#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 2.22 -2.88 -1.40 7.35 -1.26 -5.00 117.46 116.48 1pzz n PHE 1 Ca 0.00 -2.32 -0.42 0.00 -0.76 0.00 0.00 57.45 53.95 1pzz n PHE 1 Cb 0.00 -0.28 -0.04 0.00 0.35 0.00 0.00 39.48 39.51 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 -3.63 6.69 0.07 -2.13 0.01 -1.26 -5.03 114.94 109.66 1pzz s ASN 2 Ca 0.41 0.66 0.01 0.00 -0.71 0.00 0.00 52.86 53.24 1pzz s ASN 2 Cb 0.38 -2.43 -0.04 0.00 0.41 0.00 0.00 41.25 39.57 1pzz s ASN 2 CO -0.01 -0.70 0.14 -0.76 -1.51 0.00 0.00 177.10 174.26 1pzz s LEU 3 N 3.14 4.07 0.67 0.60 1.43 -1.26 -0.75 118.68 126.59 1pzz s LEU 3 Ca 0.35 0.13 -0.11 0.00 -1.03 0.00 0.00 54.13 53.47 1pzz s LEU 3 Cb -0.13 -2.70 -0.01 0.00 0.03 0.00 0.00 46.19 43.38 1pzz s LEU 3 CO 0.14 0.17 1.05 -2.16 0.23 0.00 0.00 176.35 175.79 1pzz s PRO 4 N -2.43 3.14 0.00 1.29 0.04 -1.26 -4.58 135.00 131.20 1pzz s PRO 4 Ca 0.32 0.82 0.00 0.00 0.04 0.00 0.00 61.00 62.18 1pzz s PRO 4 Cb -0.13 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.39 1pzz s PRO 4 CO 0.25 -0.92 0.00 -0.35 0.04 0.00 0.00 177.00 176.01 1pzz n PRO 5 N -2.99 1.34 -0.79 0.56 -0.04 -1.26 -4.98 135.00 126.84 1pzz n PRO 5 Ca 0.07 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.63 1pzz n PRO 5 Cb 0.54 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.96 1pzz n PRO 5 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1pzz n GLY 6 N 5.00 -2.64 0.00 0.55 0.00 -1.26 -5.04 105.19 101.79 1pzz n GLY 6 Ca 0.00 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.76 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 -3.40 1.55 -0.60 1.61 0.23 -1.26 -5.06 115.26 108.32 1pzz n ASN 7 Ca -0.03 -0.69 0.09 0.00 -0.53 0.00 0.00 54.58 53.42 1pzz n ASN 7 Cb 0.37 0.00 0.22 0.00 -2.08 0.00 0.00 39.78 38.29 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 0.00 0.61 -0.11 -2.53 4.01 -1.26 -4.75 117.16 113.13 1pzz n TYR 8 Ca 0.00 -0.91 -0.09 0.00 -0.16 0.00 0.00 57.90 56.74 1pzz n TYR 8 Cb 0.00 -0.25 -0.01 0.00 -0.31 0.00 0.00 39.34 38.77 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 1.18 0.50 -6.25 -0.72 1.57 -1.97 -3.44 116.57 107.43 1pzz h LYS 9 Ca 0.00 -0.05 -0.58 0.00 -1.87 0.00 0.00 60.65 58.16 1pzz h LYS 9 Cb 1.28 -0.10 -0.11 0.00 0.08 0.00 0.00 32.23 33.38 1pzz h LYS 9 CO 0.14 0.38 -0.67 0.15 -0.57 0.00 0.00 179.45 178.88 1pzz s LYS 10 N -5.98 2.19 0.94 3.15 1.02 -1.26 -5.10 119.74 114.70 1pzz s LYS 10 Ca -0.13 -1.42 -0.12 0.00 0.02 0.00 0.00 55.97 54.32 1pzz s LYS 10 Cb 0.10 -2.12 0.16 0.00 -0.52 0.00 0.00 37.83 35.44 1pzz s LYS 10 CO 0.72 0.38 1.09 -1.25 -0.92 0.00 0.00 175.35 175.37 1pzz s PRO 11 N -3.49 0.85 0.20 -1.68 0.04 -1.26 -4.73 135.00 124.92 1pzz s PRO 11 Ca 0.30 0.91 -0.05 0.00 0.04 0.00 0.00 61.00 62.21 1pzz s PRO 11 Cb -0.07 -1.75 -0.03 0.00 0.04 0.00 0.00 34.50 32.69 1pzz s PRO 11 CO 0.19 -2.55 0.22 0.15 0.04 0.00 0.00 177.00 175.05 1pzz s LYS 12 N -4.82 1.24 -0.11 4.56 -0.14 0.17 -4.21 119.74 116.43 1pzz s LYS 12 Ca 0.65 -1.45 -0.02 0.00 -1.36 0.00 0.00 55.97 53.78 1pzz s LYS 12 Cb -0.20 0.33 -0.03 0.00 -1.68 0.00 0.00 37.83 36.25 1pzz s LYS 12 CO 0.58 -0.43 -0.03 -0.51 -0.76 0.00 0.00 175.35 174.20 1pzz s LEU 13 N -3.09 3.33 -0.68 3.17 1.43 0.43 -0.85 118.68 122.42 1pzz s LEU 13 Ca 0.30 -0.02 -0.14 0.00 -1.03 0.00 0.00 54.13 53.25 1pzz s LEU 13 Cb 0.05 -1.77 0.18 0.00 0.03 0.00 0.00 46.19 44.67 1pzz s LEU 13 CO 0.08 0.28 0.62 -0.76 0.23 0.00 0.00 176.35 176.81 1pzz s LEU 14 N -0.33 6.40 -0.07 1.79 1.43 -1.26 -0.38 118.68 126.27 1pzz s LEU 14 Ca 0.06 -2.30 -0.29 0.00 -1.03 0.00 0.00 54.13 50.56 1pzz s LEU 14 Cb -0.12 -2.18 -0.02 0.00 0.03 0.00 0.00 46.19 43.90 1pzz s LEU 14 CO 0.02 -0.68 0.98 -0.47 0.23 0.00 0.00 176.35 176.43 1pzz s TYR 15 N 0.78 3.57 -0.27 0.29 5.04 -0.67 -1.27 117.35 124.81 1pzz s TYR 15 Ca 0.11 1.61 -0.13 0.00 -2.44 0.00 0.00 57.07 56.23 1pzz s TYR 15 Cb -0.19 -3.14 -0.04 0.00 0.35 0.00 0.00 41.96 38.93 1pzz s TYR 15 CO -0.04 -0.13 0.28 0.00 -1.34 0.00 0.00 175.55 174.32 1pzz h SER 17 N 8.23 0.24 0.00 0.00 0.87 -1.59 0.18 113.55 121.48 1pzz h SER 17 Ca -0.34 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.23 1pzz h SER 17 Cb 1.18 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.09 1pzz h SER 17 CO 0.60 0.15 0.00 -3.20 -0.53 0.00 0.00 176.83 173.85 1pzz n ASN 18 N -4.45 0.00 -0.68 6.23 5.15 -1.23 -4.04 115.26 116.23 1pzz n ASN 18 Ca 0.09 0.45 0.12 0.00 -0.60 0.00 0.00 54.58 54.63 1pzz n ASN 18 Cb 0.41 0.00 0.16 0.00 -0.53 0.00 0.00 39.78 39.81 1pzz n ASN 18 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1pzz n GLY 19 N -0.58 0.40 1.68 8.20 0.00 -1.24 -4.88 105.19 108.77 1pzz n GLY 19 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 1.35 0.50 3.88 -0.02 0.00 0.62 -5.02 105.19 106.51 1pzz n GLY 20 Ca 0.13 -0.70 -0.30 0.00 0.00 0.00 0.00 46.02 45.15 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 3.46 0.00 1.61 3.76 -1.22 -4.70 115.29 116.21 1pzz s HIS 21 Ca 0.00 0.90 -0.11 0.00 -0.15 0.00 0.00 55.06 55.70 1pzz s HIS 21 Cb 0.00 -2.31 -0.05 0.00 1.11 0.00 0.00 32.58 31.33 1pzz s HIS 21 CO 0.00 0.05 0.34 -0.06 -0.85 0.00 0.00 174.74 174.21 1pzz s PHE 22 N -2.18 3.64 0.23 1.40 0.08 0.20 0.10 117.98 121.45 1pzz s PHE 22 Ca 0.48 0.79 -0.30 0.00 0.12 0.00 0.00 56.93 58.02 1pzz s PHE 22 Cb -0.11 -2.14 -0.09 0.00 -0.57 0.00 0.00 43.02 40.11 1pzz s PHE 22 CO 0.29 0.62 1.38 -1.17 -0.10 0.00 0.00 175.22 176.24 1pzz s LEU 23 N -1.41 4.40 -0.06 -0.37 2.96 -0.40 -1.63 118.68 122.18 1pzz s LEU 23 Ca 0.25 2.54 0.02 0.00 -0.22 0.00 0.00 54.13 56.73 1pzz s LEU 23 Cb -0.15 -3.62 0.01 0.00 0.50 0.00 0.00 46.19 42.94 1pzz s LEU 23 CO 0.13 -0.62 -0.11 -0.60 -1.32 0.00 0.00 176.35 173.84 1pzz s ARG 24 N -0.27 1.46 -0.35 1.98 3.52 0.16 -4.49 118.95 120.96 1pzz s ARG 24 Ca 0.58 -0.35 -0.02 0.00 -0.13 0.00 0.00 55.73 55.81 1pzz s ARG 24 Cb -0.39 -1.25 0.08 0.00 -1.56 0.00 0.00 34.95 31.83 1pzz s ARG 24 CO 0.41 0.02 0.09 0.42 -0.81 0.00 0.00 175.30 175.44 1pzz s ILE 25 N 0.64 3.05 0.54 4.11 1.01 -0.95 -1.54 121.20 128.05 1pzz s ILE 25 Ca -0.13 -1.78 -0.18 0.00 0.00 0.00 0.00 60.65 58.57 1pzz s ILE 25 Cb -0.15 -2.95 -0.06 0.00 0.01 0.00 0.00 42.46 39.31 1pzz s ILE 25 CO 0.03 -0.42 1.03 -0.76 0.00 0.00 0.00 174.94 174.82 1pzz s LEU 26 N 1.17 3.66 0.38 2.97 1.43 -0.32 -4.84 118.68 123.13 1pzz s LEU 26 Ca 0.02 1.81 0.16 0.00 -1.03 0.00 0.00 54.13 55.09 1pzz s LEU 26 Cb -0.21 -4.54 1.03 0.00 0.03 0.00 0.00 46.19 42.50 1pzz s LEU 26 CO -0.03 -0.90 1.77 -0.65 0.23 0.00 0.00 176.35 176.77 1pzz h PRO 27 N 0.98 0.45 -0.00 1.29 0.11 -1.98 -0.18 132.00 132.67 1pzz h PRO 27 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1pzz h PRO 27 Cb 1.21 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1pzz h PRO 27 CO 0.59 0.30 0.00 -0.40 -0.21 0.00 0.00 178.00 178.27 1pzz n ASP 28 N -4.67 0.01 0.00 -2.05 5.75 -1.26 -4.86 116.55 109.46 1pzz n ASP 28 Ca 0.25 -1.49 0.00 0.00 -0.01 0.00 0.00 54.79 53.54 1pzz n ASP 28 Cb 0.81 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.90 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 0.76 0.43 3.77 6.12 0.00 -0.08 -4.98 105.19 111.21 1pzz n GLY 29 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.15 2.99 -0.04 2.61 2.01 -1.25 -0.90 115.64 118.91 1pzz s THR 30 Ca 0.00 0.70 0.02 0.00 0.31 0.00 0.00 61.69 62.72 1pzz s THR 30 Cb 0.00 -3.33 0.01 0.00 0.01 0.00 0.00 72.50 69.19 1pzz s THR 30 CO 0.00 -0.06 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.09 1pzz s VAL 31 N -1.59 0.88 0.00 3.82 1.01 -1.26 -1.18 120.40 122.08 1pzz s VAL 31 Ca 0.68 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 62.28 1pzz s VAL 31 Cb -0.28 -0.80 0.00 0.00 0.00 0.00 0.00 36.38 35.30 1pzz s VAL 31 CO 0.33 0.28 0.00 -0.90 0.00 0.00 0.00 175.10 174.81 1pzz n ASP 32 N 3.52 0.00 -4.23 3.32 5.68 -0.59 -4.51 116.55 119.75 1pzz n ASP 32 Ca -0.21 -0.08 -0.18 0.00 -0.50 0.00 0.00 54.79 53.82 1pzz n ASP 32 Cb 0.53 0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 40.40 1pzz n ASP 32 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 1pzz s GLY 33 N -0.12 1.04 -0.01 6.12 0.00 0.22 0.39 107.32 114.95 1pzz s GLY 33 Ca 0.00 -1.26 -0.05 0.00 0.00 0.00 0.00 44.72 43.41 1pzz s GLY 33 CO 0.00 -1.32 0.11 -1.08 0.00 0.00 0.00 173.10 170.81 1pzz s THR 34 N -2.11 0.06 -1.30 0.90 -1.32 -0.64 -4.80 115.64 106.42 1pzz s THR 34 Ca 0.08 -0.50 0.25 0.00 -1.21 0.00 0.00 61.69 60.30 1pzz s THR 34 Cb -0.05 -0.33 0.08 0.00 -1.51 0.00 0.00 72.50 70.68 1pzz s THR 34 CO 0.03 -0.28 1.41 0.54 -2.21 0.00 0.00 174.62 174.11 1pzz n ARG 35 N 1.96 0.34 -2.29 7.08 1.74 -1.26 -0.63 116.66 123.60 1pzz n ARG 35 Ca -0.20 -0.21 -0.40 0.00 -0.77 0.00 0.00 57.85 56.28 1pzz n ARG 35 Cb 0.57 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.48 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 -2.81 5.71 0.48 0.55 2.15 -1.26 -4.87 116.67 116.63 1pzz s ASP 36 Ca 0.16 -0.05 0.32 0.00 0.43 0.00 0.00 52.55 53.41 1pzz s ASP 36 Cb 0.18 -2.54 1.76 0.00 -0.30 0.00 0.00 42.92 42.02 1pzz s ASP 36 CO 0.65 -2.11 1.99 0.03 -0.17 0.00 0.00 175.17 175.55 1pzz h ARG 37 N 12.54 0.00 -0.06 4.34 3.08 -2.00 -1.73 114.38 130.55 1pzz h ARG 37 Ca -0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.78 1pzz h ARG 37 Cb 1.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.16 1pzz h ARG 37 CO 1.25 0.00 0.00 -1.13 -1.07 0.00 0.00 179.97 179.02 1pzz n SER 38 N -2.64 1.37 -4.77 7.04 3.41 -1.26 -4.92 113.62 111.85 1pzz n SER 38 Ca -0.02 -1.51 -0.41 0.00 -0.26 0.00 0.00 58.87 56.66 1pzz n SER 38 Cb 0.05 -0.03 -0.01 0.00 -0.26 0.00 0.00 64.21 63.96 1pzz n SER 38 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1pzz s ASP 39 N -1.86 6.49 0.00 4.04 -1.08 -0.65 -4.92 116.67 118.69 1pzz s ASP 39 Ca 0.37 2.91 0.19 0.00 -0.52 0.00 0.00 52.55 55.50 1pzz s ASP 39 Cb 0.20 -2.66 0.68 0.00 -1.46 0.00 0.00 42.92 39.69 1pzz s ASP 39 CO 0.31 -0.76 1.50 0.00 0.52 0.00 0.00 175.17 176.74 1pzz n GLN 40 N 0.81 1.75 -0.11 4.34 1.13 -1.26 -4.02 117.38 120.03 1pzz n GLN 40 Ca 0.02 -1.13 0.09 0.00 -1.94 0.00 0.00 57.00 54.04 1pzz n GLN 40 Cb 0.40 -1.38 0.14 0.00 0.11 0.00 0.00 30.24 29.52 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 0.36 0.10 0.60 1.08 8.25 -1.26 -4.53 115.22 119.82 1pzz n HIS 41 Ca 0.16 -0.95 0.07 0.00 -0.26 0.00 0.00 57.72 56.73 1pzz n HIS 41 Cb 0.33 -0.16 0.02 0.00 1.12 0.00 0.00 29.99 31.30 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 -1.27 0.00 -2.73 1.59 -5.35 -1.26 -2.24 119.36 108.10 1pzz n ILE 42 Ca 0.16 -0.41 -0.43 0.00 -0.27 0.00 0.00 62.75 61.80 1pzz n ILE 42 Cb 0.64 1.21 -0.03 0.00 -1.74 0.00 0.00 39.64 39.73 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 -1.50 4.19 -0.03 6.28 1.11 -1.26 -4.50 119.66 123.96 1pzz s GLN 43 Ca 0.13 1.16 0.06 0.00 0.01 0.00 0.00 55.36 56.72 1pzz s GLN 43 Cb 0.11 -3.66 -0.01 0.00 -1.01 0.00 0.00 33.01 28.44 1pzz s GLN 43 CO 0.28 -0.66 -0.21 -0.51 0.01 0.00 0.00 175.29 174.20 1pzz s LEU 44 N 3.18 2.02 -0.20 2.90 1.43 -0.02 -1.64 118.68 126.34 1pzz s LEU 44 Ca 0.41 -0.40 -0.05 0.00 -1.03 0.00 0.00 54.13 53.06 1pzz s LEU 44 Cb -0.14 -1.11 -0.03 0.00 0.03 0.00 0.00 46.19 44.94 1pzz s LEU 44 CO 0.08 0.24 0.01 -1.58 0.23 0.00 0.00 176.35 175.33 1pzz s GLN 45 N -0.36 3.64 0.03 1.70 2.00 0.16 0.46 119.66 127.29 1pzz s GLN 45 Ca 0.05 -0.51 -0.01 0.00 -2.00 0.00 0.00 55.36 52.89 1pzz s GLN 45 Cb -0.09 -3.11 -0.04 0.00 0.80 0.00 0.00 33.01 30.57 1pzz s GLN 45 CO 0.00 0.00 0.18 -0.51 -0.50 0.00 0.00 175.29 174.47 1pzz s LEU 46 N 1.03 4.28 -0.01 3.68 1.02 -1.26 -1.30 118.68 126.12 1pzz s LEU 46 Ca 0.02 0.27 -0.02 0.00 0.02 0.00 0.00 54.13 54.42 1pzz s LEU 46 Cb -0.14 -2.73 0.00 0.00 0.02 0.00 0.00 46.19 43.34 1pzz s LEU 46 CO 0.02 0.22 0.05 -0.94 0.02 0.00 0.00 176.35 175.71 1pzz s SER 47 N -2.21 -0.01 -0.12 2.29 1.04 -1.03 -4.74 113.70 108.92 1pzz s SER 47 Ca 0.31 0.00 -0.22 0.00 0.48 0.00 0.00 55.95 56.52 1pzz s SER 47 Cb -0.13 0.12 -0.03 0.00 0.10 0.00 0.00 66.02 66.08 1pzz s SER 47 CO 0.23 -0.08 0.64 0.00 0.98 0.00 0.00 173.24 175.01 1pzz s ALA 48 N -0.28 3.43 -0.17 5.32 0.00 -1.26 -1.58 121.76 127.22 1pzz s ALA 48 Ca -0.03 -0.04 -0.02 0.00 0.00 0.00 0.00 51.96 51.86 1pzz s ALA 48 Cb -0.02 -2.91 -0.23 0.00 0.00 0.00 0.00 23.12 19.96 1pzz s ALA 48 CO 0.00 -0.23 0.16 -1.91 0.00 0.00 0.00 175.76 173.78 1pzz n GLU 49 N 4.17 0.71 -4.00 0.00 4.07 -0.24 -4.99 120.64 120.36 1pzz n GLU 49 Ca -0.02 0.22 -0.10 0.00 -0.06 0.00 0.00 57.16 57.20 1pzz n GLU 49 Cb 0.51 -1.64 -0.07 0.00 -0.06 0.00 0.00 31.44 30.18 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 -6.78 0.01 0.10 4.31 0.01 -1.23 -5.03 113.70 105.09 1pzz s SER 50 Ca -0.26 -0.96 -0.31 0.00 1.31 0.00 0.00 55.95 55.73 1pzz s SER 50 Cb 0.07 0.48 -0.11 0.00 0.21 0.00 0.00 66.02 66.68 1pzz s SER 50 CO 0.71 -0.97 1.86 -3.20 0.41 0.00 0.00 173.24 172.05 1pzz n ASN 51 N -0.28 4.00 0.00 2.44 5.15 -1.26 -1.01 115.26 124.30 1pzz n ASN 51 Ca -0.04 0.98 0.00 0.00 -0.60 0.00 0.00 54.58 54.91 1pzz n ASN 51 Cb 0.63 -1.53 0.00 0.00 -0.53 0.00 0.00 39.78 38.35 1pzz n ASN 51 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1pzz n GLY 52 N 4.27 2.10 3.56 8.20 0.00 -1.26 -5.02 105.19 117.03 1pzz n GLY 52 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.18 3.28 0.14 1.61 2.02 -0.18 -0.85 118.70 124.55 1pzz s GLU 53 Ca 0.00 -0.51 0.00 0.00 0.02 0.00 0.00 54.97 54.49 1pzz s GLU 53 Cb 0.00 -2.80 -0.04 0.00 0.10 0.00 0.00 34.13 31.39 1pzz s GLU 53 CO 0.00 0.45 0.02 0.14 0.02 0.00 0.00 175.26 175.89 1pzz s VAL 54 N -0.21 0.41 0.10 2.63 -7.23 -0.12 -1.08 120.40 114.91 1pzz s VAL 54 Ca 0.04 -1.94 0.06 0.00 -1.81 0.00 0.00 61.98 58.33 1pzz s VAL 54 Cb -0.13 -2.03 -0.04 0.00 0.56 0.00 0.00 36.38 34.74 1pzz s VAL 54 CO 0.02 -0.52 -0.08 -0.31 -0.31 0.00 0.00 175.10 173.90 1pzz s TYR 55 N -3.83 2.79 -0.21 2.82 2.02 -0.61 -1.70 117.35 118.63 1pzz s TYR 55 Ca 0.22 -0.13 0.00 0.00 -0.37 0.00 0.00 57.07 56.80 1pzz s TYR 55 Cb 0.07 -1.46 0.05 0.00 -0.40 0.00 0.00 41.96 40.22 1pzz s TYR 55 CO 0.02 0.43 -0.06 0.42 -1.57 0.00 0.00 175.55 174.78 1pzz s ILE 56 N -1.21 1.41 -0.02 2.71 1.01 -1.26 -2.47 121.20 121.36 1pzz s ILE 56 Ca 0.22 -0.98 0.07 0.00 0.00 0.00 0.00 60.65 59.96 1pzz s ILE 56 Cb -0.11 -1.61 -0.02 0.00 0.01 0.00 0.00 42.46 40.73 1pzz s ILE 56 CO 0.14 0.03 -0.24 -0.75 0.00 0.00 0.00 174.94 174.12 1pzz s LYS 57 N 1.47 1.97 0.06 2.79 2.20 -0.42 0.12 119.74 127.94 1pzz s LYS 57 Ca -0.03 -0.86 -0.31 0.00 -0.36 0.00 0.00 55.97 54.42 1pzz s LYS 57 Cb -0.17 -1.90 -0.06 0.00 -1.51 0.00 0.00 37.83 34.19 1pzz s LYS 57 CO -0.07 0.51 1.34 0.45 -0.36 0.00 0.00 175.35 177.22 1pzz s SER 58 N -0.55 6.90 0.33 1.43 0.15 -0.16 0.41 113.70 122.20 1pzz s SER 58 Ca 0.09 2.16 0.17 0.00 0.70 0.00 0.00 55.95 59.07 1pzz s SER 58 Cb -0.09 -2.57 0.31 0.00 -1.71 0.00 0.00 66.02 61.95 1pzz s SER 58 CO -0.01 -0.63 1.56 0.71 1.20 0.00 0.00 173.24 176.07 1pzz h THR 59 N 4.57 0.77 0.04 6.45 1.35 -1.66 -0.44 112.91 123.99 1pzz h THR 59 Ca -0.40 -1.88 -0.25 0.00 -0.55 0.00 0.00 66.41 63.33 1pzz h THR 59 Cb 1.20 2.22 0.02 0.00 -1.73 0.00 0.00 68.15 69.86 1pzz h THR 59 CO 0.87 0.41 -1.00 -0.08 -0.25 0.00 0.00 175.52 175.47 1pzz h GLU 60 N 0.00 0.60 0.00 4.72 4.57 -1.81 -3.39 114.58 119.27 1pzz h GLU 60 Ca -0.00 -0.70 0.00 0.00 -1.18 0.00 0.00 59.36 57.47 1pzz h GLU 60 Cb 1.19 0.21 0.00 0.00 -0.16 0.00 0.00 28.75 29.99 1pzz h GLU 60 CO 0.05 1.29 -0.85 0.25 -1.18 0.00 0.00 179.01 178.58 1pzz n THR 61 N -3.93 0.00 -0.62 0.32 -2.24 -1.24 -5.00 114.28 101.57 1pzz n THR 61 Ca -0.12 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 1pzz n THR 61 Cb 0.87 0.67 0.00 0.00 -2.10 0.00 0.00 70.33 69.77 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 1.60 1.25 3.77 3.38 0.00 -0.18 -5.02 105.19 110.00 1pzz n GLY 62 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.20 3.84 -0.12 1.61 -0.21 -1.26 -4.72 119.66 118.61 1pzz s GLN 63 Ca 0.00 1.74 -0.09 0.00 0.02 0.00 0.00 55.36 57.03 1pzz s GLN 63 Cb 0.00 -2.45 -0.04 0.00 1.00 0.00 0.00 33.01 31.52 1pzz s GLN 63 CO 0.00 -0.47 0.20 0.71 -2.12 0.00 0.00 175.29 173.61 1pzz s TYR 64 N -1.55 3.58 0.28 0.91 1.51 0.15 -0.99 117.35 121.24 1pzz s TYR 64 Ca 0.62 0.58 -0.29 0.00 -1.01 0.00 0.00 57.07 56.97 1pzz s TYR 64 Cb -0.28 -2.07 -0.10 0.00 -0.11 0.00 0.00 41.96 39.40 1pzz s TYR 64 CO 0.34 0.60 1.26 -1.17 -1.11 0.00 0.00 175.55 175.47 1pzz s LEU 65 N -0.66 4.45 0.04 -1.29 2.96 0.12 0.15 118.68 124.45 1pzz s LEU 65 Ca 0.15 2.51 -0.16 0.00 -0.22 0.00 0.00 54.13 56.42 1pzz s LEU 65 Cb -0.13 -3.63 0.03 0.00 0.50 0.00 0.00 46.19 42.96 1pzz s LEU 65 CO 0.04 -0.44 0.35 0.00 -1.32 0.00 0.00 176.35 174.99 1pzz s ALA 66 N -0.80 -0.82 -0.15 5.97 0.00 -0.05 -4.39 121.76 121.51 1pzz s ALA 66 Ca 0.50 0.15 0.01 0.00 0.00 0.00 0.00 51.96 52.62 1pzz s ALA 66 Cb -0.37 0.32 0.01 0.00 0.00 0.00 0.00 23.12 23.08 1pzz s ALA 66 CO 0.46 -0.42 -0.19 1.41 0.00 0.00 0.00 175.76 177.02 1pzz s MET 67 N -2.46 3.10 0.97 0.00 1.75 -0.71 -0.22 119.30 121.73 1pzz s MET 67 Ca -0.05 -0.80 -0.16 0.00 -1.25 0.00 0.00 55.69 53.42 1pzz s MET 67 Cb -0.01 -2.54 0.21 0.00 2.84 0.00 0.00 34.83 35.32 1pzz s MET 67 CO -0.03 -0.04 1.33 0.16 -0.65 0.00 0.00 175.02 175.80 1pzz s ASP 68 N 0.90 3.02 0.62 1.11 1.47 -0.09 -4.78 116.67 118.92 1pzz s ASP 68 Ca -0.04 0.25 0.33 0.00 1.18 0.00 0.00 52.55 54.27 1pzz s ASP 68 Cb -0.15 -0.27 1.88 0.00 -0.34 0.00 0.00 42.92 44.04 1pzz s ASP 68 CO -0.03 -2.79 2.17 0.00 0.68 0.00 0.00 175.17 175.20 1pzz h THR 69 N -1.68 0.29 -0.47 2.11 1.03 -2.00 -0.49 112.91 111.70 1pzz h THR 69 Ca -0.44 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 65.96 1pzz h THR 69 Cb 1.23 0.88 0.00 0.00 -1.07 0.00 0.00 68.15 69.19 1pzz h THR 69 CO 0.37 0.00 0.00 0.47 -0.01 0.00 0.00 175.52 176.35 1pzz n ASP 70 N -3.50 4.87 -0.00 0.00 8.00 -1.26 -4.96 116.55 119.71 1pzz n ASP 70 Ca -0.01 -2.87 -0.00 0.00 0.71 0.00 0.00 54.79 52.62 1pzz n ASP 70 Cb 0.23 -0.61 -0.00 0.00 -0.02 0.00 0.00 41.12 40.72 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 0.29 0.49 3.75 0.44 0.00 -0.19 -4.61 105.19 105.36 1pzz n GLY 71 Ca 0.25 -0.01 -0.38 0.00 0.00 0.00 0.00 46.02 45.88 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 4.35 0.31 0.99 1.43 -1.26 -0.42 118.68 124.08 1pzz s LEU 72 Ca 0.00 0.97 -0.28 0.00 -1.03 0.00 0.00 54.13 53.79 1pzz s LEU 72 Cb 0.00 -2.78 -0.09 0.00 0.03 0.00 0.00 46.19 43.34 1pzz s LEU 72 CO 0.00 0.06 1.07 -0.76 0.23 0.00 0.00 176.35 176.95 1pzz s LEU 73 N 0.17 4.44 0.19 1.79 1.43 -1.26 -0.92 118.68 124.53 1pzz s LEU 73 Ca 0.28 2.17 -0.11 0.00 -1.03 0.00 0.00 54.13 55.44 1pzz s LEU 73 Cb -0.16 -3.79 -0.00 0.00 0.03 0.00 0.00 46.19 42.26 1pzz s LEU 73 CO 0.13 -0.22 0.38 -0.72 0.23 0.00 0.00 176.35 176.15 1pzz s TYR 74 N -1.31 0.30 -0.28 0.29 1.13 0.69 -4.47 117.35 113.70 1pzz s TYR 74 Ca 0.48 -0.66 -0.11 0.00 -1.41 0.00 0.00 57.07 55.37 1pzz s TYR 74 Cb -0.28 0.08 -0.05 0.00 -1.10 0.00 0.00 41.96 40.61 1pzz s TYR 74 CO 0.36 -0.82 0.19 0.20 -2.51 0.00 0.00 175.55 172.97 1pzz s GLY 75 N -2.97 1.93 -0.12 5.49 0.00 -0.08 -0.87 107.32 110.70 1pzz s GLY 75 Ca 0.17 -1.09 -0.08 0.00 0.00 0.00 0.00 44.72 43.73 1pzz s GLY 75 CO 0.02 0.65 0.16 -0.45 0.00 0.00 0.00 173.10 173.47 1pzz s SER 76 N 1.75 6.40 0.29 1.64 0.15 0.12 -4.69 113.70 119.36 1pzz s SER 76 Ca 0.07 0.48 0.12 0.00 0.70 0.00 0.00 55.95 57.32 1pzz s SER 76 Cb -0.16 -2.09 0.41 0.00 -1.71 0.00 0.00 66.02 62.48 1pzz s SER 76 CO 0.11 0.37 1.63 1.56 1.20 0.00 0.00 173.24 178.11 1pzz h GLN 77 N 5.18 0.00 -5.31 5.44 1.08 -1.91 0.44 115.11 120.03 1pzz h GLN 77 Ca -0.53 0.00 -0.40 0.00 -1.45 0.00 0.00 58.65 56.27 1pzz h GLN 77 Cb 1.22 0.00 -0.20 0.00 -0.05 0.00 0.00 27.48 28.45 1pzz h GLN 77 CO 0.61 0.57 -0.77 0.95 -0.95 0.00 0.00 178.83 179.24 1pzz s THR 78 N -3.59 1.16 0.12 -0.54 -4.23 -1.26 -4.81 115.64 102.49 1pzz s THR 78 Ca -0.01 -1.50 -0.30 0.00 -1.18 0.00 0.00 61.69 58.70 1pzz s THR 78 Cb 0.12 -1.27 -0.07 0.00 1.34 0.00 0.00 72.50 72.62 1pzz s THR 78 CO 0.75 -0.34 1.21 -2.16 -0.54 0.00 0.00 174.62 173.53 1pzz s PRO 79 N -2.21 4.46 0.35 3.99 0.04 -1.26 -4.87 135.00 135.49 1pzz s PRO 79 Ca 0.03 1.83 0.02 0.00 0.04 0.00 0.00 61.00 62.92 1pzz s PRO 79 Cb -0.07 -3.29 -0.01 0.00 0.04 0.00 0.00 34.50 31.17 1pzz s PRO 79 CO 0.02 -0.18 0.41 0.27 0.04 0.00 0.00 177.00 177.56 1pzz n ASN 80 N 3.23 -1.11 0.33 6.66 0.23 -1.26 -5.03 115.26 118.32 1pzz n ASN 80 Ca 0.07 -3.06 0.22 0.00 -0.53 0.00 0.00 54.58 51.27 1pzz n ASN 80 Cb 0.45 2.22 1.16 0.00 -2.08 0.00 0.00 39.78 41.53 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 9.09 -1.99 -0.56 114.58 117.29 1pzz h GLU 81 Ca -0.26 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.15 1pzz h GLU 81 Cb 1.22 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.32 1pzz h GLU 81 CO 0.36 0.00 0.00 0.39 0.05 0.00 0.00 179.01 179.81 1pzz n GLU 82 N -3.07 0.15 0.00 1.06 1.02 -1.26 -3.42 120.64 115.12 1pzz n GLU 82 Ca -0.03 0.03 0.12 0.00 -0.02 0.00 0.00 57.16 57.27 1pzz n GLU 82 Cb 0.10 -1.50 0.20 0.00 -0.02 0.00 0.00 31.44 30.22 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 -2.53 4.39 0.03 0.00 1.43 -1.22 -4.45 118.68 116.34 1pzz s LEU 84 Ca 0.21 1.05 0.05 0.00 -1.03 0.00 0.00 54.13 54.41 1pzz s LEU 84 Cb 0.19 -2.82 -0.02 0.00 0.03 0.00 0.00 46.19 43.56 1pzz s LEU 84 CO 0.56 0.11 -0.14 -0.36 0.23 0.00 0.00 176.35 176.75 1pzz s PHE 85 N -0.12 1.21 -0.44 0.29 0.08 -0.69 -1.62 117.98 116.69 1pzz s PHE 85 Ca 0.29 -0.34 -0.21 0.00 0.12 0.00 0.00 56.93 56.78 1pzz s PHE 85 Cb -0.17 -0.72 0.02 0.00 -0.57 0.00 0.00 43.02 41.58 1pzz s PHE 85 CO 0.15 0.03 0.66 -0.51 -0.10 0.00 0.00 175.22 175.45 1pzz s LEU 86 N -1.07 4.46 -0.31 -0.37 1.43 0.13 -0.94 118.68 122.01 1pzz s LEU 86 Ca 0.02 -0.30 -0.22 0.00 -1.03 0.00 0.00 54.13 52.60 1pzz s LEU 86 Cb -0.08 -2.76 -0.00 0.00 0.03 0.00 0.00 46.19 43.39 1pzz s LEU 86 CO 0.01 -0.79 0.72 -0.70 0.23 0.00 0.00 176.35 175.82 1pzz s GLU 87 N 2.87 3.91 0.12 1.70 2.12 -0.03 -1.79 118.70 127.60 1pzz s GLU 87 Ca 0.23 0.43 0.06 0.00 0.36 0.00 0.00 54.97 56.05 1pzz s GLU 87 Cb -0.14 -3.74 -0.04 0.00 0.26 0.00 0.00 34.13 30.48 1pzz s GLU 87 CO 0.19 -0.65 -0.14 1.03 -0.54 0.00 0.00 175.26 175.15 1pzz s ARG 88 N 2.82 1.02 0.49 4.30 1.81 -0.53 -4.62 118.95 124.25 1pzz s ARG 88 Ca 0.29 -1.25 -0.19 0.00 -1.72 0.00 0.00 55.73 52.87 1pzz s ARG 88 Cb -0.14 -0.88 -0.08 0.00 -0.45 0.00 0.00 34.95 33.39 1pzz s ARG 88 CO 0.13 0.17 1.00 -1.17 -0.68 0.00 0.00 175.30 174.74 1pzz s LEU 89 N -2.48 3.75 -0.05 2.53 2.96 0.08 -0.66 118.68 124.80 1pzz s LEU 89 Ca 0.09 1.73 -0.05 0.00 -0.22 0.00 0.00 54.13 55.68 1pzz s LEU 89 Cb -0.05 -4.53 0.01 0.00 0.50 0.00 0.00 46.19 42.12 1pzz s LEU 89 CO 0.03 -0.65 0.14 -0.70 -1.32 0.00 0.00 176.35 173.85 1pzz s GLU 90 N -3.60 0.16 -1.25 1.98 2.56 -0.05 -4.82 118.70 113.68 1pzz s GLU 90 Ca 0.62 0.19 -0.06 0.00 0.00 0.00 0.00 54.97 55.73 1pzz s GLU 90 Cb -0.12 0.07 0.04 0.00 2.00 0.00 0.00 34.13 36.13 1pzz s GLU 90 CO 0.24 -0.02 0.36 0.39 -0.56 0.00 0.00 175.26 175.67 1pzz n GLU 91 N 3.02 -3.26 -2.15 4.30 1.02 -1.26 -0.99 120.64 121.32 1pzz n GLU 91 Ca -0.13 0.57 -0.16 0.00 -0.02 0.00 0.00 57.16 57.42 1pzz n GLU 91 Cb 0.59 -5.26 -0.02 0.00 -0.02 0.00 0.00 31.44 26.72 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 -2.17 -4.62 0.00 1.62 4.13 -1.26 -4.63 115.26 108.32 1pzz n ASN 92 Ca -0.07 0.19 0.00 0.00 1.68 0.00 0.00 54.58 56.38 1pzz n ASN 92 Cb 0.57 -3.97 0.00 0.00 -1.54 0.00 0.00 39.78 34.85 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 -3.21 -1.36 -2.37 3.10 -0.00 -0.16 -5.15 115.22 106.07 1pzz n HIS 93 Ca -0.18 0.00 -0.24 0.00 -0.00 0.00 0.00 57.72 57.29 1pzz n HIS 93 Cb 0.61 0.37 0.05 0.00 -0.00 0.00 0.00 29.99 31.02 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 -1.73 2.93 -0.09 1.57 2.02 -0.20 -4.85 117.35 117.00 1pzz s TYR 94 Ca 0.00 0.32 -0.01 0.00 -0.37 0.00 0.00 57.07 57.00 1pzz s TYR 94 Cb 0.00 -3.01 -0.03 0.00 -0.40 0.00 0.00 41.96 38.52 1pzz s TYR 94 CO 0.00 -1.18 -0.03 -0.80 -1.57 0.00 0.00 175.55 171.97 1pzz s ASN 95 N -4.47 4.94 0.14 2.29 -0.87 0.44 -0.88 114.94 116.53 1pzz s ASN 95 Ca 0.58 0.03 0.08 0.00 -1.57 0.00 0.00 52.86 51.98 1pzz s ASN 95 Cb -0.11 -1.43 -0.04 0.00 -0.02 0.00 0.00 41.25 39.66 1pzz s ASN 95 CO 0.43 0.33 -0.17 0.42 -2.57 0.00 0.00 177.10 175.53 1pzz s THR 96 N -0.59 1.63 -0.20 1.60 -4.23 0.16 -1.24 115.64 112.77 1pzz s THR 96 Ca 0.09 -1.76 -0.01 0.00 -1.18 0.00 0.00 61.69 58.83 1pzz s THR 96 Cb -0.12 -1.66 0.06 0.00 1.34 0.00 0.00 72.50 72.11 1pzz s THR 96 CO 0.02 -0.29 -0.01 -0.31 -0.54 0.00 0.00 174.62 173.49 1pzz s TYR 97 N -1.87 1.58 -0.18 3.99 2.02 -1.26 -1.45 117.35 120.18 1pzz s TYR 97 Ca 0.11 -1.18 -0.10 0.00 -0.37 0.00 0.00 57.07 55.53 1pzz s TYR 97 Cb -0.06 -1.25 -0.05 0.00 -0.40 0.00 0.00 41.96 40.20 1pzz s TYR 97 CO 0.05 -0.66 0.14 0.42 -1.57 0.00 0.00 175.55 173.93 1pzz s ILE 98 N 1.67 5.42 0.00 2.71 1.01 -0.74 -0.76 121.20 130.52 1pzz s ILE 98 Ca -0.02 0.22 -0.30 0.00 0.00 0.00 0.00 60.65 60.55 1pzz s ILE 98 Cb -0.17 -3.47 -0.08 0.00 0.01 0.00 0.00 42.46 38.74 1pzz s ILE 98 CO -0.07 0.48 2.01 -0.55 0.00 0.00 0.00 174.94 176.81 1pzz s SER 99 N 0.05 6.30 0.14 3.58 0.15 -0.01 0.21 113.70 124.13 1pzz s SER 99 Ca 0.10 2.58 -0.17 0.00 0.70 0.00 0.00 55.95 59.16 1pzz s SER 99 Cb -0.11 -2.53 -0.01 0.00 -1.71 0.00 0.00 66.02 61.66 1pzz s SER 99 CO -0.00 -1.19 1.79 0.50 1.20 0.00 0.00 173.24 175.54 1pzz h LYS 100 N 11.26 0.45 -0.70 5.44 3.64 -1.62 0.39 116.57 135.44 1pzz h LYS 100 Ca -0.49 -0.03 0.08 0.00 -1.27 0.00 0.00 60.65 58.94 1pzz h LYS 100 Cb 1.24 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.92 1pzz h LYS 100 CO 0.94 0.32 0.46 -0.22 -2.27 0.00 0.00 179.45 178.68 1pzz h LYS 101 N 0.45 0.62 -0.18 1.90 1.63 -1.77 -2.40 116.57 116.83 1pzz h LYS 101 Ca 0.12 -0.04 -0.11 0.00 -0.85 0.00 0.00 60.65 59.78 1pzz h LYS 101 Cb -0.03 -0.14 -0.08 0.00 -0.60 0.00 0.00 32.23 31.38 1pzz h LYS 101 CO -0.03 0.41 -0.42 0.72 -3.45 0.00 0.00 179.45 176.69 1pzz n HIS 102 N -4.49 0.59 0.03 1.91 8.25 -0.84 -4.75 115.22 115.92 1pzz n HIS 102 Ca 0.11 -1.62 0.04 0.00 -0.26 0.00 0.00 57.72 55.98 1pzz n HIS 102 Cb 0.29 -0.33 0.43 0.00 1.12 0.00 0.00 29.99 31.50 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 1.14 1.70 0.00 -1.41 0.00 0.31 -1.89 119.26 119.09 1pzz h ALA 103 Ca 0.10 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1pzz h ALA 103 Cb 1.22 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1pzz h ALA 103 CO 0.19 0.27 -0.04 1.49 0.00 0.00 0.00 179.25 181.16 1pzz h GLU 104 N 0.48 0.00 -0.62 0.00 4.81 -1.85 -1.52 114.58 115.89 1pzz h GLU 104 Ca 0.13 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1pzz h GLU 104 Cb -0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1pzz h GLU 104 CO -0.02 0.04 0.00 1.63 -0.73 0.00 0.00 179.01 179.93 1pzz n LYS 105 N -4.13 2.64 -3.72 1.92 5.02 -0.72 -4.98 118.16 114.18 1pzz n LYS 105 Ca -0.03 -2.52 -0.23 0.00 -2.02 0.00 0.00 58.31 53.50 1pzz n LYS 105 Cb 0.13 -1.55 0.03 0.00 -0.02 0.00 0.00 35.03 33.61 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 1.60 -1.97 -4.59 4.39 4.13 -0.57 -4.94 115.26 113.31 1pzz n ASN 106 Ca 0.23 -0.89 -0.41 0.00 1.68 0.00 0.00 54.58 55.19 1pzz n ASN 106 Cb 0.62 -3.79 -0.07 0.00 -1.54 0.00 0.00 39.78 34.99 1pzz n ASN 106 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 1pzz s TRP 107 N -3.68 3.21 0.26 3.10 0.52 -1.22 -4.58 118.94 116.55 1pzz s TRP 107 Ca 0.11 0.48 0.07 0.00 0.02 0.00 0.00 56.10 56.78 1pzz s TRP 107 Cb -0.03 -2.93 -0.03 0.00 -1.15 0.00 0.00 33.47 29.32 1pzz s TRP 107 CO 0.83 -0.46 0.26 -0.06 0.02 0.00 0.00 176.95 177.54 1pzz s PHE 108 N 2.51 3.16 0.14 -1.98 0.40 -1.26 -0.83 117.98 120.12 1pzz s PHE 108 Ca 0.23 -0.12 -0.30 0.00 -0.60 0.00 0.00 56.93 56.14 1pzz s PHE 108 Cb -0.15 -1.52 -0.06 0.00 0.51 0.00 0.00 43.02 41.80 1pzz s PHE 108 CO 0.12 0.44 0.98 0.08 0.70 0.00 0.00 175.22 177.53 1pzz s VAL 109 N -2.13 4.35 -0.16 -0.44 1.01 0.06 -4.66 120.40 118.44 1pzz s VAL 109 Ca 0.35 2.01 -0.28 0.00 0.00 0.00 0.00 61.98 64.06 1pzz s VAL 109 Cb -0.08 -4.28 0.08 0.00 0.00 0.00 0.00 36.38 32.09 1pzz s VAL 109 CO 0.26 0.34 0.74 -0.83 0.00 0.00 0.00 175.10 175.61 1pzz s GLY 110 N -0.19 -0.52 -0.07 4.51 0.00 -1.26 -4.42 107.32 105.38 1pzz s GLY 110 Ca 0.46 1.73 0.06 0.00 0.00 0.00 0.00 44.72 46.97 1pzz s GLY 110 CO 0.31 1.33 -0.25 1.08 0.00 0.00 0.00 173.10 175.57 1pzz s LEU 111 N -0.48 2.09 0.67 0.66 1.43 -0.57 -0.34 118.68 122.15 1pzz s LEU 111 Ca -0.05 -0.51 -0.10 0.00 -1.03 0.00 0.00 54.13 52.44 1pzz s LEU 111 Cb -0.02 -1.39 0.01 0.00 0.03 0.00 0.00 46.19 44.82 1pzz s LEU 111 CO 0.05 0.23 1.03 -0.54 0.23 0.00 0.00 176.35 177.35 1pzz s LYS 112 N -0.07 2.91 0.56 1.70 1.02 -0.14 -4.38 119.74 121.33 1pzz s LYS 112 Ca -0.06 0.33 0.25 0.00 0.02 0.00 0.00 55.97 56.51 1pzz s LYS 112 Cb -0.15 -2.10 1.50 0.00 -0.52 0.00 0.00 37.83 36.56 1pzz s LYS 112 CO 0.05 -0.91 2.08 0.87 -0.92 0.00 0.00 175.35 176.52 1pzz h LYS 113 N -0.49 0.00 -0.10 1.68 1.57 -1.89 -0.33 116.57 117.01 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 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 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 -4.14 0.95 0.00 0.86 0.23 -1.26 -4.66 115.26 107.25 1pzz n ASN 114 Ca 0.03 -1.60 0.00 0.00 -0.53 0.00 0.00 54.58 52.48 1pzz n ASN 114 Cb 0.36 -0.06 0.00 0.00 -2.08 0.00 0.00 39.78 38.00 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 0.98 0.95 3.88 4.83 0.00 -0.13 -5.02 105.19 110.67 1pzz n GLY 115 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.02 6.60 0.60 1.61 1.04 -1.26 -0.61 113.70 118.66 1pzz s SER 116 Ca 0.00 0.79 -0.17 0.00 0.48 0.00 0.00 55.95 57.06 1pzz s SER 116 Cb 0.00 -2.18 -0.03 0.00 0.10 0.00 0.00 66.02 63.92 1pzz s SER 116 CO 0.00 0.04 1.10 0.00 0.98 0.00 0.00 173.24 175.36 1pzz s LYS 118 N -3.80 3.85 0.22 0.00 1.02 0.54 -4.79 119.74 116.78 1pzz s LYS 118 Ca 0.68 0.38 -0.21 0.00 0.02 0.00 0.00 55.97 56.85 1pzz s LYS 118 Cb -0.21 -2.57 -0.08 0.00 -0.52 0.00 0.00 37.83 34.45 1pzz s LYS 118 CO 0.35 0.24 0.75 0.50 -0.92 0.00 0.00 175.35 176.27 1pzz s ARG 119 N -2.97 4.33 0.11 1.68 3.52 -1.26 -4.67 118.95 119.68 1pzz s ARG 119 Ca 0.49 0.95 -0.21 0.00 -0.13 0.00 0.00 55.73 56.84 1pzz s ARG 119 Cb -0.11 -2.94 -0.05 0.00 -1.56 0.00 0.00 34.95 30.29 1pzz s ARG 119 CO 0.21 0.42 1.13 0.41 -0.81 0.00 0.00 175.30 176.66 1pzz n GLY 120 N 0.87 -2.05 0.34 8.12 0.00 0.44 -0.59 105.19 112.33 1pzz n GLY 120 Ca -0.03 0.85 0.18 0.00 0.00 0.00 0.00 46.02 47.03 1pzz n GLY 120 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1pzz h PRO 121 N 0.00 0.00 -0.01 1.61 0.11 -1.87 -1.16 132.00 130.68 1pzz h PRO 121 Ca 0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 1pzz h PRO 121 Cb 0.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.38 1pzz h PRO 121 CO -0.63 0.00 -0.11 0.54 -0.21 0.00 0.00 178.00 177.59 1pzz n ARG 122 N -3.38 0.96 -3.66 1.05 5.12 0.24 -4.88 116.66 112.12 1pzz n ARG 122 Ca 0.00 -0.43 -0.24 0.00 -1.93 0.00 0.00 57.85 55.25 1pzz n ARG 122 Cb 0.34 -1.49 -0.02 0.00 -1.16 0.00 0.00 32.46 30.13 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 -2.34 5.18 -0.16 0.55 -4.23 -0.44 -4.94 115.64 109.27 1pzz s THR 123 Ca 0.31 -0.60 -0.31 0.00 -1.18 0.00 0.00 61.69 59.91 1pzz s THR 123 Cb 0.20 -3.83 0.14 0.00 1.34 0.00 0.00 72.50 70.35 1pzz s THR 123 CO 0.45 -0.38 1.10 -1.38 -0.54 0.00 0.00 174.62 173.87 1pzz s HIS 124 N -2.09 -0.23 0.31 3.99 -3.43 -1.26 -4.82 115.29 107.76 1pzz s HIS 124 Ca 0.38 0.27 -0.28 0.00 -0.80 0.00 0.00 55.06 54.63 1pzz s HIS 124 Cb -0.10 0.50 -0.13 0.00 -1.43 0.00 0.00 32.58 31.42 1pzz s HIS 124 CO 0.32 -0.29 1.18 0.66 -2.00 0.00 0.00 174.74 174.61 1pzz n TYR 125 N 0.23 1.85 0.00 0.38 4.01 -1.26 -2.43 117.16 119.94 1pzz n TYR 125 Ca -0.05 0.61 0.00 0.00 -0.16 0.00 0.00 57.90 58.30 1pzz n TYR 125 Cb 0.59 -2.35 0.00 0.00 -0.31 0.00 0.00 39.34 37.27 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 1.07 1.34 3.88 2.72 0.00 -1.26 -5.08 105.19 107.86 1pzz n GLY 126 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.73 3.78 0.29 1.61 -0.21 -1.02 -4.97 119.66 118.42 1pzz s GLN 127 Ca 0.00 0.28 0.17 0.00 0.02 0.00 0.00 55.36 55.83 1pzz s GLN 127 Cb 0.00 -2.58 0.11 0.00 1.00 0.00 0.00 33.01 31.53 1pzz s GLN 127 CO 0.00 0.22 1.42 0.87 -2.12 0.00 0.00 175.29 175.68 1pzz h LYS 128 N 2.11 0.00 -0.39 2.91 1.57 -1.96 -3.29 116.57 117.51 1pzz h LYS 128 Ca -0.47 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 58.41 1pzz h LYS 128 Cb 1.18 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.47 1pzz h LYS 128 CO 0.67 0.36 0.28 0.00 -0.57 0.00 0.00 179.45 180.19 1pzz h ALA 129 N 1.62 2.30 -0.01 3.86 0.00 -1.94 -1.83 119.26 123.26 1pzz h ALA 129 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1pzz h ALA 129 Cb 1.30 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1pzz h ALA 129 CO 0.05 -0.40 -0.16 0.44 0.00 0.00 0.00 179.25 179.18 1pzz n ILE 130 N -4.44 0.00 -3.16 0.00 -5.35 -1.24 -1.51 119.36 103.67 1pzz n ILE 130 Ca 0.06 -0.18 -0.40 0.00 -0.27 0.00 0.00 62.75 61.96 1pzz n ILE 130 Cb 0.43 0.47 -0.07 0.00 -1.74 0.00 0.00 39.64 38.73 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 -2.30 4.07 0.19 7.28 1.43 -0.69 -4.46 118.68 124.20 1pzz s LEU 131 Ca 0.30 0.66 0.10 0.00 -1.03 0.00 0.00 54.13 54.15 1pzz s LEU 131 Cb 0.20 -2.79 -0.04 0.00 0.03 0.00 0.00 46.19 43.59 1pzz s LEU 131 CO 0.45 -0.32 -0.20 -0.36 0.23 0.00 0.00 176.35 176.14 1pzz s PHE 132 N 2.32 2.01 -0.14 0.29 0.40 -0.37 -1.85 117.98 120.64 1pzz s PHE 132 Ca 0.25 -0.43 -0.00 0.00 -0.60 0.00 0.00 56.93 56.15 1pzz s PHE 132 Cb -0.16 -0.98 0.03 0.00 0.51 0.00 0.00 43.02 42.42 1pzz s PHE 132 CO 0.09 0.42 -0.09 -0.51 0.70 0.00 0.00 175.22 175.84 1pzz s LEU 133 N -2.78 1.48 -0.33 -0.37 1.02 -0.11 -0.42 118.68 117.16 1pzz s LEU 133 Ca 0.19 -0.48 -0.29 0.00 0.02 0.00 0.00 54.13 53.58 1pzz s LEU 133 Cb -0.06 -0.96 0.02 0.00 0.02 0.00 0.00 46.19 45.21 1pzz s LEU 133 CO 0.08 -0.12 1.07 -2.16 0.02 0.00 0.00 176.35 175.24 1pzz s PRO 134 N 1.62 4.04 0.11 1.29 0.04 -1.26 -1.67 135.00 139.17 1pzz s PRO 134 Ca 0.03 1.03 0.03 0.00 0.04 0.00 0.00 61.00 62.14 1pzz s PRO 134 Cb -0.14 -3.75 -0.04 0.00 0.04 0.00 0.00 34.50 30.62 1pzz s PRO 134 CO -0.09 -0.92 0.12 -0.51 0.04 0.00 0.00 177.00 175.64 1pzz s LEU 135 N 3.67 3.86 0.69 -3.56 1.43 0.49 -4.88 118.68 120.39 1pzz s LEU 135 Ca 0.45 -0.02 -0.15 0.00 -1.03 0.00 0.00 54.13 53.37 1pzz s LEU 135 Cb -0.12 -2.51 0.02 0.00 0.03 0.00 0.00 46.19 43.61 1pzz s LEU 135 CO 0.16 0.13 1.18 -2.84 0.23 0.00 0.00 176.35 175.21 1pzz s PRO 136 N -2.68 2.45 0.00 1.29 0.02 -1.26 -0.43 135.00 134.39 1pzz s PRO 136 Ca 0.30 1.65 0.29 0.00 0.02 0.00 0.00 61.00 63.27 1pzz s PRO 136 Cb -0.11 -1.88 1.37 0.00 0.02 0.00 0.00 34.50 33.89 1pzz s PRO 136 CO 0.23 -1.57 1.93 1.33 -0.33 0.00 0.00 177.00 178.59