.00 0.00 46.02 45.52 1pzz n GLY 20 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1pzz s HIS 21 N -2.00 3.54 -0.10 1.61 3.76 -1.21 -4.70 115.29 116.18 1pzz s HIS 21 Ca 0.00 1.39 -0.15 0.00 -0.15 0.00 0.00 55.06 56.15 1pzz s HIS 21 Cb 0.00 -2.64 -0.05 0.00 1.11 0.00 0.00 32.58 31.00 1pzz s HIS 21 CO 0.00 0.21 0.37 -0.06 -0.85 0.00 0.00 174.74 174.41 1pzz s PHE 22 N -1.73 3.56 0.28 1.40 0.08 0.13 -0.21 117.98 121.47 1pzz s PHE 22 Ca 0.49 0.78 -0.30 0.00 0.12 0.00 0.00 56.93 58.02 1pzz s PHE 22 Cb -0.14 -2.37 -0.12 0.00 -0.57 0.00 0.00 43.02 39.83 1pzz s PHE 22 CO 0.19 0.35 1.63 -1.17 -0.10 0.00 0.00 175.22 176.13 1pzz s LEU 23 N 0.01 4.35 -0.03 -0.37 2.96 -0.23 -2.00 118.68 123.37 1pzz s LEU 23 Ca 0.21 2.95 0.03 0.00 -0.22 0.00 0.00 54.13 57.10 1pzz s LEU 23 Cb -0.15 -3.63 0.00 0.00 0.50 0.00 0.00 46.19 42.92 1pzz s LEU 23 CO 0.08 -0.94 -0.12 -0.60 -1.32 0.00 0.00 176.35 173.45 1pzz s ARG 24 N -0.20 1.30 -0.30 1.98 3.52 0.11 -4.49 118.95 120.87 1pzz s ARG 24 Ca 0.66 -0.42 0.01 0.00 -0.13 0.00 0.00 55.73 55.84 1pzz s ARG 24 Cb -0.48 -1.17 0.07 0.00 -1.56 0.00 0.00 34.95 31.81 1pzz s ARG 24 CO 0.45 0.16 -0.01 0.42 -0.81 0.00 0.00 175.30 175.51 1pzz s ILE 25 N 0.16 2.65 0.70 4.11 1.01 -0.93 -1.15 121.20 127.75 1pzz s ILE 25 Ca -0.04 -1.67 -0.11 0.00 0.00 0.00 0.00 60.65 58.83 1pzz s ILE 25 Cb -0.10 -2.62 0.01 0.00 0.01 0.00 0.00 42.46 39.76 1pzz s ILE 25 CO 0.01 -0.21 1.07 -0.76 0.00 0.00 0.00 174.94 175.05 1pzz s LEU 26 N 1.14 2.99 0.46 2.97 1.43 0.12 -4.82 118.68 122.97 1pzz s LEU 26 Ca -0.03 1.36 0.16 0.00 -1.03 0.00 0.00 54.13 54.59 1pzz s LEU 26 Cb -0.20 -4.21 1.12 0.00 0.03 0.00 0.00 46.19 42.93 1pzz s LEU 26 CO -0.04 -1.35 1.99 -0.65 0.23 0.00 0.00 176.35 176.54 1pzz h PRO 27 N -0.65 0.29 -0.10 1.29 0.11 -1.99 -0.84 132.00 130.11 1pzz h PRO 27 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1pzz h PRO 27 Cb 1.23 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1pzz h PRO 27 CO 0.61 0.19 0.00 -0.40 -0.21 0.00 0.00 178.00 178.19 1pzz n ASP 28 N -4.46 0.75 0.00 -2.05 5.75 -1.26 -4.87 116.55 110.42 1pzz n ASP 28 Ca 0.09 -1.68 0.00 0.00 -0.01 0.00 0.00 54.79 53.19 1pzz n ASP 28 Cb 0.41 -0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.44 1pzz n ASP 28 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1pzz n GLY 29 N 0.88 0.83 3.75 6.12 0.00 -0.32 -4.96 105.19 111.49 1pzz n GLY 29 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 1pzz n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pzz s THR 30 N -2.55 2.99 -0.12 2.61 2.01 -1.25 -0.30 115.64 119.02 1pzz s THR 30 Ca 0.00 0.90 0.02 0.00 0.31 0.00 0.00 61.69 62.92 1pzz s THR 30 Cb 0.00 -3.58 -0.00 0.00 0.01 0.00 0.00 72.50 68.93 1pzz s THR 30 CO 0.00 0.18 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.23 1pzz s VAL 31 N -0.55 2.46 0.00 3.82 1.01 -1.26 0.13 120.40 126.02 1pzz s VAL 31 Ca 0.52 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.64 1pzz s VAL 31 Cb -0.38 -2.00 0.00 0.00 0.00 0.00 0.00 36.38 34.01 1pzz s VAL 31 CO 0.45 0.54 0.00 -0.90 0.00 0.00 0.00 175.10 175.19 1pzz n ASP 32 N 3.70 0.00 -4.16 3.32 5.75 -0.30 -4.43 116.55 120.43 1pzz n ASP 32 Ca -0.19 0.00 -0.15 0.00 -0.01 0.00 0.00 54.79 54.44 1pzz n ASP 32 Cb 0.52 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 40.50 1pzz n ASP 32 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1pzz s GLY 33 N 0.00 0.81 0.02 6.12 0.00 0.16 0.09 107.32 114.52 1pzz s GLY 33 Ca 0.00 -1.08 -0.06 0.00 0.00 0.00 0.00 44.72 43.58 1pzz s GLY 33 CO 0.00 -1.14 0.12 -1.08 0.00 0.00 0.00 173.10 171.00 1pzz s THR 34 N -1.95 0.10 -1.57 0.90 -1.32 -0.85 -4.78 115.64 106.17 1pzz s THR 34 Ca 0.01 -0.83 0.23 0.00 -1.21 0.00 0.00 61.69 59.89 1pzz s THR 34 Cb -0.06 -0.58 -0.01 0.00 -1.51 0.00 0.00 72.50 70.34 1pzz s THR 34 CO 0.01 -0.46 1.17 0.54 -2.21 0.00 0.00 174.62 173.67 1pzz n ARG 35 N 1.22 0.66 -2.54 7.08 1.74 -1.26 0.18 116.66 123.73 1pzz n ARG 35 Ca -0.22 -0.50 -0.43 0.00 -0.77 0.00 0.00 57.85 55.93 1pzz n ARG 35 Cb 0.56 -1.49 -0.02 0.00 -1.02 0.00 0.00 32.46 30.49 1pzz n ARG 35 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1pzz s ASP 36 N -2.69 6.52 0.07 0.55 2.15 -1.26 -4.88 116.67 117.13 1pzz s ASP 36 Ca 0.16 0.47 0.20 0.00 0.43 0.00 0.00 52.55 53.81 1pzz s ASP 36 Cb 0.18 -2.55 0.84 0.00 -0.30 0.00 0.00 42.92 41.09 1pzz s ASP 36 CO 0.66 -1.35 1.64 0.54 -0.17 0.00 0.00 175.17 176.49 1pzz n ARG 37 N 8.03 0.07 0.11 4.34 1.74 -1.26 -2.22 116.66 127.46 1pzz n ARG 37 Ca 0.12 0.24 0.13 0.00 -0.77 0.00 0.00 57.85 57.56 1pzz n ARG 37 Cb 0.49 -1.61 0.30 0.00 -1.02 0.00 0.00 32.46 30.62 1pzz n ARG 37 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1pzz h SER 38 N 0.00 0.00 -2.38 0.55 4.64 -2.01 -3.46 113.55 110.89 1pzz h SER 38 Ca 0.00 -0.06 -0.61 0.00 -0.47 0.00 0.00 61.79 60.65 1pzz h SER 38 Cb 0.37 0.00 0.09 0.00 -0.31 0.00 0.00 62.40 62.55 1pzz h SER 38 CO 0.00 0.03 0.37 -0.67 -0.87 0.00 0.00 176.83 175.68 1pzz n ASP 39 N -2.35 1.88 -0.80 4.97 -0.08 -0.94 -4.88 116.55 114.36 1pzz n ASP 39 Ca 0.05 1.15 0.10 0.00 -1.51 0.00 0.00 54.79 54.58 1pzz n ASP 39 Cb 0.45 -1.32 0.28 0.00 2.34 0.00 0.00 41.12 42.87 1pzz n ASP 39 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1pzz n GLN 40 N 1.54 2.03 -0.34 -0.67 1.13 -1.26 -4.05 117.38 115.76 1pzz n GLN 40 Ca 0.12 -1.57 0.07 0.00 -1.94 0.00 0.00 57.00 53.68 1pzz n GLN 40 Cb 0.29 -1.41 0.19 0.00 0.11 0.00 0.00 30.24 29.43 1pzz n GLN 40 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 1pzz n HIS 41 N 0.78 0.44 0.37 1.08 8.25 -1.26 -4.54 115.22 120.34 1pzz n HIS 41 Ca 0.17 -1.09 0.04 0.00 -0.26 0.00 0.00 57.72 56.57 1pzz n HIS 41 Cb 0.41 -0.26 -0.04 0.00 1.12 0.00 0.00 29.99 31.23 1pzz n HIS 41 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 1pzz n ILE 42 N -1.07 0.00 -2.47 1.59 -5.35 -1.26 -2.18 119.36 108.63 1pzz n ILE 42 Ca 0.20 -0.33 -0.43 0.00 -0.27 0.00 0.00 62.75 61.93 1pzz n ILE 42 Cb 0.78 1.01 -0.02 0.00 -1.74 0.00 0.00 39.64 39.67 1pzz n ILE 42 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1pzz s GLN 43 N -1.67 4.17 -0.04 6.28 1.11 -1.26 -4.47 119.66 123.78 1pzz s GLN 43 Ca 0.03 1.51 0.07 0.00 0.01 0.00 0.00 55.36 56.99 1pzz s GLN 43 Cb 0.06 -3.76 -0.01 0.00 -1.01 0.00 0.00 33.01 28.28 1pzz s GLN 43 CO 0.31 -0.77 -0.25 -0.51 0.01 0.00 0.00 175.29 174.07 1pzz s LEU 44 N 3.61 2.07 -0.27 2.90 1.43 -0.10 -2.28 118.68 126.04 1pzz s LEU 44 Ca 0.53 -0.49 -0.08 0.00 -1.03 0.00 0.00 54.13 53.05 1pzz s LEU 44 Cb -0.19 -1.36 -0.02 0.00 0.03 0.00 0.00 46.19 44.64 1pzz s LEU 44 CO 0.15 0.27 0.09 -1.58 0.23 0.00 0.00 176.35 175.51 1pzz s GLN 45 N -0.34 3.55 0.08 1.70 2.00 0.15 -0.13 119.66 126.67 1pzz s GLN 45 Ca 0.02 -0.56 -0.06 0.00 -2.00 0.00 0.00 55.36 52.76 1pzz s GLN 45 Cb -0.12 -3.40 -0.05 0.00 0.80 0.00 0.00 33.01 30.24 1pzz s GLN 45 CO 0.02 -0.26 0.33 -0.51 -0.50 0.00 0.00 175.29 174.37 1pzz s LEU 46 N 1.61 4.32 0.00 3.68 1.02 -1.26 -0.80 118.68 127.26 1pzz s LEU 46 Ca 0.06 0.59 -0.08 0.00 0.02 0.00 0.00 54.13 54.72 1pzz s LEU 46 Cb -0.16 -3.01 0.00 0.00 0.02 0.00 0.00 46.19 43.04 1pzz s LEU 46 CO 0.04 0.15 0.14 -0.94 0.02 0.00 0.00 176.35 175.77 1pzz s SER 47 N -2.08 0.02 0.16 2.29 1.04 -0.86 -4.75 113.70 109.52 1pzz s SER 47 Ca 0.35 -0.21 -0.08 0.00 0.48 0.00 0.00 55.95 56.49 1pzz s SER 47 Cb -0.13 0.21 -0.06 0.00 0.10 0.00 0.00 66.02 66.14 1pzz s SER 47 CO 0.21 -0.38 0.45 0.00 0.98 0.00 0.00 173.24 174.49 1pzz s ALA 48 N -1.43 3.69 0.00 5.32 0.00 -1.26 -0.45 121.76 127.63 1pzz s ALA 48 Ca -0.14 -0.40 0.00 0.00 0.00 0.00 0.00 51.96 51.41 1pzz s ALA 48 Cb -0.07 -2.28 0.00 0.00 0.00 0.00 0.00 23.12 20.77 1pzz s ALA 48 CO 0.02 0.58 0.00 -1.91 0.00 0.00 0.00 175.76 174.45 1pzz n GLU 49 N 0.24 0.00 -2.15 0.00 4.07 -0.69 -4.92 120.64 117.18 1pzz n GLU 49 Ca -0.03 0.00 -0.27 0.00 -0.06 0.00 0.00 57.16 56.81 1pzz n GLU 49 Cb 0.52 0.00 0.07 0.00 -0.06 0.00 0.00 31.44 31.97 1pzz n GLU 49 CO 0.00 0.00 0.00 -1.12 -0.06 0.00 0.00 177.13 175.95 1pzz s SER 50 N 0.05 4.86 0.23 4.31 0.01 -1.26 -4.91 113.70 117.00 1pzz s SER 50 Ca 0.00 0.56 -0.32 0.00 1.31 0.00 0.00 55.95 57.51 1pzz s SER 50 Cb 0.00 -1.22 -0.13 0.00 0.21 0.00 0.00 66.02 64.88 1pzz s SER 50 CO 0.00 -1.59 1.50 0.59 0.41 0.00 0.00 173.24 174.15 1pzz n ASN 51 N -2.96 3.13 0.00 2.44 3.02 -1.26 -0.98 115.26 118.65 1pzz n ASN 51 Ca 0.08 1.13 0.00 0.00 -0.03 0.00 0.00 54.58 55.75 1pzz n ASN 51 Cb 0.60 -1.47 0.00 0.00 -0.61 0.00 0.00 39.78 38.30 1pzz n ASN 51 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1pzz n GLY 52 N 2.51 1.69 3.53 7.41 0.00 -1.26 -5.02 105.19 114.06 1pzz n GLY 52 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 1pzz n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pzz s GLU 53 N -0.11 3.07 0.12 1.61 2.02 -0.15 -1.32 118.70 123.93 1pzz s GLU 53 Ca 0.00 -0.56 0.02 0.00 0.02 0.00 0.00 54.97 54.44 1pzz s GLU 53 Cb 0.00 -2.67 -0.04 0.00 0.10 0.00 0.00 34.13 31.51 1pzz s GLU 53 CO 0.00 0.49 -0.04 0.14 0.02 0.00 0.00 175.26 175.87 1pzz s VAL 54 N -0.35 0.67 0.05 2.63 -7.23 -0.14 -1.71 120.40 114.33 1pzz s VAL 54 Ca 0.05 -1.95 0.05 0.00 -1.81 0.00 0.00 61.98 58.33 1pzz s VAL 54 Cb -0.12 -1.81 -0.04 0.00 0.56 0.00 0.00 36.38 34.97 1pzz s VAL 54 CO 0.02 -0.76 -0.10 -0.31 -0.31 0.00 0.00 175.10 173.65 1pzz s TYR 55 N -3.65 2.78 -0.27 2.82 2.02 0.40 -1.70 117.35 119.76 1pzz s TYR 55 Ca 0.15 -0.12 0.02 0.00 -0.37 0.00 0.00 57.07 56.76 1pzz s TYR 55 Cb 0.06 -1.52 0.07 0.00 -0.40 0.00 0.00 41.96 40.17 1pzz s TYR 55 CO -0.02 0.37 -0.05 0.42 -1.57 0.00 0.00 175.55 174.70 1pzz s ILE 56 N -1.07 1.94 -0.08 2.71 1.01 -1.26 -2.02 121.20 122.42 1pzz s ILE 56 Ca 0.19 -1.67 0.00 0.00 0.00 0.00 0.00 60.65 59.17 1pzz s ILE 56 Cb -0.11 -2.20 -0.03 0.00 0.01 0.00 0.00 42.46 40.13 1pzz s ILE 56 CO 0.10 -0.21 -0.07 -0.75 0.00 0.00 0.00 174.94 174.00 1pzz s LYS 57 N 1.17 2.86 -0.22 2.79 2.20 0.02 -0.57 119.74 127.99 1pzz s LYS 57 Ca -0.03 -0.56 -0.29 0.00 -0.36 0.00 0.00 55.97 54.74 1pzz s LYS 57 Cb -0.19 -2.62 -0.01 0.00 -1.51 0.00 0.00 37.83 33.50 1pzz s LYS 57 CO -0.07 0.60 1.31 0.45 -0.36 0.00 0.00 175.35 177.28 1pzz s SER 58 N -0.63 6.79 0.41 1.43 0.15 0.08 0.33 113.70 122.25 1pzz s SER 58 Ca 0.10 1.50 0.20 0.00 0.70 0.00 0.00 55.95 58.44 1pzz s SER 58 Cb -0.12 -2.54 0.85 0.00 -1.71 0.00 0.00 66.02 62.50 1pzz s SER 58 CO 0.02 -0.93 1.82 0.71 1.20 0.00 0.00 173.24 176.06 1pzz h THR 59 N 5.73 0.85 0.00 6.45 1.35 -1.79 0.30 112.91 125.80 1pzz h THR 59 Ca -0.27 -1.27 -0.13 0.00 -0.55 0.00 0.00 66.41 64.19 1pzz h THR 59 Cb 1.11 1.77 0.01 0.00 -1.73 0.00 0.00 68.15 69.31 1pzz h THR 59 CO 1.00 0.31 -0.50 -0.08 -0.25 0.00 0.00 175.52 175.99 1pzz h GLU 60 N 0.00 0.34 0.00 4.72 4.57 -1.80 -3.38 114.58 119.03 1pzz h GLU 60 Ca -0.00 -0.37 0.00 0.00 -1.18 0.00 0.00 59.36 57.81 1pzz h GLU 60 Cb 0.75 0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.44 1pzz h GLU 60 CO 0.04 1.05 -1.26 0.25 -1.18 0.00 0.00 179.01 177.91 1pzz n THR 61 N -4.30 0.00 -0.94 0.32 -2.24 -1.23 -5.01 114.28 100.89 1pzz n THR 61 Ca -0.10 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 1pzz n THR 61 Cb 0.63 0.49 0.00 0.00 -2.10 0.00 0.00 70.33 69.35 1pzz n THR 61 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pzz n GLY 62 N 1.56 0.84 3.83 3.38 0.00 0.11 -5.02 105.19 109.88 1pzz n GLY 62 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 1pzz n GLY 62 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1pzz s GLN 63 N -0.06 3.74 -0.05 1.61 -0.21 -1.26 -4.74 119.66 118.70 1pzz s GLN 63 Ca 0.00 1.01 -0.01 0.00 0.02 0.00 0.00 55.36 56.39 1pzz s GLN 63 Cb 0.00 -2.10 -0.03 0.00 1.00 0.00 0.00 33.01 31.87 1pzz s GLN 63 CO 0.00 -0.45 0.01 0.71 -2.12 0.00 0.00 175.29 173.45 1pzz s TYR 64 N -2.61 3.16 0.32 0.91 1.51 0.65 -0.74 117.35 120.54 1pzz s TYR 64 Ca 0.60 0.17 -0.29 0.00 -1.01 0.00 0.00 57.07 56.54 1pzz s TYR 64 Cb -0.12 -1.75 -0.10 0.00 -0.11 0.00 0.00 41.96 39.88 1pzz s TYR 64 CO 0.34 0.48 1.28 -1.17 -1.11 0.00 0.00 175.55 175.38 1pzz s LEU 65 N -1.19 4.44 0.06 -1.29 2.96 0.27 0.38 118.68 124.31 1pzz s LEU 65 Ca 0.16 2.61 -0.08 0.00 -0.22 0.00 0.00 54.13 56.61 1pzz s LEU 65 Cb -0.11 -3.64 -0.00 0.00 0.50 0.00 0.00 46.19 42.93 1pzz s LEU 65 CO 0.06 -0.48 0.16 0.00 -1.32 0.00 0.00 176.35 174.77 1pzz s ALA 66 N -1.05 -0.20 -0.11 5.97 0.00 -0.09 -4.40 121.76 121.88 1pzz s ALA 66 Ca 0.49 -0.52 0.01 0.00 0.00 0.00 0.00 51.96 51.94 1pzz s ALA 66 Cb -0.39 0.35 0.02 0.00 0.00 0.00 0.00 23.12 23.10 1pzz s ALA 66 CO 0.50 -0.41 -0.13 1.41 0.00 0.00 0.00 175.76 177.13 1pzz s MET 67 N -3.15 2.02 0.82 0.00 1.75 -0.69 -1.02 119.30 119.02 1pzz s MET 67 Ca -0.00 -0.48 -0.10 0.00 -1.25 0.00 0.00 55.69 53.86 1pzz s MET 67 Cb 0.02 -1.79 0.18 0.00 2.84 0.00 0.00 34.83 36.08 1pzz s MET 67 CO -0.07 -0.12 1.11 -0.40 -0.65 0.00 0.00 175.02 174.89 1pzz n ASP 68 N 4.38 0.52 0.12 1.11 5.68 -0.22 -4.81 116.55 123.33 1pzz n ASP 68 Ca -0.18 -1.67 0.09 0.00 -0.50 0.00 0.00 54.79 52.54 1pzz n ASP 68 Cb 0.51 -0.81 0.46 0.00 -1.14 0.00 0.00 41.12 40.13 1pzz n ASP 68 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1pzz n THR 69 N -3.34 1.11 0.60 2.12 -2.24 -1.26 -0.29 114.28 110.99 1pzz n THR 69 Ca 0.15 0.52 0.12 0.00 -2.27 0.00 0.00 64.05 62.57 1pzz n THR 69 Cb 0.54 -1.48 0.16 0.00 -2.10 0.00 0.00 70.33 67.45 1pzz n THR 69 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1pzz n ASP 70 N -2.09 3.26 0.00 3.42 8.00 -1.26 -4.96 116.55 122.92 1pzz n ASP 70 Ca 0.00 -1.99 0.00 0.00 0.71 0.00 0.00 54.79 53.51 1pzz n ASP 70 Cb 0.10 -0.14 0.00 0.00 -0.02 0.00 0.00 41.12 41.06 1pzz n ASP 70 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1pzz n GLY 71 N 1.43 0.54 3.86 0.44 0.00 0.61 -4.60 105.19 107.46 1pzz n GLY 71 Ca 0.17 -0.47 -0.37 0.00 0.00 0.00 0.00 46.02 45.34 1pzz n GLY 71 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pzz s LEU 72 N 0.00 4.44 0.45 0.99 2.01 -1.26 0.75 118.68 126.05 1pzz s LEU 72 Ca 0.00 0.76 -0.18 0.00 0.01 0.00 0.00 54.13 54.73 1pzz s LEU 72 Cb 0.00 -2.41 -0.09 0.00 0.01 0.00 0.00 46.19 43.70 1pzz s LEU 72 CO 0.00 0.35 0.92 -0.76 1.01 0.00 0.00 176.35 177.87 1pzz s LEU 73 N -1.11 3.83 0.11 1.79 1.43 -1.26 -1.05 118.68 122.41 1pzz s LEU 73 Ca 0.21 1.55 -0.25 0.00 -1.03 0.00 0.00 54.13 54.61 1pzz s LEU 73 Cb -0.15 -4.43 0.08 0.00 0.03 0.00 0.00 46.19 41.72 1pzz s LEU 73 CO 0.10 -0.43 0.72 -0.72 0.23 0.00 0.00 176.35 176.26 1pzz s TYR 74 N -2.34 -0.43 -0.27 0.29 1.13 -0.19 -4.64 117.35 110.91 1pzz s TYR 74 Ca 0.59 0.23 -0.19 0.00 -1.41 0.00 0.00 57.07 56.29 1pzz s TYR 74 Cb -0.10 0.56 -0.02 0.00 -1.10 0.00 0.00 41.96 41.31 1pzz s TYR 74 CO 0.22 -0.76 0.57 0.20 -2.51 0.00 0.00 175.55 173.27 1pzz s GLY 75 N -2.67 1.82 -0.01 5.49 0.00 0.59 -0.91 107.32 111.62 1pzz s GLY 75 Ca 0.03 -0.56 -0.09 0.00 0.00 0.00 0.00 44.72 44.11 1pzz s GLY 75 CO -0.10 1.35 0.29 -0.45 0.00 0.00 0.00 173.10 174.18 1pzz s SER 76 N 1.54 6.55 0.44 1.64 0.15 0.16 -4.72 113.70 119.46 1pzz s SER 76 Ca 0.24 0.65 0.23 0.00 0.70 0.00 0.00 55.95 57.76 1pzz s SER 76 Cb -0.15 -2.13 1.02 0.00 -1.71 0.00 0.00 66.02 63.05 1pzz s SER 76 CO 0.09 0.29 1.88 1.56 1.20 0.00 0.00 173.24 178.26 1pzz h GLN 77 N 4.28 0.00 -5.06 5.44 1.08 -1.91 0.19 115.11 119.12 1pzz h GLN 77 Ca -0.51 0.00 -0.34 0.00 -1.45 0.00 0.00 58.65 56.34 1pzz h GLN 77 Cb 1.21 0.00 -0.19 0.00 -0.05 0.00 0.00 27.48 28.45 1pzz h GLN 77 CO 0.64 0.24 -0.74 0.95 -0.95 0.00 0.00 178.83 178.97 1pzz s THR 78 N -3.88 0.99 -0.85 -0.54 -4.23 -1.26 -4.82 115.64 101.06 1pzz s THR 78 Ca -0.01 -1.55 -0.22 0.00 -1.18 0.00 0.00 61.69 58.73 1pzz s THR 78 Cb 0.12 -1.27 0.08 0.00 1.34 0.00 0.00 72.50 72.77 1pzz s THR 78 CO 0.64 -0.47 1.16 -2.16 -0.54 0.00 0.00 174.62 173.25 1pzz s PRO 79 N -2.50 3.40 0.00 3.99 0.04 -1.26 -4.75 135.00 133.92 1pzz s PRO 79 Ca 0.03 -1.19 0.00 0.00 0.04 0.00 0.00 61.00 59.89 1pzz s PRO 79 Cb -0.05 -4.72 0.00 0.00 0.04 0.00 0.00 34.50 29.77 1pzz s PRO 79 CO 0.01 -1.92 0.00 0.27 0.04 0.00 0.00 177.00 175.40 1pzz n ASN 80 N 7.69 1.75 0.27 6.66 0.23 -1.26 -4.97 115.26 125.63 1pzz n ASN 80 Ca 0.15 -0.97 0.17 0.00 -0.53 0.00 0.00 54.58 53.40 1pzz n ASN 80 Cb 0.48 0.00 0.92 0.00 -2.08 0.00 0.00 39.78 39.10 1pzz n ASN 80 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 1pzz h GLU 81 N 0.00 0.00 0.00 -3.83 4.11 -1.98 0.11 114.58 112.99 1pzz h GLU 81 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1pzz h GLU 81 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1pzz h GLU 81 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 179.01 179.47 1pzz n GLU 82 N -3.70 0.08 0.00 1.06 1.02 -1.26 -3.48 120.64 114.35 1pzz n GLU 82 Ca -0.01 0.02 0.11 0.00 -0.02 0.00 0.00 57.16 57.26 1pzz n GLU 82 Cb 0.18 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.11 1pzz n GLU 82 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1pzz s LEU 84 N -2.45 4.34 0.08 0.00 1.43 -1.23 -4.45 118.68 116.40 1pzz s LEU 84 Ca 0.19 1.08 0.07 0.00 -1.03 0.00 0.00 54.13 54.44 1pzz s LEU 84 Cb 0.18 -2.93 -0.03 0.00 0.03 0.00 0.00 46.19 43.45 1pzz s LEU 84 CO 0.55 -0.01 -0.19 -0.36 0.23 0.00 0.00 176.35 176.57 1pzz s PHE 85 N 0.43 1.63 -0.49 0.29 0.40 -0.69 -1.24 117.98 118.31 1pzz s PHE 85 Ca 0.32 -0.41 -0.21 0.00 -0.60 0.00 0.00 56.93 56.03 1pzz s PHE 85 Cb -0.17 -0.91 0.04 0.00 0.51 0.00 0.00 43.02 42.49 1pzz s PHE 85 CO 0.16 0.14 0.69 -0.51 0.70 0.00 0.00 175.22 176.40 1pzz s LEU 86 N -1.69 4.64 -0.34 -0.37 1.43 0.14 -0.96 118.68 121.53 1pzz s LEU 86 Ca 0.04 -0.60 -0.24 0.00 -1.03 0.00 0.00 54.13 52.30 1pzz s LEU 86 Cb -0.10 -2.62 0.01 0.00 0.03 0.00 0.00 46.19 43.51 1pzz s LEU 86 CO 0.03 -0.92 0.82 -0.70 0.23 0.00 0.00 176.35 175.81 1pzz s GLU 87 N 2.95 3.86 0.09 1.70 2.12 -0.44 -1.73 118.70 127.26 1pzz s GLU 87 Ca 0.21 0.49 0.06 0.00 0.36 0.00 0.00 54.97 56.08 1pzz s GLU 87 Cb -0.16 -3.77 -0.03 0.00 0.26 0.00 0.00 34.13 30.42 1pzz s GLU 87 CO 0.16 -0.80 -0.15 1.03 -0.54 0.00 0.00 175.26 174.96 1pzz s ARG 88 N 3.11 0.94 0.47 4.30 1.81 -0.32 -4.63 118.95 124.63 1pzz s ARG 88 Ca 0.33 -1.09 -0.21 0.00 -1.72 0.00 0.00 55.73 53.04 1pzz s ARG 88 Cb -0.13 -0.93 -0.09 0.00 -0.45 0.00 0.00 34.95 33.34 1pzz s ARG 88 CO 0.15 0.20 1.02 -1.17 -0.68 0.00 0.00 175.30 174.82 1pzz s LEU 89 N -2.04 3.88 -0.02 2.53 2.96 -0.03 -0.21 118.68 125.74 1pzz s LEU 89 Ca 0.03 1.87 -0.03 0.00 -0.22 0.00 0.00 54.13 55.78 1pzz s LEU 89 Cb -0.08 -4.54 0.00 0.00 0.50 0.00 0.00 46.19 42.07 1pzz s LEU 89 CO 0.03 -0.67 0.08 -0.70 -1.32 0.00 0.00 176.35 173.77 1pzz s GLU 90 N -3.20 0.18 -1.12 1.98 2.56 -0.13 -4.81 118.70 114.16 1pzz s GLU 90 Ca 0.66 -0.03 -0.06 0.00 0.00 0.00 0.00 54.97 55.53 1pzz s GLU 90 Cb -0.15 0.08 0.05 0.00 2.00 0.00 0.00 34.13 36.11 1pzz s GLU 90 CO 0.18 -0.03 0.31 0.39 -0.56 0.00 0.00 175.26 175.56 1pzz n GLU 91 N 2.65 -2.99 -2.58 4.30 1.02 -1.26 -0.93 120.64 120.85 1pzz n GLU 91 Ca -0.15 0.46 -0.18 0.00 -0.02 0.00 0.00 57.16 57.27 1pzz n GLU 91 Cb 0.58 -5.12 -0.00 0.00 -0.02 0.00 0.00 31.44 26.88 1pzz n GLU 91 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1pzz n ASN 92 N -2.09 -5.04 0.00 1.62 4.13 -1.26 -4.64 115.26 107.98 1pzz n ASN 92 Ca -0.05 -0.01 0.00 0.00 1.68 0.00 0.00 54.58 56.21 1pzz n ASN 92 Cb 0.56 -4.20 0.00 0.00 -1.54 0.00 0.00 39.78 34.60 1pzz n ASN 92 CO 0.00 0.00 0.00 1.57 0.28 0.00 0.00 177.26 179.11 1pzz n HIS 93 N -3.85 -0.54 -2.48 3.10 -0.00 -0.11 -5.16 115.22 106.18 1pzz n HIS 93 Ca -0.17 0.00 -0.23 0.00 -0.00 0.00 0.00 57.72 57.31 1pzz n HIS 93 Cb 0.64 0.11 0.07 0.00 -0.00 0.00 0.00 29.99 30.81 1pzz n HIS 93 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 1pzz s TYR 94 N -1.23 2.52 -0.14 1.57 2.02 -0.34 -4.86 117.35 116.90 1pzz s TYR 94 Ca 0.00 0.06 -0.02 0.00 -0.37 0.00 0.00 57.07 56.74 1pzz s TYR 94 Cb 0.00 -2.98 -0.02 0.00 -0.40 0.00 0.00 41.96 38.56 1pzz s TYR 94 CO 0.00 -1.29 -0.09 -0.80 -1.57 0.00 0.00 175.55 171.80 1pzz s ASN 95 N -4.54 4.37 0.22 2.29 -0.87 0.48 -0.95 114.94 115.94 1pzz s ASN 95 Ca 0.61 -0.23 0.11 0.00 -1.57 0.00 0.00 52.86 51.78 1pzz s ASN 95 Cb -0.09 -1.65 -0.05 0.00 -0.02 0.00 0.00 41.25 39.45 1pzz s ASN 95 CO 0.42 0.18 -0.21 0.42 -2.57 0.00 0.00 177.10 175.34 1pzz s THR 96 N 0.27 2.25 -0.20 1.60 -4.23 0.70 -1.06 115.64 114.97 1pzz s THR 96 Ca -0.07 -2.14 -0.02 0.00 -1.18 0.00 0.00 61.69 58.28 1pzz s THR 96 Cb -0.15 -2.12 0.06 0.00 1.34 0.00 0.00 72.50 71.63 1pzz s THR 96 CO 0.04 -0.28 0.00 -0.31 -0.54 0.00 0.00 174.62 173.54 1pzz s TYR 97 N -2.09 1.46 -0.17 3.99 1.51 -1.26 -1.18 117.35 119.61 1pzz s TYR 97 Ca 0.23 -1.12 -0.08 0.00 -1.01 0.00 0.00 57.07 55.09 1pzz s TYR 97 Cb -0.06 -1.20 -0.04 0.00 -0.11 0.00 0.00 41.96 40.55 1pzz s TYR 97 CO 0.11 -0.65 0.10 0.42 -1.11 0.00 0.00 175.55 174.41 1pzz s ILE 98 N 1.71 5.14 -0.02 2.71 1.01 -0.70 -1.04 121.20 130.01 1pzz s ILE 98 Ca -0.02 0.09 -0.33 0.00 0.00 0.00 0.00 60.65 60.38 1pzz s ILE 98 Cb -0.17 -3.30 -0.12 0.00 0.01 0.00 0.00 42.46 38.88 1pzz s ILE 98 CO -0.07 0.50 1.85 -0.24 0.00 0.00 0.00 174.94 176.98 1pzz n SER 99 N 3.06 3.54 -0.06 3.58 2.88 -0.43 0.27 113.62 126.46 1pzz n SER 99 Ca -0.17 0.98 -0.11 0.00 -1.33 0.00 0.00 58.87 58.23 1pzz n SER 99 Cb 0.53 -1.41 -0.05 0.00 -0.75 0.00 0.00 64.21 62.53 1pzz n SER 99 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1pzz h LYS 100 N 8.92 0.30 -0.94 -1.46 3.64 -1.49 0.29 116.57 125.82 1pzz h LYS 100 Ca -0.48 -0.07 0.09 0.00 -1.27 0.00 0.00 60.65 58.92 1pzz h LYS 100 Cb 1.26 -0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 32.97 1pzz h LYS 100 CO 0.94 0.44 0.61 -0.22 -2.27 0.00 0.00 179.45 178.95 1pzz h LYS 101 N 0.12 0.96 -0.43 1.90 3.64 -1.76 -2.35 116.57 118.65 1pzz h LYS 101 Ca 0.06 -0.06 -0.19 0.00 -1.27 0.00 0.00 60.65 59.19 1pzz h LYS 101 Cb 0.28 -0.22 -0.12 0.00 -0.41 0.00 0.00 32.23 31.76 1pzz h LYS 101 CO 0.00 0.64 0.04 0.72 -2.27 0.00 0.00 179.45 178.57 1pzz n HIS 102 N -4.54 1.36 -0.32 1.91 8.25 -1.09 -4.74 115.22 116.05 1pzz n HIS 102 Ca 0.16 -1.50 0.08 0.00 -0.26 0.00 0.00 57.72 56.20 1pzz n HIS 102 Cb 0.28 -0.53 0.29 0.00 1.12 0.00 0.00 29.99 31.15 1pzz n HIS 102 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1pzz h ALA 103 N 1.19 1.62 0.00 -1.41 0.00 0.14 -0.50 119.26 120.30 1pzz h ALA 103 Ca 0.24 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 1pzz h ALA 103 Cb 1.80 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 19.40 1pzz h ALA 103 CO 0.46 0.15 -0.02 1.05 0.00 0.00 0.00 179.25 180.90 1pzz h GLU 104 N 0.90 0.00 -0.05 0.00 9.09 -1.85 -1.08 114.58 121.59 1pzz h GLU 104 Ca 0.46 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.87 1pzz h GLU 104 Cb 0.51 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.61 1pzz h GLU 104 CO -0.22 0.02 0.00 1.63 0.05 0.00 0.00 179.01 180.48 1pzz n LYS 105 N -3.73 1.99 -3.71 1.06 5.02 -0.20 -4.97 118.16 113.62 1pzz n LYS 105 Ca -0.03 -1.44 -0.22 0.00 -2.02 0.00 0.00 58.31 54.61 1pzz n LYS 105 Cb 0.10 -1.47 0.03 0.00 -0.02 0.00 0.00 35.03 33.67 1pzz n LYS 105 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1pzz n ASN 106 N 0.73 -1.27 -4.59 4.39 3.02 -0.41 -4.94 115.26 112.20 1pzz n ASN 106 Ca 0.17 -0.83 -0.41 0.00 -0.03 0.00 0.00 54.58 53.48 1pzz n ASN 106 Cb 0.47 -4.00 -0.07 0.00 -0.61 0.00 0.00 39.78 35.56 1pzz n ASN 106 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1pzz s TRP 107 N -3.68 3.21 0.19 3.10 0.51 -1.25 -4.61 118.94 116.42 1pzz s TRP 107 Ca 0.02 0.43 0.05 0.00 -2.12 0.00 0.00 56.10 54.47 1pzz s TRP 107 Cb -0.01 -2.87 -0.04 0.00 -0.81 0.00 0.00 33.47 29.75 1pzz s TRP 107 CO 0.82 -0.44 0.21 -0.06 -0.51 0.00 0.00 176.95 176.97 1pzz s PHE 108 N 2.42 3.26 0.07 -1.98 0.40 -1.26 -1.32 117.98 119.57 1pzz s PHE 108 Ca 0.21 -0.01 -0.30 0.00 -0.60 0.00 0.00 56.93 56.23 1pzz s PHE 108 Cb -0.15 -1.53 -0.05 0.00 0.51 0.00 0.00 43.02 41.80 1pzz s PHE 108 CO 0.12 0.51 1.01 0.08 0.70 0.00 0.00 175.22 177.63 1pzz s VAL 109 N -1.86 4.51 0.00 -0.44 1.01 -0.20 -4.52 120.40 118.90 1pzz s VAL 109 Ca 0.33 1.96 -0.25 0.00 0.00 0.00 0.00 61.98 64.01 1pzz s VAL 109 Cb -0.10 -4.25 0.06 0.00 0.00 0.00 0.00 36.38 32.09 1pzz s VAL 109 CO 0.26 0.24 0.57 -0.83 0.00 0.00 0.00 175.10 175.33 1pzz s GLY 110 N 0.44 -0.47 -0.04 4.51 0.00 -1.26 -4.47 107.32 106.03 1pzz s GLY 110 Ca 0.50 0.87 0.06 0.00 0.00 0.00 0.00 44.72 46.15 1pzz s GLY 110 CO 0.30 0.56 -0.23 1.08 0.00 0.00 0.00 173.10 174.81 1pzz s LEU 111 N -1.58 2.03 0.64 0.66 1.43 -0.42 -0.46 118.68 120.98 1pzz s LEU 111 Ca -0.09 -0.45 -0.10 0.00 -1.03 0.00 0.00 54.13 52.47 1pzz s LEU 111 Cb -0.01 -1.23 -0.01 0.00 0.03 0.00 0.00 46.19 44.97 1pzz s LEU 111 CO 0.04 0.24 1.02 -0.54 0.23 0.00 0.00 176.35 177.34 1pzz s LYS 112 N -0.26 3.13 0.53 1.70 1.02 0.63 -4.43 119.74 122.06 1pzz s LYS 112 Ca 0.01 0.44 0.20 0.00 0.02 0.00 0.00 55.97 56.64 1pzz s LYS 112 Cb -0.12 -2.11 1.34 0.00 -0.52 0.00 0.00 37.83 36.43 1pzz s LYS 112 CO 0.02 -0.78 2.11 0.87 -0.92 0.00 0.00 175.35 176.65 1pzz h LYS 113 N -0.41 0.00 -0.04 1.68 1.57 -1.89 -0.02 116.57 117.46 1pzz h LYS 113 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1pzz h LYS 113 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.54 1pzz h LYS 113 CO 0.63 0.00 0.00 0.27 -0.57 0.00 0.00 179.45 179.78 1pzz n ASN 114 N -4.44 0.43 0.00 0.86 0.23 -1.26 -4.72 115.26 106.37 1pzz n ASN 114 Ca 0.01 -1.47 0.00 0.00 -0.53 0.00 0.00 54.58 52.58 1pzz n ASN 114 Cb 0.24 -0.03 0.00 0.00 -2.08 0.00 0.00 39.78 37.92 1pzz n ASN 114 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1pzz n GLY 115 N 0.89 0.74 3.93 4.83 0.00 -0.02 -4.99 105.19 110.56 1pzz n GLY 115 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 1pzz n GLY 115 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pzz s SER 116 N -2.42 6.32 0.57 1.61 1.04 -1.26 0.40 113.70 119.96 1pzz s SER 116 Ca 0.00 0.21 -0.19 0.00 0.48 0.00 0.00 55.95 56.45 1pzz s SER 116 Cb 0.00 -1.92 -0.05 0.00 0.10 0.00 0.00 66.02 64.16 1pzz s SER 116 CO 0.00 0.12 1.18 0.00 0.98 0.00 0.00 173.24 175.51 1pzz s LYS 118 N -3.31 3.65 0.02 0.00 1.02 0.39 -4.74 119.74 116.78 1pzz s LYS 118 Ca 0.76 0.17 -0.18 0.00 0.02 0.00 0.00 55.97 56.74 1pzz s LYS 118 Cb -0.28 -2.51 -0.06 0.00 -0.52 0.00 0.00 37.83 34.47 1pzz s LYS 118 CO 0.31 0.04 0.51 1.03 -0.92 0.00 0.00 175.35 176.31 1pzz s ARG 119 N -3.96 4.13 0.27 1.68 0.52 -1.26 -4.66 118.95 115.66 1pzz s ARG 119 Ca 0.47 0.60 -0.04 0.00 -0.52 0.00 0.00 55.73 56.24 1pzz s ARG 119 Cb -0.10 -3.26 0.55 0.00 0.52 0.00 0.00 34.95 32.66 1pzz s ARG 119 CO 0.34 0.59 1.62 0.78 0.02 0.00 0.00 175.30 178.65 1pzz h GLY 120 N 4.88 1.00 1.99 -3.53 0.00 0.09 0.19 103.07 107.69 1pzz h GLY 120 Ca -0.49 0.12 0.00 0.00 0.00 0.00 0.00 47.33 46.95 1pzz h GLY 120 CO 0.64 -0.36 0.00 -1.55 0.00 0.00 0.00 176.54 175.28 1pzz n PRO 121 N -5.38 0.01 -0.48 4.80 -0.04 -1.26 -2.10 135.00 130.54 1pzz n PRO 121 Ca 0.17 0.29 0.09 0.00 -0.04 0.00 0.00 63.50 64.00 1pzz n PRO 121 Cb 0.57 -1.50 0.30 0.00 -0.04 0.00 0.00 33.50 32.83 1pzz n PRO 121 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1pzz n ARG 122 N -1.49 3.37 -4.25 0.54 5.12 0.67 -4.95 116.66 115.67 1pzz n ARG 122 Ca 0.03 -2.70 -0.24 0.00 -1.93 0.00 0.00 57.85 53.01 1pzz n ARG 122 Cb 0.14 -1.73 -0.07 0.00 -1.16 0.00 0.00 32.46 29.64 1pzz n ARG 122 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1pzz s THR 123 N -1.73 3.68 -0.19 0.55 -4.23 -0.89 -4.87 115.64 107.96 1pzz s THR 123 Ca 0.44 -1.72 -0.31 0.00 -1.18 0.00 0.00 61.69 58.92 1pzz s THR 123 Cb 0.28 -2.94 0.15 0.00 1.34 0.00 0.00 72.50 71.33 1pzz s THR 123 CO 0.22 -0.32 1.14 -1.38 -0.54 0.00 0.00 174.62 173.74 1pzz s HIS 124 N -2.16 -0.22 0.38 3.99 -3.43 -1.26 -4.84 115.29 107.75 1pzz s HIS 124 Ca 0.31 0.31 -0.24 0.00 -0.80 0.00 0.00 55.06 54.64 1pzz s HIS 124 Cb -0.07 0.48 -0.13 0.00 -1.43 0.00 0.00 32.58 31.43 1pzz s HIS 124 CO 0.20 -0.23 0.67 0.66 -2.00 0.00 0.00 174.74 174.04 1pzz n TYR 125 N 0.43 -0.01 0.00 0.38 4.01 -1.26 -2.46 117.16 118.24 1pzz n TYR 125 Ca -0.05 0.64 0.00 0.00 -0.16 0.00 0.00 57.90 58.33 1pzz n TYR 125 Cb 0.59 -2.06 0.00 0.00 -0.31 0.00 0.00 39.34 37.56 1pzz n TYR 125 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1pzz n GLY 126 N 1.64 3.43 3.82 2.72 0.00 -1.26 -5.06 105.19 110.48 1pzz n GLY 126 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 1pzz n GLY 126 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1pzz s GLN 127 N -0.93 4.22 0.42 1.61 -0.21 -1.03 -4.96 119.66 118.78 1pzz s GLN 127 Ca 0.00 0.97 0.23 0.00 0.02 0.00 0.00 55.36 56.58 1pzz s GLN 127 Cb 0.00 -2.47 0.55 0.00 1.00 0.00 0.00 33.01 32.09 1pzz s GLN 127 CO 0.00 0.14 1.67 0.87 -2.12 0.00 0.00 175.29 175.86 1pzz h LYS 128 N 2.46 0.00 0.00 2.91 1.79 -1.96 -3.24 116.57 118.52 1pzz h LYS 128 Ca -0.48 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 57.98 1pzz h LYS 128 Cb 1.18 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.83 1pzz h LYS 128 CO 0.64 0.16 -0.06 0.00 -1.08 0.00 0.00 179.45 179.11 1pzz h ALA 129 N 1.84 1.69 -0.05 3.86 0.00 -1.93 -2.53 119.26 122.13 1pzz h ALA 129 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1pzz h ALA 129 Cb 0.97 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1pzz h ALA 129 CO 0.02 0.08 0.00 0.44 0.00 0.00 0.00 179.25 179.79 1pzz n ILE 130 N -4.16 0.04 -3.24 0.00 -5.35 -1.22 -1.30 119.36 104.13 1pzz n ILE 130 Ca -0.03 -0.37 -0.40 0.00 -0.27 0.00 0.00 62.75 61.69 1pzz n ILE 130 Cb 0.15 0.84 -0.08 0.00 -1.74 0.00 0.00 39.64 38.81 1pzz n ILE 130 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1pzz s LEU 131 N -1.94 4.08 0.20 7.28 1.43 -0.96 -4.42 118.68 124.35 1pzz s LEU 131 Ca 0.34 0.46 0.10 0.00 -1.03 0.00 0.00 54.13 54.00 1pzz s LEU 131 Cb 0.20 -2.65 -0.04 0.00 0.03 0.00 0.00 46.19 43.73 1pzz s LEU 131 CO 0.32 -0.31 -0.20 -0.36 0.23 0.00 0.00 176.35 176.03 1pzz s PHE 132 N 2.32 2.02 -0.08 0.29 0.40 -0.23 -1.53 117.98 121.17 1pzz s PHE 132 Ca 0.21 -0.43 -0.00 0.00 -0.60 0.00 0.00 56.93 56.11 1pzz s PHE 132 Cb -0.16 -0.97 0.02 0.00 0.51 0.00 0.00 43.02 42.43 1pzz s PHE 132 CO 0.10 0.45 -0.05 -1.17 0.70 0.00 0.00 175.22 175.25 1pzz s LEU 133 N -2.88 1.02 -0.61 -0.37 2.96 -0.10 -0.38 118.68 118.32 1pzz s LEU 133 Ca 0.20 -0.19 -0.27 0.00 -0.22 0.00 0.00 54.13 53.65 1pzz s LEU 133 Cb -0.06 -0.63 0.03 0.00 0.50 0.00 0.00 46.19 46.04 1pzz s LEU 133 CO 0.09 -0.12 1.14 -2.16 -1.32 0.00 0.00 176.35 173.98 1pzz s PRO 134 N 1.59 3.38 -0.01 0.98 0.04 -1.26 -1.52 135.00 138.20 1pzz s PRO 134 Ca 0.01 -0.03 -0.12 0.00 0.04 0.00 0.00 61.00 60.90 1pzz s PRO 134 Cb -0.13 -4.07 -0.05 0.00 0.04 0.00 0.00 34.50 30.29 1pzz s PRO 134 CO -0.05 -1.75 0.34 -0.51 0.04 0.00 0.00 177.00 175.08 1pzz s LEU 135 N 4.86 4.43 0.74 -3.56 1.43 -0.11 -4.88 118.68 121.58 1pzz s LEU 135 Ca 0.37 0.80 -0.15 0.00 -1.03 0.00 0.00 54.13 54.13 1pzz s LEU 135 Cb -0.09 -2.57 0.05 0.00 0.03 0.00 0.00 46.19 43.60 1pzz s LEU 135 CO 0.21 0.31 1.20 -2.16 0.23 0.00 0.00 176.35 176.13 1pzz s PRO 136 N -1.29 2.09 0.00 1.29 0.04 -1.26 -0.38 135.00 135.49 1pzz s PRO 136 Ca 0.24 1.72 0.32 0.00 0.04 0.00 0.00 61.00 63.32 1pzz s PRO 136 Cb -0.15 -1.83 1.84 0.00 0.04 0.00 0.00 34.50 34.40 1pzz s PRO 136 CO 0.13 -1.86 2.19 1.33 0.04 0.00 0.00 177.00 178.82