#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nzc n GLU 3 N 0.00 0.68 -1.64 -0.78 -0.58 -1.26 -4.99 120.64 112.08 1nzc n GLU 3 Ca 0.00 0.05 -0.45 0.00 -0.42 0.00 0.00 57.16 56.34 1nzc n GLU 3 Cb 0.00 -1.56 -0.02 0.00 -0.57 0.00 0.00 31.44 29.29 1nzc n GLU 3 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 1nzc n ASN 4 N -2.87 2.09 -0.03 1.62 6.94 -1.26 -4.93 115.26 116.82 1nzc n ASN 4 Ca -0.33 1.17 -0.13 0.00 -0.02 0.00 0.00 54.58 55.27 1nzc n ASN 4 Cb 1.12 -1.36 -0.08 0.00 -2.36 0.00 0.00 39.78 37.10 1nzc n ASN 4 CO 0.00 0.00 0.00 0.15 -1.03 0.00 0.00 177.26 176.38 1nzc h PHE 5 N 3.11 0.17 -2.82 -2.53 3.57 -1.97 -3.43 116.94 113.03 1nzc h PHE 5 Ca -0.43 -0.05 -0.64 0.00 3.53 0.00 0.00 57.97 60.38 1nzc h PHE 5 Cb 1.31 -0.04 -0.06 0.00 2.79 0.00 0.00 35.95 39.95 1nzc h PHE 5 CO 0.52 0.54 -0.36 -0.06 -2.23 0.00 0.00 178.31 176.72 1nzc s PHE 6 N -4.49 3.64 0.00 0.41 0.40 -1.26 -4.29 117.98 112.39 1nzc s PHE 6 Ca -0.15 0.71 0.00 0.00 -0.60 0.00 0.00 56.93 56.89 1nzc s PHE 6 Cb 0.04 -2.08 0.00 0.00 0.51 0.00 0.00 43.02 41.49 1nzc s PHE 6 CO 0.70 0.68 0.00 0.41 0.70 0.00 0.00 175.22 177.72 1nzc n GLY 7 N 1.77 0.50 3.76 4.36 0.00 -0.35 -4.91 105.19 110.32 1nzc n GLY 7 Ca -0.16 -0.70 -0.34 0.00 0.00 0.00 0.00 46.02 44.82 1nzc n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nzc s LYS 8 N -1.31 2.83 0.04 1.61 1.02 -1.26 -4.95 119.74 117.72 1nzc s LYS 8 Ca 0.00 1.51 -0.30 0.00 0.02 0.00 0.00 55.97 57.19 1nzc s LYS 8 Cb 0.00 -1.94 -0.04 0.00 -0.52 0.00 0.00 37.83 35.32 1nzc s LYS 8 CO 0.00 -1.24 1.06 0.99 -0.92 0.00 0.00 175.35 175.23 1nzc s THR 9 N -2.14 4.50 -0.07 2.17 2.01 -1.26 -3.91 115.64 116.93 1nzc s THR 9 Ca 0.70 1.83 -0.34 0.00 0.31 0.00 0.00 61.69 64.19 1nzc s THR 9 Cb -0.23 -4.17 -0.12 0.00 0.01 0.00 0.00 72.50 67.99 1nzc s THR 9 CO 0.39 0.16 1.86 -0.11 -0.69 0.00 0.00 174.62 176.23 1nzc n LEU 10 N 3.74 3.42 -3.69 4.42 7.94 -1.26 -4.73 117.00 126.84 1nzc n LEU 10 Ca 0.07 0.98 -0.10 0.00 -1.11 0.00 0.00 56.01 55.85 1nzc n LEU 10 Cb 0.49 -1.37 -0.05 0.00 0.53 0.00 0.00 43.42 43.01 1nzc n LEU 10 CO 0.53 -0.07 0.10 0.00 -1.11 0.00 0.00 177.39 176.84 1nzc s ALA 11 N 3.86 -0.75 0.06 1.96 0.00 -1.12 -5.00 121.76 120.78 1nzc s ALA 11 Ca 0.92 -0.20 0.05 0.00 0.00 0.00 0.00 51.96 52.72 1nzc s ALA 11 Cb -0.69 0.65 -0.03 0.00 0.00 0.00 0.00 23.12 23.05 1nzc s ALA 11 CO 0.51 -0.61 -0.13 0.00 0.00 0.00 0.00 175.76 175.52 1nzc s ALA 12 N -3.82 1.11 -0.04 0.00 0.00 -1.26 -1.31 121.76 116.44 1nzc s ALA 12 Ca 0.04 -0.92 -0.02 0.00 0.00 0.00 0.00 51.96 51.07 1nzc s ALA 12 Cb 0.03 -0.11 0.03 0.00 0.00 0.00 0.00 23.12 23.07 1nzc s ALA 12 CO -0.11 0.17 0.09 0.50 0.00 0.00 0.00 175.76 176.40 1nzc s ARG 13 N -1.52 0.03 0.80 0.00 3.52 -0.07 -4.98 118.95 116.73 1nzc s ARG 13 Ca -0.02 0.28 -0.10 0.00 -0.13 0.00 0.00 55.73 55.76 1nzc s ARG 13 Cb -0.09 -0.20 0.07 0.00 -1.56 0.00 0.00 34.95 33.17 1nzc s ARG 13 CO 0.02 -0.16 1.10 -1.25 -0.81 0.00 0.00 175.30 174.19 1nzc s PRO 14 N 1.09 2.04 -0.28 5.12 0.04 -1.26 -0.55 135.00 141.19 1nzc s PRO 14 Ca -0.09 1.21 -0.10 0.00 0.04 0.00 0.00 61.00 62.06 1nzc s PRO 14 Cb -0.12 -1.87 -0.03 0.00 0.04 0.00 0.00 34.50 32.52 1nzc s PRO 14 CO -0.04 -1.81 0.15 0.08 0.04 0.00 0.00 177.00 175.41 1nzc s VAL 15 N -2.87 4.85 0.25 -0.36 1.01 -1.10 -4.82 120.40 117.36 1nzc s VAL 15 Ca 0.62 -0.09 -0.06 0.00 0.00 0.00 0.00 61.98 62.45 1nzc s VAL 15 Cb -0.18 -3.35 0.25 0.00 0.00 0.00 0.00 36.38 33.10 1nzc s VAL 15 CO 0.56 0.22 1.93 -0.33 0.00 0.00 0.00 175.10 177.48 1nzc h GLU 16 N 8.34 1.31 0.00 2.72 5.08 -1.96 -2.83 114.58 127.25 1nzc h GLU 16 Ca -0.35 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 1nzc h GLU 16 Cb 1.17 -0.30 0.00 0.00 0.50 0.00 0.00 28.75 30.13 1nzc h GLU 16 CO 0.58 0.87 -0.20 0.00 -1.00 0.00 0.00 179.01 179.26 1nzc h ALA 17 N 1.37 0.87 -3.06 3.43 0.00 -1.94 -3.40 119.26 116.52 1nzc h ALA 17 Ca 0.37 0.00 -0.61 0.00 0.00 0.00 0.00 54.91 54.67 1nzc h ALA 17 Cb -0.16 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 17.23 1nzc h ALA 17 CO -0.08 0.00 -0.73 0.42 0.00 0.00 0.00 179.25 178.86 1nzc s ILE 18 N -3.14 1.40 0.23 0.00 1.01 -1.07 -4.78 121.20 114.86 1nzc s ILE 18 Ca 0.09 -2.39 -0.30 0.00 0.00 0.00 0.00 60.65 58.04 1nzc s ILE 18 Cb 0.12 -1.99 -0.15 0.00 0.01 0.00 0.00 42.46 40.45 1nzc s ILE 18 CO 0.65 -0.85 1.12 -2.65 0.00 0.00 0.00 174.94 173.21 1nzc n PRO 19 N 3.76 1.36 0.00 2.79 -0.02 -1.26 -2.05 135.00 139.58 1nzc n PRO 19 Ca 0.07 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 1nzc n PRO 19 Cb 0.36 -1.94 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 1nzc n PRO 19 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nzc n GLY 20 N 1.68 2.89 3.77 -1.23 0.00 -1.26 -4.89 105.19 106.14 1nzc n GLY 20 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 1nzc n GLY 20 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1nzc s MET 21 N -0.42 4.44 -0.02 1.61 0.00 -0.87 -4.60 119.30 119.44 1nzc s MET 21 Ca 0.00 1.61 0.03 0.00 0.00 0.00 0.00 55.69 57.33 1nzc s MET 21 Cb 0.00 -2.88 -0.00 0.00 0.00 0.00 0.00 34.83 31.95 1nzc s MET 21 CO 0.00 0.09 -0.11 -0.51 0.00 0.00 0.00 175.02 174.49 1nzc s LEU 22 N -2.00 1.90 -0.15 4.11 1.43 -0.98 -2.71 118.68 120.28 1nzc s LEU 22 Ca 0.50 -0.21 -0.03 0.00 -1.03 0.00 0.00 54.13 53.37 1nzc s LEU 22 Cb -0.26 -0.60 -0.02 0.00 0.03 0.00 0.00 46.19 45.34 1nzc s LEU 22 CO 0.33 0.11 -0.06 -0.70 0.23 0.00 0.00 176.35 176.25 1nzc s GLU 23 N -0.02 3.58 -0.05 1.70 2.12 0.29 -0.82 118.70 125.49 1nzc s GLU 23 Ca 0.00 -0.57 0.03 0.00 0.36 0.00 0.00 54.97 54.79 1nzc s GLU 23 Cb -0.07 -2.85 -0.03 0.00 0.26 0.00 0.00 34.13 31.45 1nzc s GLU 23 CO 0.00 0.20 -0.12 -0.06 -0.54 0.00 0.00 175.26 174.74 1nzc s PHE 24 N 0.44 2.76 -0.15 5.30 0.40 0.27 -0.89 117.98 126.11 1nzc s PHE 24 Ca -0.05 -0.11 -0.21 0.00 -0.60 0.00 0.00 56.93 55.95 1nzc s PHE 24 Cb -0.15 -1.64 -0.03 0.00 0.51 0.00 0.00 43.02 41.71 1nzc s PHE 24 CO 0.03 0.23 0.63 -0.51 0.70 0.00 0.00 175.22 176.30 1nzc s ASP 25 N -0.79 6.77 -0.16 1.36 1.01 -0.42 -1.88 116.67 122.56 1nzc s ASP 25 Ca 0.12 0.93 -0.05 0.00 0.71 0.00 0.00 52.55 54.26 1nzc s ASP 25 Cb -0.11 -2.36 -0.03 0.00 1.01 0.00 0.00 42.92 41.43 1nzc s ASP 25 CO 0.01 -0.19 -0.00 -0.63 0.21 0.00 0.00 175.17 174.57 1nzc s ILE 26 N 1.41 4.20 0.07 0.77 -1.09 -0.26 -2.78 121.20 123.52 1nzc s ILE 26 Ca 0.31 -0.25 -0.31 0.00 -2.23 0.00 0.00 60.65 58.17 1nzc s ILE 26 Cb -0.16 -2.86 -0.07 0.00 -1.58 0.00 0.00 42.46 37.79 1nzc s ILE 26 CO 0.12 0.49 1.41 -2.84 -1.23 0.00 0.00 174.94 172.89 1nzc s PRO 27 N 0.32 4.30 -0.07 2.79 0.02 -1.25 -4.56 135.00 136.55 1nzc s PRO 27 Ca -0.01 2.05 0.03 0.00 0.02 0.00 0.00 61.00 63.08 1nzc s PRO 27 Cb -0.13 -3.39 0.00 0.00 0.02 0.00 0.00 34.50 31.00 1nzc s PRO 27 CO 0.02 -0.50 -0.17 0.08 -0.33 0.00 0.00 177.00 176.10 1nzc s VAL 28 N 1.66 1.46 -0.20 3.83 1.01 -1.26 -4.30 120.40 122.61 1nzc s VAL 28 Ca 0.65 -0.69 -0.00 0.00 0.00 0.00 0.00 61.98 61.94 1nzc s VAL 28 Cb -0.35 -1.29 0.02 0.00 0.00 0.00 0.00 36.38 34.76 1nzc s VAL 28 CO 0.29 0.43 -0.15 -1.00 0.00 0.00 0.00 175.10 174.66 1nzc s HIS 29 N 0.39 2.87 0.16 5.22 3.76 -0.33 -1.21 115.29 126.14 1nzc s HIS 29 Ca -0.12 -1.55 0.06 0.00 -0.15 0.00 0.00 55.06 53.30 1nzc s HIS 29 Cb -0.15 -1.97 -0.04 0.00 1.11 0.00 0.00 32.58 31.53 1nzc s HIS 29 CO 0.05 -0.76 0.08 0.20 -0.85 0.00 0.00 174.74 173.46 1nzc s GLY 30 N 1.32 1.75 0.00 -2.22 0.00 -1.26 -1.31 107.32 105.59 1nzc s GLY 30 Ca 0.04 -1.26 0.00 0.00 0.00 0.00 0.00 44.72 43.50 1nzc s GLY 30 CO -0.10 -1.26 0.00 2.09 0.00 0.00 0.00 173.10 173.83 1nzc n ASP 31 N -0.18 0.00 0.22 1.64 5.68 -0.26 -4.98 116.55 118.67 1nzc n ASP 31 Ca -0.09 -0.62 0.10 0.00 -0.50 0.00 0.00 54.79 53.68 1nzc n ASP 31 Cb 0.55 0.00 0.66 0.00 -1.14 0.00 0.00 41.12 41.19 1nzc n ASP 31 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1nzc h ASN 32 N 0.00 0.00 1.75 -1.12 -1.07 -2.05 -2.61 115.58 110.49 1nzc h ASN 32 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 1nzc h ASN 32 Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 1nzc h ASN 32 CO 0.00 0.00 -0.08 0.03 0.07 0.00 0.00 177.43 177.45 1nzc h ARG 33 N 0.00 0.00 0.00 4.14 3.08 -2.02 -3.49 114.38 116.09 1nzc h ARG 33 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1nzc h ARG 33 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.21 1nzc h ARG 33 CO -0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 1nzc n GLY 34 N 1.17 0.45 3.61 0.04 0.00 -0.98 -5.13 105.19 104.35 1nzc n GLY 34 Ca 0.04 -0.97 -0.09 0.00 0.00 0.00 0.00 46.02 45.00 1nzc n GLY 34 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1nzc s TRP 35 N -0.97 0.33 -0.00 1.61 1.48 -1.26 -1.10 118.94 119.02 1nzc s TRP 35 Ca 0.00 -0.70 0.00 0.00 -1.06 0.00 0.00 56.10 54.34 1nzc s TRP 35 Cb 0.00 0.24 0.00 0.00 -1.16 0.00 0.00 33.47 32.55 1nzc s TRP 35 CO 0.00 -1.03 -0.00 0.12 -4.06 0.00 0.00 176.95 171.98 1nzc s PHE 36 N -3.96 0.05 0.01 1.66 5.36 -0.43 -4.97 117.98 115.69 1nzc s PHE 36 Ca 0.22 0.00 0.00 0.00 -0.96 0.00 0.00 56.93 56.19 1nzc s PHE 36 Cb -0.01 -0.05 -0.01 0.00 -0.34 0.00 0.00 43.02 42.61 1nzc s PHE 36 CO 0.09 -0.01 -0.02 -1.59 -1.46 0.00 0.00 175.22 172.24 1nzc s LYS 37 N 0.07 0.16 -0.80 10.12 -2.85 -1.26 -1.19 119.74 124.00 1nzc s LYS 37 Ca -0.01 -0.30 -0.26 0.00 -1.00 0.00 0.00 55.97 54.41 1nzc s LYS 37 Cb -0.01 0.03 0.01 0.00 -2.06 0.00 0.00 37.83 35.80 1nzc s LYS 37 CO -0.00 -0.02 1.55 -1.21 0.10 0.00 0.00 175.35 175.76 1nzc s GLU 38 N -0.70 3.06 0.25 1.78 2.02 -1.26 -4.88 118.70 118.96 1nzc s GLU 38 Ca -0.07 -0.25 -0.02 0.00 0.02 0.00 0.00 54.97 54.64 1nzc s GLU 38 Cb -0.05 -4.62 0.29 0.00 0.10 0.00 0.00 34.13 29.85 1nzc s GLU 38 CO -0.00 -2.47 1.71 -0.97 0.02 0.00 0.00 175.26 173.55 1nzc h ASN 39 N 11.30 0.73 -3.50 -0.19 -0.73 -1.97 -3.43 115.58 117.79 1nzc h ASN 39 Ca -0.11 -0.22 -0.21 0.00 1.87 0.00 0.00 56.30 57.63 1nzc h ASN 39 Cb 1.06 -0.20 -0.30 0.00 0.27 0.00 0.00 38.32 39.16 1nzc h ASN 39 CO 1.29 0.87 -0.53 0.12 -0.37 0.00 0.00 177.43 178.81 1nzc s PHE 40 N -4.78 -0.23 -0.20 0.67 5.36 -1.26 -5.03 117.98 112.50 1nzc s PHE 40 Ca -0.09 0.59 -0.05 0.00 -0.96 0.00 0.00 56.93 56.42 1nzc s PHE 40 Cb 0.14 0.00 0.07 0.00 -0.34 0.00 0.00 43.02 42.90 1nzc s PHE 40 CO 0.82 -0.17 0.12 -1.14 -1.46 0.00 0.00 175.22 173.38 1nzc s GLN 41 N 0.91 0.11 0.11 10.12 -0.44 -1.26 -5.05 119.66 124.15 1nzc s GLN 41 Ca -0.07 -0.14 -0.20 0.00 -2.50 0.00 0.00 55.36 52.45 1nzc s GLN 41 Cb -0.08 -1.60 -0.09 0.00 -1.64 0.00 0.00 33.01 29.60 1nzc s GLN 41 CO -0.05 -0.75 1.75 -0.22 0.50 0.00 0.00 175.29 176.52 1nzc h LYS 42 N 8.40 0.21 -0.70 1.67 3.64 -2.00 -1.13 116.57 126.68 1nzc h LYS 42 Ca -0.16 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.19 1nzc h LYS 42 Cb 1.12 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.86 1nzc h LYS 42 CO 0.32 0.17 0.40 1.49 -2.27 0.00 0.00 179.45 179.55 1nzc h GLU 43 N 0.20 0.95 0.00 1.90 4.81 -2.02 -2.11 114.58 118.31 1nzc h GLU 43 Ca 0.06 -0.09 -0.14 0.00 -0.13 0.00 0.00 59.36 59.06 1nzc h GLU 43 Cb 0.00 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.16 1nzc h GLU 43 CO -0.01 0.68 -0.76 0.87 -0.73 0.00 0.00 179.01 179.06 1nzc h LYS 44 N 0.96 0.00 0.00 1.92 1.57 -1.92 -3.37 116.57 115.74 1nzc h LYS 44 Ca 0.25 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.86 1nzc h LYS 44 Cb -0.01 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 1nzc h LYS 44 CO -0.04 0.55 -1.43 -1.33 -0.57 0.00 0.00 179.45 176.63 1nzc n MET 45 N -3.19 0.62 -0.08 3.15 2.81 -0.46 -4.16 117.12 115.82 1nzc n MET 45 Ca -0.01 0.22 -0.09 0.00 -1.81 0.00 0.00 57.70 56.01 1nzc n MET 45 Cb 0.79 -1.80 -0.02 0.00 -0.71 0.00 0.00 33.22 31.48 1nzc n MET 45 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 1nzc h LEU 46 N 0.00 0.28 -2.62 4.03 3.38 -1.56 -2.06 115.31 116.76 1nzc h LEU 46 Ca -0.17 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 1nzc h LEU 46 Cb 1.59 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 42.28 1nzc h LEU 46 CO 0.05 0.21 -0.00 -0.65 0.09 0.00 0.00 178.44 178.13 1nzc h PRO 47 N 0.35 0.00 -0.04 1.13 0.11 -1.77 -1.54 132.00 130.23 1nzc h PRO 47 Ca 0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 1nzc h PRO 47 Cb -0.02 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.09 1nzc h PRO 47 CO -0.04 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.03 1nzc n LEU 48 N -3.12 1.09 0.00 2.35 4.77 -0.81 -4.92 117.00 116.35 1nzc n LEU 48 Ca -0.02 -0.39 0.00 0.00 -0.03 0.00 0.00 56.01 55.57 1nzc n LEU 48 Cb 0.13 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1nzc n LEU 48 CO 0.22 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 1nzc n GLY 49 N 1.10 0.64 3.68 -0.72 0.00 -0.58 -4.77 105.19 104.54 1nzc n GLY 49 Ca 0.19 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.74 1nzc n GLY 49 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1nzc n PHE 50 N -1.26 2.37 -2.30 1.61 7.35 -0.98 -4.87 117.46 119.39 1nzc n PHE 50 Ca 0.00 -0.05 -0.41 0.00 -0.76 0.00 0.00 57.45 56.23 1nzc n PHE 50 Cb 0.00 -2.68 -0.03 0.00 0.35 0.00 0.00 39.48 37.12 1nzc n PHE 50 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 1nzc s PRO 51 N 3.74 4.43 0.46 -7.13 0.04 -1.26 -4.42 135.00 130.85 1nzc s PRO 51 Ca 0.90 1.96 0.20 0.00 0.04 0.00 0.00 61.00 64.09 1nzc s PRO 51 Cb -0.64 -3.23 1.10 0.00 0.04 0.00 0.00 34.50 31.78 1nzc s PRO 51 CO 0.48 -0.20 1.97 1.49 0.04 0.00 0.00 177.00 180.78 1nzc h GLU 52 N 5.54 0.00 -0.11 4.56 4.81 -1.94 -2.10 114.58 125.34 1nzc h GLU 52 Ca -0.44 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 58.82 1nzc h GLU 52 Cb 1.21 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.59 1nzc h GLU 52 CO 0.77 0.21 0.16 0.66 -0.73 0.00 0.00 179.01 180.09 1nzc h SER 53 N 0.00 0.00 -0.95 1.04 4.64 -2.01 -0.72 113.55 115.55 1nzc h SER 53 Ca -0.00 0.00 0.21 0.00 -0.47 0.00 0.00 61.79 61.53 1nzc h SER 53 Cb 0.44 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.45 1nzc h SER 53 CO 0.03 0.00 0.62 0.15 -0.87 0.00 0.00 176.83 176.75 1nzc h PHE 54 N 0.00 0.70 -0.11 4.77 3.57 -1.77 -2.56 116.94 121.55 1nzc h PHE 54 Ca 0.05 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.58 1nzc h PHE 54 Cb 0.38 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 38.91 1nzc h PHE 54 CO 0.00 0.16 0.00 1.19 -2.23 0.00 0.00 178.31 177.43 1nzc n PHE 55 N -4.59 0.11 0.11 0.41 3.01 -0.28 -4.65 117.46 111.58 1nzc n PHE 55 Ca 0.21 -0.06 0.04 0.00 1.01 0.00 0.00 57.45 58.65 1nzc n PHE 55 Cb 0.69 0.00 0.44 0.00 -0.01 0.00 0.00 39.48 40.60 1nzc n PHE 55 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1nzc h ALA 56 N 4.59 1.64 -0.02 4.37 0.00 -1.51 -2.53 119.26 125.80 1nzc h ALA 56 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1nzc h ALA 56 Cb 0.90 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1nzc h ALA 56 CO 0.00 0.27 -0.39 0.39 0.00 0.00 0.00 179.25 179.53 1nzc n GLU 57 N -4.38 1.38 -1.46 0.00 1.02 -1.26 -4.97 120.64 110.98 1nzc n GLU 57 Ca 0.00 -1.13 -0.09 0.00 -0.02 0.00 0.00 57.16 55.92 1nzc n GLU 57 Cb 0.18 -1.48 -0.03 0.00 -0.02 0.00 0.00 31.44 30.09 1nzc n GLU 57 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1nzc n GLY 58 N 1.40 0.80 3.80 0.62 0.00 -0.95 -5.01 105.19 105.86 1nzc n GLY 58 Ca 0.10 -0.62 -0.36 0.00 0.00 0.00 0.00 46.02 45.14 1nzc n GLY 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nzc s LYS 59 N -3.12 3.60 -0.14 1.61 1.02 -1.26 -5.09 119.74 116.35 1nzc s LYS 59 Ca 0.00 -0.20 -0.08 0.00 0.02 0.00 0.00 55.97 55.71 1nzc s LYS 59 Cb 0.00 -3.20 0.05 0.00 -0.52 0.00 0.00 37.83 34.16 1nzc s LYS 59 CO 0.00 0.62 0.35 -1.17 -0.92 0.00 0.00 175.35 174.23 1nzc s LEU 60 N -0.59 0.16 -0.05 3.17 2.96 -1.26 -4.39 118.68 118.68 1nzc s LEU 60 Ca 0.12 0.75 -0.05 0.00 -0.22 0.00 0.00 54.13 54.73 1nzc s LEU 60 Cb -0.12 1.13 0.01 0.00 0.50 0.00 0.00 46.19 47.72 1nzc s LEU 60 CO 0.02 -0.18 0.14 -1.58 -1.32 0.00 0.00 176.35 173.44 1nzc s GLN 61 N 1.20 0.16 -0.25 1.98 0.74 -0.75 -5.01 119.66 117.74 1nzc s GLN 61 Ca -0.08 0.21 -0.00 0.00 0.05 0.00 0.00 55.36 55.53 1nzc s GLN 61 Cb -0.08 0.07 0.04 0.00 1.10 0.00 0.00 33.01 34.14 1nzc s GLN 61 CO -0.10 -0.03 -0.08 1.21 -0.55 0.00 0.00 175.29 175.75 1nzc s ASN 62 N 0.11 4.31 0.04 6.67 3.04 -1.26 -1.05 114.94 126.80 1nzc s ASN 62 Ca -0.00 -1.02 0.01 0.00 0.04 0.00 0.00 52.86 51.88 1nzc s ASN 62 Cb -0.01 -1.63 -0.04 0.00 -1.54 0.00 0.00 41.25 38.03 1nzc s ASN 62 CO -0.00 -0.15 0.13 0.20 -3.04 0.00 0.00 177.10 174.24 1nzc s ASN 63 N 1.26 5.92 -0.02 -4.21 0.02 -0.34 -4.97 114.94 112.60 1nzc s ASN 63 Ca -0.02 0.16 0.00 0.00 -1.02 0.00 0.00 52.86 51.98 1nzc s ASN 63 Cb -0.17 -1.73 0.02 0.00 0.02 0.00 0.00 41.25 39.39 1nzc s ASN 63 CO -0.05 0.21 -0.00 -0.69 0.02 0.00 0.00 177.10 176.59 1nzc s VAL 64 N -1.37 0.16 0.10 1.60 1.01 -1.26 -1.31 120.40 119.34 1nzc s VAL 64 Ca 0.29 0.06 0.10 0.00 0.00 0.00 0.00 61.98 62.43 1nzc s VAL 64 Cb -0.12 -0.23 -0.04 0.00 0.00 0.00 0.00 36.38 35.99 1nzc s VAL 64 CO 0.21 0.12 -0.25 -0.94 0.00 0.00 0.00 175.10 174.24 1nzc s SER 65 N 0.80 3.03 -0.12 3.32 1.04 0.14 -4.97 113.70 116.93 1nzc s SER 65 Ca -0.08 -0.69 0.03 0.00 0.48 0.00 0.00 55.95 55.69 1nzc s SER 65 Cb -0.11 -0.21 0.00 0.00 0.10 0.00 0.00 66.02 65.81 1nzc s SER 65 CO -0.01 0.16 -0.22 0.12 0.98 0.00 0.00 173.24 174.26 1nzc s PHE 66 N -1.03 2.64 0.03 5.02 5.36 -1.26 -0.76 117.98 127.98 1nzc s PHE 66 Ca 0.11 -1.17 0.01 0.00 -0.96 0.00 0.00 56.93 54.93 1nzc s PHE 66 Cb -0.10 -1.78 -0.02 0.00 -0.34 0.00 0.00 43.02 40.78 1nzc s PHE 66 CO 0.05 -0.50 -0.06 -1.12 -1.46 0.00 0.00 175.22 172.13 1nzc s SER 67 N 0.59 0.59 0.46 6.13 0.01 -0.69 -4.99 113.70 115.79 1nzc s SER 67 Ca -0.12 -0.50 0.02 0.00 1.31 0.00 0.00 55.95 56.66 1nzc s SER 67 Cb -0.17 0.05 0.01 0.00 0.21 0.00 0.00 66.02 66.12 1nzc s SER 67 CO 0.03 -0.22 0.66 -0.13 0.41 0.00 0.00 173.24 173.99 1nzc s ARG 68 N -1.43 2.94 0.12 12.44 0.52 -1.26 -1.17 118.95 131.11 1nzc s ARG 68 Ca -0.11 -0.66 -0.34 0.00 -0.52 0.00 0.00 55.73 54.10 1nzc s ARG 68 Cb -0.09 -2.59 -0.18 0.00 0.52 0.00 0.00 34.95 32.61 1nzc s ARG 68 CO -0.00 -0.33 0.92 1.17 0.02 0.00 0.00 175.30 177.08 1nzc n LYS 69 N -2.07 0.39 0.00 3.54 4.81 -0.20 -1.78 118.16 122.84 1nzc n LYS 69 Ca 0.03 0.14 0.00 0.00 -0.87 0.00 0.00 58.31 57.61 1nzc n LYS 69 Cb 0.58 -1.47 0.00 0.00 0.02 0.00 0.00 35.03 34.16 1nzc n LYS 69 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1nzc n ASN 70 N 1.82 0.00 -4.70 3.14 3.02 -0.28 -4.92 115.26 113.34 1nzc n ASN 70 Ca 0.18 0.00 -0.44 0.00 -0.03 0.00 0.00 54.58 54.29 1nzc n ASN 70 Cb 0.19 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.34 1nzc n ASN 70 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1nzc n VAL 71 N -2.00 0.82 -4.43 2.41 0.31 -0.73 -1.75 118.33 112.96 1nzc n VAL 71 Ca 0.00 -0.20 -0.28 0.00 -0.01 0.00 0.00 64.34 63.85 1nzc n VAL 71 Cb 0.00 -1.66 -0.17 0.00 -0.91 0.00 0.00 33.84 31.10 1nzc n VAL 71 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 1nzc s LEU 72 N 0.07 1.65 -0.11 7.52 0.20 -0.66 -1.17 118.68 126.19 1nzc s LEU 72 Ca 0.68 -0.39 0.03 0.00 0.69 0.00 0.00 54.13 55.15 1nzc s LEU 72 Cb -0.60 -1.01 0.00 0.00 -0.43 0.00 0.00 46.19 44.15 1nzc s LEU 72 CO 0.47 0.01 -0.22 -0.13 -0.29 0.00 0.00 176.35 176.19 1nzc s ARG 73 N 1.00 2.89 0.00 1.98 0.52 -0.20 -4.43 118.95 120.70 1nzc s ARG 73 Ca -0.07 -0.82 0.00 0.00 -0.52 0.00 0.00 55.73 54.32 1nzc s ARG 73 Cb -0.15 -2.25 0.00 0.00 0.52 0.00 0.00 34.95 33.07 1nzc s ARG 73 CO -0.01 0.10 0.00 0.41 0.02 0.00 0.00 175.30 175.82 1nzc n GLY 74 N 3.74 0.10 0.94 -3.53 0.00 -1.26 -0.82 105.19 104.36 1nzc n GLY 74 Ca -0.20 -1.41 -0.01 0.00 0.00 0.00 0.00 46.02 44.40 1nzc n GLY 74 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1nzc n LEU 75 N 0.00 -0.40 -4.19 0.99 4.77 -1.19 -4.30 117.00 112.69 1nzc n LEU 75 Ca 0.00 0.03 -0.33 0.00 -0.03 0.00 0.00 56.01 55.68 1nzc n LEU 75 Cb 0.00 -0.19 -0.16 0.00 -2.33 0.00 0.00 43.42 40.74 1nzc n LEU 75 CO 0.00 -0.13 -0.53 -1.00 -1.33 0.00 0.00 177.39 174.40 1nzc s HIS 76 N -0.13 2.70 -0.47 -1.77 3.76 -0.60 -1.51 115.29 117.26 1nzc s HIS 76 Ca 0.01 -1.27 0.09 0.00 -0.15 0.00 0.00 55.06 53.73 1nzc s HIS 76 Cb -0.00 -1.83 0.36 0.00 1.11 0.00 0.00 32.58 32.22 1nzc s HIS 76 CO 0.03 -0.58 0.89 0.00 -0.85 0.00 0.00 174.74 174.22 1nzc n ALA 77 N 4.06 3.66 -1.22 -1.40 0.00 0.26 -0.94 120.51 124.93 1nzc n ALA 77 Ca -0.20 -4.07 -0.31 0.00 0.00 0.00 0.00 53.44 48.86 1nzc n ALA 77 Cb 0.52 -0.80 0.11 0.00 0.00 0.00 0.00 19.45 19.28 1nzc n ALA 77 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1nzc s GLU 78 N -3.08 1.87 -1.28 0.00 8.01 -1.25 -3.51 118.70 119.47 1nzc s GLU 78 Ca 0.44 1.06 -0.08 0.00 0.01 0.00 0.00 54.97 56.40 1nzc s GLU 78 Cb 0.33 -1.86 -0.06 0.00 -4.31 0.00 0.00 34.13 28.23 1nzc s GLU 78 CO -0.11 -1.88 2.93 -0.35 0.01 0.00 0.00 175.26 175.86 1nzc n PRO 79 N -3.67 3.60 -3.69 0.39 -0.04 -1.26 -4.28 135.00 126.05 1nzc n PRO 79 Ca 0.08 -2.31 -0.11 0.00 -0.04 0.00 0.00 63.50 61.12 1nzc n PRO 79 Cb 0.54 -2.62 -0.06 0.00 -0.04 0.00 0.00 33.50 31.32 1nzc n PRO 79 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 1nzc s TRP 80 N 1.10 -0.18 0.54 0.54 -2.14 -1.26 -4.84 118.94 112.69 1nzc s TRP 80 Ca 0.66 -0.01 -0.16 0.00 2.66 0.00 0.00 56.10 59.25 1nzc s TRP 80 Cb 0.21 0.19 -0.07 0.00 -3.10 0.00 0.00 33.47 30.70 1nzc s TRP 80 CO -0.07 -0.60 1.00 -0.51 -2.66 0.00 0.00 176.95 174.11 1nzc s ASP 81 N -2.36 6.51 -0.03 -2.66 1.01 -1.26 -3.78 116.67 114.10 1nzc s ASP 81 Ca -0.02 1.56 0.02 0.00 0.71 0.00 0.00 52.55 54.82 1nzc s ASP 81 Cb 0.01 -2.50 0.01 0.00 1.01 0.00 0.00 42.92 41.44 1nzc s ASP 81 CO -0.07 -0.66 -0.07 -0.54 0.21 0.00 0.00 175.17 174.04 1nzc s LYS 82 N -4.25 0.86 -0.30 8.23 1.02 -0.64 -3.58 119.74 121.07 1nzc s LYS 82 Ca 0.58 -0.23 -0.03 0.00 0.02 0.00 0.00 55.97 56.31 1nzc s LYS 82 Cb -0.10 -0.82 0.04 0.00 -0.52 0.00 0.00 37.83 36.43 1nzc s LYS 82 CO 0.35 0.05 0.03 -0.47 -0.92 0.00 0.00 175.35 174.39 1nzc s TYR 83 N 0.37 3.22 -0.06 3.18 5.04 -0.07 -0.09 117.35 128.94 1nzc s TYR 83 Ca -0.05 -1.62 0.00 0.00 -2.44 0.00 0.00 57.07 52.96 1nzc s TYR 83 Cb -0.10 -2.16 -0.03 0.00 0.35 0.00 0.00 41.96 40.02 1nzc s TYR 83 CO 0.00 -0.75 -0.03 0.42 -1.34 0.00 0.00 175.55 173.85 1nzc s ILE 84 N 1.33 3.99 0.32 3.14 1.01 0.47 -1.24 121.20 130.22 1nzc s ILE 84 Ca -0.03 -0.44 -0.19 0.00 0.00 0.00 0.00 60.65 60.00 1nzc s ILE 84 Cb -0.19 -2.68 0.04 0.00 0.01 0.00 0.00 42.46 39.64 1nzc s ILE 84 CO -0.00 0.55 0.78 -0.55 0.00 0.00 0.00 174.94 175.72 1nzc s SER 85 N -1.01 -0.12 -0.12 3.58 0.15 -0.80 -1.52 113.70 113.86 1nzc s SER 85 Ca 0.14 -0.86 -0.00 0.00 0.70 0.00 0.00 55.95 55.93 1nzc s SER 85 Cb -0.11 0.77 -0.02 0.00 -1.71 0.00 0.00 66.02 64.95 1nzc s SER 85 CO 0.04 -1.47 -0.12 -0.69 1.20 0.00 0.00 173.24 172.19 1nzc s VAL 86 N -3.05 3.15 -1.58 4.45 1.01 -1.26 -1.30 120.40 121.83 1nzc s VAL 86 Ca 0.14 -0.63 0.22 0.00 0.00 0.00 0.00 61.98 61.70 1nzc s VAL 86 Cb -0.05 -2.32 -0.09 0.00 0.00 0.00 0.00 36.38 33.91 1nzc s VAL 86 CO 0.09 0.53 1.03 0.00 0.00 0.00 0.00 175.10 176.75 1nzc n ALA 87 N 3.34 4.06 -3.00 5.51 0.00 -0.28 -4.09 120.51 126.05 1nzc n ALA 87 Ca -0.18 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 52.65 1nzc n ALA 87 Cb 0.53 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 19.18 1nzc n ALA 87 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1nzc n ASP 88 N -0.68 1.27 -0.26 0.00 5.75 -1.26 -5.00 116.55 116.38 1nzc n ASP 88 Ca 0.07 0.00 0.05 0.00 -0.01 0.00 0.00 54.79 54.90 1nzc n ASP 88 Cb 0.41 0.00 0.21 0.00 -1.03 0.00 0.00 41.12 40.70 1nzc n ASP 88 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1nzc n GLY 89 N 3.41 -0.35 3.96 6.12 0.00 -1.26 -4.40 105.19 112.67 1nzc n GLY 89 Ca 0.00 -0.19 -0.28 0.00 0.00 0.00 0.00 46.02 45.55 1nzc n GLY 89 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nzc s GLY 90 N -1.20 1.80 -0.02 -0.02 0.00 -1.26 -4.98 107.32 101.65 1nzc s GLY 90 Ca 0.17 -1.51 -0.14 0.00 0.00 0.00 0.00 44.72 43.25 1nzc s GLY 90 CO 0.13 -0.74 0.28 -1.59 0.00 0.00 0.00 173.10 171.18 1nzc s LYS 91 N -5.70 0.63 0.10 2.90 -2.85 -1.26 -4.37 119.74 109.18 1nzc s LYS 91 Ca 0.74 -0.19 0.05 0.00 -1.00 0.00 0.00 55.97 55.56 1nzc s LYS 91 Cb -0.03 0.28 -0.03 0.00 -2.06 0.00 0.00 37.83 35.98 1nzc s LYS 91 CO 0.51 -0.17 -0.13 0.14 0.10 0.00 0.00 175.35 175.81 1nzc s VAL 92 N -1.26 1.14 -0.51 1.79 -7.23 -0.66 -1.19 120.40 112.47 1nzc s VAL 92 Ca -0.13 -1.56 -0.24 0.00 -1.81 0.00 0.00 61.98 58.24 1nzc s VAL 92 Cb -0.05 -1.33 0.04 0.00 0.56 0.00 0.00 36.38 35.60 1nzc s VAL 92 CO 0.04 -0.40 0.87 -0.22 -0.31 0.00 0.00 175.10 175.08 1nzc s LEU 93 N -2.23 4.20 0.34 1.32 2.96 0.44 -0.83 118.68 124.89 1nzc s LEU 93 Ca 0.04 -0.28 -0.24 0.00 -0.22 0.00 0.00 54.13 53.44 1nzc s LEU 93 Cb -0.06 -2.88 -0.10 0.00 0.50 0.00 0.00 46.19 43.65 1nzc s LEU 93 CO 0.02 -1.10 0.91 -0.83 -1.32 0.00 0.00 176.35 174.03 1nzc s GLY 94 N 2.58 2.66 -0.09 7.98 0.00 0.35 -1.64 107.32 119.16 1nzc s GLY 94 Ca 0.30 0.43 -0.05 0.00 0.00 0.00 0.00 44.72 45.40 1nzc s GLY 94 CO 0.20 0.82 0.21 -1.59 0.00 0.00 0.00 173.10 172.74 1nzc s THR 95 N -1.77 -0.03 0.00 0.90 2.01 -0.38 -2.08 115.64 114.30 1nzc s THR 95 Ca 0.53 0.10 0.03 0.00 0.31 0.00 0.00 61.69 62.66 1nzc s THR 95 Cb -0.16 -0.31 -0.01 0.00 0.01 0.00 0.00 72.50 72.03 1nzc s THR 95 CO 0.20 0.04 -0.08 0.26 -0.69 0.00 0.00 174.62 174.36 1nzc s TRP 96 N 0.85 0.73 -0.08 4.92 0.51 -0.38 -1.26 118.94 124.22 1nzc s TRP 96 Ca -0.06 -0.17 -0.01 0.00 -2.12 0.00 0.00 56.10 53.74 1nzc s TRP 96 Cb -0.08 -0.46 0.03 0.00 -0.81 0.00 0.00 33.47 32.15 1nzc s TRP 96 CO -0.05 -0.01 -0.03 0.08 -0.51 0.00 0.00 176.95 176.42 1nzc s VAL 97 N -0.31 0.63 -0.10 4.03 1.01 -0.87 -2.27 120.40 122.52 1nzc s VAL 97 Ca 0.02 -0.06 -0.30 0.00 0.00 0.00 0.00 61.98 61.64 1nzc s VAL 97 Cb -0.04 -0.71 -0.03 0.00 0.00 0.00 0.00 36.38 35.60 1nzc s VAL 97 CO -0.00 0.29 1.34 -0.62 0.00 0.00 0.00 175.10 176.11 1nzc s ASP 98 N 1.69 6.90 -0.12 3.32 -1.08 -0.10 -0.40 116.67 126.89 1nzc s ASP 98 Ca 0.02 1.87 0.15 0.00 -0.52 0.00 0.00 52.55 54.06 1nzc s ASP 98 Cb -0.13 -2.54 0.46 0.00 -1.46 0.00 0.00 42.92 39.25 1nzc s ASP 98 CO -0.05 -0.75 1.37 0.18 0.52 0.00 0.00 175.17 176.44 1nzc n LEU 99 N 6.27 3.61 -4.76 -1.34 4.77 -0.60 -0.19 117.00 124.75 1nzc n LEU 99 Ca 0.14 -2.66 -0.40 0.00 -0.03 0.00 0.00 56.01 53.06 1nzc n LEU 99 Cb 0.45 -0.44 -0.05 0.00 -2.33 0.00 0.00 43.42 41.04 1nzc n LEU 99 CO 0.57 0.69 0.50 -0.13 -1.33 0.00 0.00 177.39 177.70 1nzc s ARG 100 N -2.19 4.57 0.07 3.23 0.52 -1.21 -0.99 118.95 122.95 1nzc s ARG 100 Ca 0.36 1.17 -0.34 0.00 -0.52 0.00 0.00 55.73 56.40 1nzc s ARG 100 Cb 0.27 -3.31 -0.13 0.00 0.52 0.00 0.00 34.95 32.30 1nzc s ARG 100 CO 0.12 0.43 1.71 -1.91 0.02 0.00 0.00 175.30 175.67 1nzc n GLU 101 N 2.14 2.25 -0.32 3.54 2.13 -0.20 -3.60 120.64 126.60 1nzc n GLU 101 Ca -0.04 0.82 0.00 0.00 0.66 0.00 0.00 57.16 58.60 1nzc n GLU 101 Cb 0.49 -2.63 0.00 0.00 0.27 0.00 0.00 31.44 29.57 1nzc n GLU 101 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1nzc n GLY 102 N 3.86 0.82 0.30 8.31 0.00 -1.26 -4.91 105.19 112.31 1nzc n GLY 102 Ca 0.19 -1.85 0.18 0.00 0.00 0.00 0.00 46.02 44.54 1nzc n GLY 102 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1nzc h GLU 103 N 6.38 0.00 -0.41 1.61 4.11 -2.04 -2.24 114.58 121.98 1nzc h GLU 103 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1nzc h GLU 103 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1nzc h GLU 103 CO 0.00 0.03 0.00 0.25 0.07 0.00 0.00 179.01 179.36 1nzc n THR 104 N -3.29 0.54 -1.72 -1.06 -2.24 -1.26 -4.95 114.28 100.30 1nzc n THR 104 Ca -0.02 -0.68 -0.42 0.00 -2.27 0.00 0.00 64.05 60.66 1nzc n THR 104 Cb 0.18 0.67 -0.03 0.00 -2.10 0.00 0.00 70.33 69.05 1nzc n THR 104 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1nzc s PHE 105 N -1.46 2.08 0.00 4.78 5.36 -0.85 -1.39 117.98 126.51 1nzc s PHE 105 Ca 0.38 -0.05 0.00 0.00 -0.96 0.00 0.00 56.93 56.30 1nzc s PHE 105 Cb 0.21 -4.18 0.00 0.00 -0.34 0.00 0.00 43.02 38.71 1nzc s PHE 105 CO 0.29 -4.90 0.00 0.41 -1.46 0.00 0.00 175.22 169.56 1nzc n GLY 106 N 4.25 1.21 3.74 13.12 0.00 0.73 -5.01 105.19 123.24 1nzc n GLY 106 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 1nzc n GLY 106 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1nzc s ASN 107 N -3.01 4.76 0.13 1.61 -0.87 -0.48 -4.71 114.94 112.37 1nzc s ASN 107 Ca 0.00 2.50 0.03 0.00 -1.57 0.00 0.00 52.86 53.82 1nzc s ASN 107 Cb 0.00 -2.61 -0.04 0.00 -0.02 0.00 0.00 41.25 38.58 1nzc s ASN 107 CO 0.00 -1.89 -0.07 0.42 -2.57 0.00 0.00 177.10 172.99 1nzc s THR 108 N -1.55 0.90 -0.05 1.60 -4.23 -1.26 -0.92 115.64 110.13 1nzc s THR 108 Ca 0.80 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 59.18 1nzc s THR 108 Cb -0.34 -1.83 0.02 0.00 1.34 0.00 0.00 72.50 71.70 1nzc s THR 108 CO 0.38 -0.75 0.30 -0.47 -0.54 0.00 0.00 174.62 173.54 1nzc s TYR 109 N -3.50 -0.22 0.01 3.99 5.04 -0.96 -4.87 117.35 116.84 1nzc s TYR 109 Ca 0.16 0.43 -0.01 0.00 -2.44 0.00 0.00 57.07 55.21 1nzc s TYR 109 Cb 0.04 0.10 -0.01 0.00 0.35 0.00 0.00 41.96 42.44 1nzc s TYR 109 CO -0.01 -0.32 0.01 -0.65 -1.34 0.00 0.00 175.55 173.24 1nzc s GLN 110 N -0.86 0.28 -0.03 4.97 -0.21 -1.26 -1.25 119.66 121.30 1nzc s GLN 110 Ca -0.09 -0.44 -0.29 0.00 0.02 0.00 0.00 55.36 54.55 1nzc s GLN 110 Cb -0.04 0.11 0.09 0.00 1.00 0.00 0.00 33.01 34.16 1nzc s GLN 110 CO 0.03 -0.05 0.75 -0.08 -2.12 0.00 0.00 175.29 173.82 1nzc s THR 111 N -1.14 0.00 0.06 -0.19 -1.32 -0.88 -5.00 115.64 107.16 1nzc s THR 111 Ca -0.12 0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.06 1nzc s THR 111 Cb -0.08 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 69.87 1nzc s THR 111 CO -0.00 0.00 0.99 -0.69 -2.21 0.00 0.00 174.62 172.70 1nzc s VAL 112 N -1.83 4.63 -0.12 5.08 1.01 -1.26 -0.50 120.40 127.41 1nzc s VAL 112 Ca -0.05 2.02 0.01 0.00 0.00 0.00 0.00 61.98 63.96 1nzc s VAL 112 Cb -0.00 -4.30 -0.01 0.00 0.00 0.00 0.00 36.38 32.07 1nzc s VAL 112 CO 0.02 0.23 -0.15 -0.63 0.00 0.00 0.00 175.10 174.57 1nzc s ILE 113 N 0.52 2.86 0.00 2.22 1.01 -0.01 -4.92 121.20 122.88 1nzc s ILE 113 Ca 0.50 -0.73 0.00 0.00 0.00 0.00 0.00 60.65 60.42 1nzc s ILE 113 Cb -0.23 -2.18 0.00 0.00 0.01 0.00 0.00 42.46 40.06 1nzc s ILE 113 CO 0.29 0.53 0.00 -0.90 0.00 0.00 0.00 174.94 174.86 1nzc n ASP 114 N 3.52 0.91 0.31 3.58 5.68 -1.26 -1.65 116.55 127.63 1nzc n ASP 114 Ca -0.18 -0.84 0.21 0.00 -0.50 0.00 0.00 54.79 53.47 1nzc n ASP 114 Cb 0.53 0.00 1.06 0.00 -1.14 0.00 0.00 41.12 41.57 1nzc n ASP 114 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1nzc h ALA 115 N 1.00 1.00 -0.18 2.12 0.00 -1.76 -2.07 119.26 119.37 1nzc h ALA 115 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1nzc h ALA 115 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1nzc h ALA 115 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.12 1nzc n SER 116 N -2.98 1.72 -3.98 0.00 3.41 -1.26 -4.82 113.62 105.71 1nzc n SER 116 Ca -0.02 -1.72 -0.15 0.00 -0.26 0.00 0.00 58.87 56.72 1nzc n SER 116 Cb 0.11 -0.11 -0.13 0.00 -0.26 0.00 0.00 64.21 63.81 1nzc n SER 116 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1nzc s LYS 117 N -1.78 0.43 0.15 4.33 2.20 -0.78 -1.10 119.74 123.20 1nzc s LYS 117 Ca 0.32 -0.34 0.01 0.00 -0.36 0.00 0.00 55.97 55.60 1nzc s LYS 117 Cb 0.17 -0.35 -0.04 0.00 -1.51 0.00 0.00 37.83 36.10 1nzc s LYS 117 CO 0.26 0.09 0.01 -1.54 -0.36 0.00 0.00 175.35 173.81 1nzc s SER 118 N -0.54 0.93 -0.03 1.43 1.04 -0.79 -4.46 113.70 111.28 1nzc s SER 118 Ca -0.02 -1.16 0.01 0.00 0.48 0.00 0.00 55.95 55.26 1nzc s SER 118 Cb -0.04 0.17 0.02 0.00 0.10 0.00 0.00 66.02 66.27 1nzc s SER 118 CO -0.00 -0.61 -0.01 -0.63 0.98 0.00 0.00 173.24 172.97 1nzc s ILE 119 N -3.77 0.24 -0.22 -1.02 -1.09 -0.58 -0.56 121.20 114.19 1nzc s ILE 119 Ca 0.22 0.03 -0.16 0.00 -2.23 0.00 0.00 60.65 58.51 1nzc s ILE 119 Cb 0.06 -0.32 -0.04 0.00 -1.58 0.00 0.00 42.46 40.59 1nzc s ILE 119 CO 0.02 0.15 0.41 0.12 -1.23 0.00 0.00 174.94 174.42 1nzc s PHE 120 N 0.90 3.33 -0.30 3.97 5.36 0.00 -0.39 117.98 130.84 1nzc s PHE 120 Ca -0.10 0.58 -0.02 0.00 -0.96 0.00 0.00 56.93 56.43 1nzc s PHE 120 Cb -0.13 -2.57 0.05 0.00 -0.34 0.00 0.00 43.02 40.03 1nzc s PHE 120 CO -0.01 -0.10 0.01 0.08 -1.46 0.00 0.00 175.22 173.74 1nzc s VAL 121 N 1.63 3.07 0.47 3.12 1.01 0.86 -2.31 120.40 128.25 1nzc s VAL 121 Ca 0.19 -1.36 -0.23 0.00 0.00 0.00 0.00 61.98 60.57 1nzc s VAL 121 Cb -0.15 -2.77 -0.07 0.00 0.00 0.00 0.00 36.38 33.39 1nzc s VAL 121 CO 0.09 -0.12 1.21 -2.16 0.00 0.00 0.00 175.10 174.12 1nzc s PRO 122 N 1.27 3.67 0.15 2.72 0.04 -1.26 -1.62 135.00 139.97 1nzc s PRO 122 Ca -0.05 1.90 -0.34 0.00 0.04 0.00 0.00 61.00 62.56 1nzc s PRO 122 Cb -0.20 -2.42 -0.16 0.00 0.04 0.00 0.00 34.50 31.76 1nzc s PRO 122 CO -0.01 -0.66 1.25 2.89 0.04 0.00 0.00 177.00 180.51 1nzc n ARG 123 N -0.51 1.27 0.00 4.56 1.85 -1.25 -1.99 116.66 120.59 1nzc n ARG 123 Ca 0.07 0.46 0.00 0.00 -1.00 0.00 0.00 57.85 57.38 1nzc n ARG 123 Cb 0.47 -2.02 0.00 0.00 -1.05 0.00 0.00 32.46 29.86 1nzc n ARG 123 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1nzc n GLY 124 N 2.22 0.60 3.53 2.89 0.00 -1.26 -5.00 105.19 108.17 1nzc n GLY 124 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 1nzc n GLY 124 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nzc s VAL 125 N -2.08 4.67 0.16 1.61 1.01 -0.84 -1.56 120.40 123.38 1nzc s VAL 125 Ca 0.00 -0.06 -0.30 0.00 0.00 0.00 0.00 61.98 61.62 1nzc s VAL 125 Cb 0.00 -3.17 -0.08 0.00 0.00 0.00 0.00 36.38 33.13 1nzc s VAL 125 CO 0.00 0.35 1.31 0.00 0.00 0.00 0.00 175.10 176.76 1nzc s ALA 126 N 1.31 3.52 -0.08 5.51 0.00 0.47 -4.59 121.76 127.91 1nzc s ALA 126 Ca 0.05 1.07 0.01 0.00 0.00 0.00 0.00 51.96 53.09 1nzc s ALA 126 Cb -0.15 -3.49 -0.03 0.00 0.00 0.00 0.00 23.12 19.46 1nzc s ALA 126 CO 0.05 -0.53 -0.07 1.21 0.00 0.00 0.00 175.76 176.41 1nzc s ASN 127 N 0.58 4.60 0.28 0.00 2.47 -0.12 -2.04 114.94 120.72 1nzc s ASN 127 Ca 0.58 -0.05 -0.19 0.00 0.42 0.00 0.00 52.86 53.63 1nzc s ASN 127 Cb -0.36 -1.21 0.02 0.00 -1.45 0.00 0.00 41.25 38.25 1nzc s ASN 127 CO 0.35 0.34 0.68 -0.83 -3.72 0.00 0.00 177.10 173.92 1nzc s GLY 128 N -0.68 0.07 0.11 1.21 0.00 -0.39 -1.56 107.32 106.08 1nzc s GLY 128 Ca 0.10 -0.46 -0.24 0.00 0.00 0.00 0.00 44.72 44.12 1nzc s GLY 128 CO 0.02 -0.21 0.60 -0.11 0.00 0.00 0.00 173.10 173.40 1nzc s PHE 129 N -3.82 -0.55 -0.04 1.90 -0.12 -0.00 -1.24 117.98 114.11 1nzc s PHE 129 Ca 0.14 0.47 0.04 0.00 -0.05 0.00 0.00 56.93 57.53 1nzc s PHE 129 Cb -0.05 0.51 -0.00 0.00 -0.63 0.00 0.00 43.02 42.85 1nzc s PHE 129 CO 0.08 -0.79 -0.16 -1.14 -0.05 0.00 0.00 175.22 173.15 1nzc s GLN 130 N -3.21 1.68 -0.16 1.99 0.74 -0.65 -1.04 119.66 119.00 1nzc s GLN 130 Ca -0.01 -0.58 -0.29 0.00 0.05 0.00 0.00 55.36 54.52 1nzc s GLN 130 Cb -0.01 -1.48 -0.00 0.00 1.10 0.00 0.00 33.01 32.62 1nzc s GLN 130 CO -0.08 0.24 1.04 0.08 -0.55 0.00 0.00 175.29 176.03 1nzc s VAL 131 N 0.01 4.69 -0.17 1.34 1.01 -0.31 -0.42 120.40 126.54 1nzc s VAL 131 Ca -0.03 1.99 0.06 0.00 0.00 0.00 0.00 61.98 64.00 1nzc s VAL 131 Cb -0.11 -4.28 -0.22 0.00 0.00 0.00 0.00 36.38 31.77 1nzc s VAL 131 CO 0.02 -0.08 0.16 0.18 0.00 0.00 0.00 175.10 175.37 1nzc n LEU 132 N 5.65 1.74 -4.90 3.92 4.77 -0.34 -1.13 117.00 126.71 1nzc n LEU 132 Ca 0.10 0.08 -0.29 0.00 -0.03 0.00 0.00 56.01 55.88 1nzc n LEU 132 Cb 0.47 -0.39 0.13 0.00 -2.33 0.00 0.00 43.42 41.30 1nzc n LEU 132 CO 0.52 0.70 0.82 -0.94 -1.33 0.00 0.00 177.39 177.16 1nzc s SER 133 N -6.30 3.85 0.26 -1.43 1.04 -1.09 -4.90 113.70 105.14 1nzc s SER 133 Ca -0.20 0.58 -0.05 0.00 0.48 0.00 0.00 55.95 56.77 1nzc s SER 133 Cb 0.07 -0.90 0.31 0.00 0.10 0.00 0.00 66.02 65.61 1nzc s SER 133 CO 0.74 -2.30 1.94 0.44 0.98 0.00 0.00 173.24 175.04 1nzc h ASP 134 N -1.34 1.10 -5.22 7.02 3.32 -1.93 -3.12 116.42 116.25 1nzc h ASP 134 Ca -0.46 -0.03 -0.06 0.00 0.02 0.00 0.00 57.03 56.51 1nzc h ASP 134 Cb 1.29 -0.27 -0.08 0.00 0.22 0.00 0.00 39.33 40.49 1nzc h ASP 134 CO 0.54 0.80 -0.06 0.72 -1.72 0.00 0.00 179.24 179.52 1nzc s PHE 135 N -6.07 0.34 -0.09 4.55 -0.12 -1.26 -1.03 117.98 114.30 1nzc s PHE 135 Ca -0.13 -0.72 -0.20 0.00 -0.05 0.00 0.00 56.93 55.83 1nzc s PHE 135 Cb 0.18 0.27 0.05 0.00 -0.63 0.00 0.00 43.02 42.88 1nzc s PHE 135 CO 0.81 -1.07 0.48 0.54 -0.05 0.00 0.00 175.22 175.93 1nzc s VAL 136 N -3.82 0.02 -0.28 -2.49 0.11 -0.32 -4.26 120.40 109.36 1nzc s VAL 136 Ca 0.21 -0.18 -0.08 0.00 -2.93 0.00 0.00 61.98 59.01 1nzc s VAL 136 Cb -0.02 -0.75 -0.01 0.00 -1.53 0.00 0.00 36.38 34.07 1nzc s VAL 136 CO 0.10 -0.10 0.09 0.00 -3.33 0.00 0.00 175.10 171.87 1nzc s ALA 137 N -0.73 3.16 -0.26 1.54 0.00 -1.26 -1.71 121.76 122.50 1nzc s ALA 137 Ca -0.08 -1.29 -0.03 0.00 0.00 0.00 0.00 51.96 50.56 1nzc s ALA 137 Cb -0.03 -2.17 0.02 0.00 0.00 0.00 0.00 23.12 20.94 1nzc s ALA 137 CO 0.05 -0.72 -0.03 -0.47 0.00 0.00 0.00 175.76 174.59 1nzc s TYR 138 N 1.58 3.08 -0.09 0.00 5.04 0.07 -1.12 117.35 125.90 1nzc s TYR 138 Ca 0.05 -1.39 0.03 0.00 -2.44 0.00 0.00 57.07 53.31 1nzc s TYR 138 Cb -0.16 -2.11 0.01 0.00 0.35 0.00 0.00 41.96 40.05 1nzc s TYR 138 CO 0.04 -0.69 -0.17 0.45 -1.34 0.00 0.00 175.55 173.84 1nzc s SER 139 N 1.37 2.43 0.04 4.32 0.15 -0.42 -0.69 113.70 120.91 1nzc s SER 139 Ca 0.01 -0.43 -0.04 0.00 0.70 0.00 0.00 55.95 56.19 1nzc s SER 139 Cb -0.17 -1.11 -0.02 0.00 -1.71 0.00 0.00 66.02 63.02 1nzc s SER 139 CO -0.03 0.06 0.05 -0.72 1.20 0.00 0.00 173.24 173.81 1nzc s TYR 140 N 0.70 0.30 -0.07 3.44 -0.85 -0.43 -1.91 117.35 118.53 1nzc s TYR 140 Ca -0.13 -0.69 -0.00 0.00 -0.52 0.00 0.00 57.07 55.73 1nzc s TYR 140 Cb -0.16 -0.21 -0.03 0.00 0.38 0.00 0.00 41.96 41.93 1nzc s TYR 140 CO 0.03 -0.37 -0.03 -0.51 -1.52 0.00 0.00 175.55 173.15 1nzc s LEU 141 N -2.37 3.40 0.18 -3.49 1.43 -0.37 -1.20 118.68 116.26 1nzc s LEU 141 Ca -0.02 0.06 0.03 0.00 -1.03 0.00 0.00 54.13 53.18 1nzc s LEU 141 Cb 0.01 -1.78 -0.05 0.00 0.03 0.00 0.00 46.19 44.41 1nzc s LEU 141 CO -0.06 0.36 -0.03 0.68 0.23 0.00 0.00 176.35 177.53 1nzc s VAL 142 N -0.87 0.92 -0.13 -1.59 -7.23 -0.22 -0.89 120.40 110.39 1nzc s VAL 142 Ca 0.13 -2.02 0.15 0.00 -1.81 0.00 0.00 61.98 58.44 1nzc s VAL 142 Cb -0.11 -2.09 0.30 0.00 0.56 0.00 0.00 36.38 35.04 1nzc s VAL 142 CO 0.03 -0.53 1.15 -0.46 -0.31 0.00 0.00 175.10 174.98 1nzc n ASN 143 N -0.27 1.85 -3.93 4.85 6.94 -1.24 -1.81 115.26 121.64 1nzc n ASN 143 Ca -0.07 -3.11 -0.09 0.00 -0.02 0.00 0.00 54.58 51.29 1nzc n ASN 143 Cb 0.63 -0.42 -0.04 0.00 -2.36 0.00 0.00 39.78 37.58 1nzc n ASN 143 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1nzc s ASP 144 N -2.70 -0.14 -0.27 0.53 -1.08 -1.26 -4.60 116.67 107.14 1nzc s ASP 144 Ca 0.30 -0.80 -0.04 0.00 -0.52 0.00 0.00 52.55 51.49 1nzc s ASP 144 Cb 0.28 0.61 0.02 0.00 -1.46 0.00 0.00 42.92 42.36 1nzc s ASP 144 CO -0.01 -1.16 0.01 -0.31 0.52 0.00 0.00 175.17 174.22 1nzc s TYR 145 N -3.98 3.10 0.38 -5.34 1.51 -1.26 -4.88 117.35 106.89 1nzc s TYR 145 Ca 0.18 -1.25 -0.28 0.00 -1.01 0.00 0.00 57.07 54.71 1nzc s TYR 145 Cb -0.02 -2.15 -0.11 0.00 -0.11 0.00 0.00 41.96 39.57 1nzc s TYR 145 CO 0.07 -0.65 1.46 1.87 -1.11 0.00 0.00 175.55 177.19 1nzc n TRP 146 N 4.77 2.87 -4.13 2.71 -0.00 -1.26 -5.05 117.44 117.34 1nzc n TRP 146 Ca -0.16 0.46 -0.19 0.00 -0.00 0.00 0.00 57.50 57.62 1nzc n TRP 146 Cb 0.48 -2.51 -0.16 0.00 -0.00 0.00 0.00 31.31 29.12 1nzc n TRP 146 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1nzc s ALA 147 N -1.13 0.57 0.29 5.87 0.00 -1.26 -5.05 121.76 121.05 1nzc s ALA 147 Ca 0.54 -0.05 0.03 0.00 0.00 0.00 0.00 51.96 52.49 1nzc s ALA 147 Cb -0.48 -0.34 0.72 0.00 0.00 0.00 0.00 23.12 23.02 1nzc s ALA 147 CO 0.63 0.01 1.67 1.25 0.00 0.00 0.00 175.76 179.32 1nzc h LEU 148 N 6.95 0.14 -1.81 0.00 6.46 -2.02 -0.52 115.31 124.50 1nzc h LEU 148 Ca -0.38 0.18 -0.01 0.00 -0.12 0.00 0.00 57.88 57.56 1nzc h LEU 148 Cb 1.16 0.21 -0.00 0.00 -0.73 0.00 0.00 40.66 41.30 1nzc h LEU 148 CO 0.48 -0.10 -0.03 -0.33 -0.62 0.00 0.00 178.44 177.84 1nzc h GLU 149 N 0.28 0.00 -0.01 1.25 3.07 -2.03 -2.71 114.58 114.43 1nzc h GLU 149 Ca 0.55 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.41 1nzc h GLU 149 Cb 1.10 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.01 1nzc h GLU 149 CO -0.60 0.03 -0.36 1.28 -1.40 0.00 0.00 179.01 177.96 1nzc n LEU 150 N -3.17 1.19 -0.17 1.33 4.32 -0.21 -4.50 117.00 115.79 1nzc n LEU 150 Ca -0.00 -0.35 0.16 0.00 -0.02 0.00 0.00 56.01 55.79 1nzc n LEU 150 Cb 0.26 -0.10 0.51 0.00 -1.62 0.00 0.00 43.42 42.47 1nzc n LEU 150 CO 0.26 0.23 1.21 0.50 -1.22 0.00 0.00 177.39 178.37 1nzc h LYS 151 N 1.31 0.38 -0.00 3.23 3.64 -1.44 0.48 116.57 124.17 1nzc h LYS 151 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1nzc h LYS 151 Cb 0.56 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.29 1nzc h LYS 151 CO 0.00 0.25 0.00 -1.35 -2.27 0.00 0.00 179.45 176.09 1nzc h PRO 152 N 0.39 0.00 0.00 1.90 0.11 -1.84 -1.84 132.00 130.72 1nzc h PRO 152 Ca 0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.49 1nzc h PRO 152 Cb 0.90 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.01 1nzc h PRO 152 CO -0.12 0.00 0.00 -0.22 -0.21 0.00 0.00 178.00 177.45 1nzc h LYS 153 N 0.00 0.00 -6.88 1.05 3.64 -1.23 -3.47 116.57 109.68 1nzc h LYS 153 Ca 0.00 0.00 -0.49 0.00 -1.27 0.00 0.00 60.65 58.89 1nzc h LYS 153 Cb 0.00 0.00 0.03 0.00 -0.41 0.00 0.00 32.23 31.86 1nzc h LYS 153 CO -0.00 0.00 0.07 0.71 -2.27 0.00 0.00 179.45 177.96 1nzc s TYR 154 N -3.18 3.56 -0.12 1.91 2.02 -0.69 -4.99 117.35 115.85 1nzc s TYR 154 Ca 0.08 0.75 -0.06 0.00 -0.37 0.00 0.00 57.07 57.47 1nzc s TYR 154 Cb 0.07 -2.25 -0.04 0.00 -0.40 0.00 0.00 41.96 39.34 1nzc s TYR 154 CO 0.65 -0.22 0.11 0.00 -1.57 0.00 0.00 175.55 174.52 1nzc s ALA 155 N -2.68 3.74 0.03 3.71 0.00 -1.23 -5.00 121.76 120.32 1nzc s ALA 155 Ca 0.46 -0.68 -0.08 0.00 0.00 0.00 0.00 51.96 51.67 1nzc s ALA 155 Cb -0.10 -1.90 0.00 0.00 0.00 0.00 0.00 23.12 21.12 1nzc s ALA 155 CO 0.44 0.56 0.16 -0.06 0.00 0.00 0.00 175.76 176.86 1nzc s PHE 156 N -0.84 0.08 0.01 0.00 0.40 -1.26 -0.57 117.98 115.79 1nzc s PHE 156 Ca 0.14 -0.27 0.00 0.00 -0.60 0.00 0.00 56.93 56.21 1nzc s PHE 156 Cb -0.12 -0.06 -0.01 0.00 0.51 0.00 0.00 43.02 43.34 1nzc s PHE 156 CO 0.03 -0.37 -0.02 0.54 0.70 0.00 0.00 175.22 176.10 1nzc s VAL 157 N -2.16 0.14 0.01 -0.44 0.11 -0.57 -4.48 120.40 113.02 1nzc s VAL 157 Ca -0.08 -0.45 -0.30 0.00 -2.93 0.00 0.00 61.98 58.22 1nzc s VAL 157 Cb -0.03 -0.20 -0.05 0.00 -1.53 0.00 0.00 36.38 34.57 1nzc s VAL 157 CO -0.02 -0.20 1.38 0.21 -3.33 0.00 0.00 175.10 173.14 1nzc s ASN 158 N -0.67 6.87 0.49 3.54 3.84 0.49 -4.04 114.94 125.45 1nzc s ASN 158 Ca -0.06 2.10 0.21 0.00 0.21 0.00 0.00 52.86 55.32 1nzc s ASN 158 Cb -0.05 -2.56 1.26 0.00 -0.55 0.00 0.00 41.25 39.35 1nzc s ASN 158 CO -0.00 -0.70 1.97 0.10 -2.79 0.00 0.00 177.10 175.68 1nzc h TYR 159 N 7.70 0.19 -0.12 0.43 -0.00 -1.79 -2.55 116.97 120.83 1nzc h TYR 159 Ca -0.38 0.01 0.00 0.00 0.00 0.00 0.00 58.73 58.36 1nzc h TYR 159 Cb 1.18 -0.06 0.00 0.00 0.00 0.00 0.00 36.73 37.85 1nzc h TYR 159 CO 0.74 0.08 0.00 0.00 -0.00 0.00 0.00 178.16 178.98 1nzc n ALA 160 N -2.60 2.53 -1.90 0.10 0.00 -1.26 -4.89 120.51 112.49 1nzc n ALA 160 Ca 0.11 -0.53 -0.43 0.00 0.00 0.00 0.00 53.44 52.60 1nzc n ALA 160 Cb 0.57 -1.09 -0.03 0.00 0.00 0.00 0.00 19.45 18.90 1nzc n ALA 160 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1nzc s ASP 161 N -1.73 6.03 0.00 0.00 -1.08 -0.96 -4.85 116.67 114.07 1nzc s ASP 161 Ca 0.34 1.74 0.23 0.00 -0.52 0.00 0.00 52.55 54.35 1nzc s ASP 161 Cb 0.19 -2.52 1.07 0.00 -1.46 0.00 0.00 42.92 40.20 1nzc s ASP 161 CO 0.29 -1.53 1.74 -0.81 0.52 0.00 0.00 175.17 175.39 1nzc n PRO 162 N 8.13 0.17 0.06 4.34 -0.04 -1.26 -2.23 135.00 144.17 1nzc n PRO 162 Ca 0.23 0.09 0.13 0.00 -0.04 0.00 0.00 63.50 63.91 1nzc n PRO 162 Cb 0.45 -1.50 0.49 0.00 -0.04 0.00 0.00 33.50 32.90 1nzc n PRO 162 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1nzc n SER 163 N -1.39 0.48 -4.73 3.54 3.41 -1.26 -4.79 113.62 108.88 1nzc n SER 163 Ca 0.08 0.53 -0.41 0.00 -0.26 0.00 0.00 58.87 58.81 1nzc n SER 163 Cb 0.22 -0.66 -0.03 0.00 -0.26 0.00 0.00 64.21 63.49 1nzc n SER 163 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1nzc s LEU 164 N -3.90 4.41 -1.39 1.04 1.43 -0.95 -4.94 118.68 114.38 1nzc s LEU 164 Ca 0.12 2.35 -0.12 0.00 -1.03 0.00 0.00 54.13 55.45 1nzc s LEU 164 Cb 0.15 -3.60 0.09 0.00 0.03 0.00 0.00 46.19 42.85 1nzc s LEU 164 CO 0.57 -0.53 2.12 -0.67 0.23 0.00 0.00 176.35 178.07 1nzc n ASP 165 N 2.92 4.54 -4.09 2.29 2.03 -1.26 -4.85 116.55 118.12 1nzc n ASP 165 Ca 0.07 -2.94 -0.07 0.00 0.52 0.00 0.00 54.79 52.36 1nzc n ASP 165 Cb 0.43 -1.58 -0.10 0.00 -0.72 0.00 0.00 41.12 39.15 1nzc n ASP 165 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1nzc s ILE 166 N 2.01 0.21 -0.12 5.18 -4.36 -1.26 -4.80 121.20 118.06 1nzc s ILE 166 Ca 0.45 -1.81 -0.02 0.00 -0.26 0.00 0.00 60.65 59.01 1nzc s ILE 166 Cb 0.13 -1.58 0.04 0.00 1.25 0.00 0.00 42.46 42.30 1nzc s ILE 166 CO -0.05 -0.93 0.02 -0.75 0.24 0.00 0.00 174.94 173.47 1nzc s LYS 167 N -3.93 0.56 0.62 0.37 2.47 -1.26 -5.10 119.74 113.47 1nzc s LYS 167 Ca 0.09 -0.07 -0.12 0.00 -1.56 0.00 0.00 55.97 54.31 1nzc s LYS 167 Cb 0.08 -1.40 -0.04 0.00 -1.46 0.00 0.00 37.83 35.01 1nzc s LYS 167 CO -0.09 -0.44 1.03 -1.58 0.16 0.00 0.00 175.35 174.43 1nzc s TRP 168 N 1.95 3.52 0.12 4.03 0.52 -1.26 -5.00 118.94 122.83 1nzc s TRP 168 Ca 0.03 1.34 -0.12 0.00 0.02 0.00 0.00 56.10 57.36 1nzc s TRP 168 Cb -0.14 -2.76 -0.07 0.00 -1.15 0.00 0.00 33.47 29.35 1nzc s TRP 168 CO -0.06 -0.74 1.43 1.49 0.02 0.00 0.00 176.95 179.08 1nzc h GLU 169 N -0.21 0.86 -2.16 4.98 4.57 -1.97 -3.40 114.58 117.24 1nzc h GLU 169 Ca -0.44 -0.49 -0.41 0.00 -1.18 0.00 0.00 59.36 56.84 1nzc h GLU 169 Cb 1.19 0.04 -0.33 0.00 -0.16 0.00 0.00 28.75 29.49 1nzc h GLU 169 CO 0.61 1.13 -0.71 1.21 -1.18 0.00 0.00 179.01 180.07 1nzc s ASN 170 N -6.81 1.74 0.17 1.04 3.84 -1.26 -5.01 114.94 108.65 1nzc s ASN 170 Ca -0.11 -1.49 -0.05 0.00 0.21 0.00 0.00 52.86 51.42 1nzc s ASN 170 Cb 0.10 0.32 0.05 0.00 -0.55 0.00 0.00 41.25 41.18 1nzc s ASN 170 CO 0.87 -0.31 1.46 0.25 -2.79 0.00 0.00 177.10 176.59 1nzc h LEU 171 N 7.40 0.68 0.10 3.21 7.12 -1.98 -2.79 115.31 129.04 1nzc h LEU 171 Ca -0.00 -0.38 -0.27 0.00 0.13 0.00 0.00 57.88 57.36 1nzc h LEU 171 Cb 1.04 -0.20 -0.01 0.00 -0.53 0.00 0.00 40.66 40.97 1nzc h LEU 171 CO 0.26 1.11 -1.24 -0.33 -0.13 0.00 0.00 178.44 178.11 1nzc h GLU 172 N 0.45 0.20 -0.48 1.25 3.07 -1.98 -3.10 114.58 114.00 1nzc h GLU 172 Ca -0.00 -0.35 -0.13 0.00 -0.50 0.00 0.00 59.36 58.38 1nzc h GLU 172 Cb 1.16 0.13 -0.08 0.00 -0.84 0.00 0.00 28.75 29.12 1nzc h GLU 172 CO 0.11 1.14 0.10 0.39 -1.40 0.00 0.00 179.01 179.35 1nzc n GLU 173 N -3.47 3.05 -1.93 2.33 1.02 -1.25 -5.01 120.64 115.38 1nzc n GLU 173 Ca -0.08 -3.03 -0.41 0.00 -0.02 0.00 0.00 57.16 53.62 1nzc n GLU 173 Cb 1.01 -2.00 -0.02 0.00 -0.02 0.00 0.00 31.44 30.41 1nzc n GLU 173 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1nzc s ALA 174 N -2.99 3.65 -0.41 0.62 0.00 -1.05 -4.87 121.76 116.72 1nzc s ALA 174 Ca 0.48 1.42 -0.17 0.00 0.00 0.00 0.00 51.96 53.70 1nzc s ALA 174 Cb 0.40 -3.59 0.02 0.00 0.00 0.00 0.00 23.12 19.95 1nzc s ALA 174 CO 0.09 -0.84 0.42 -2.00 0.00 0.00 0.00 175.76 173.43 1nzc s GLU 175 N -0.66 3.16 0.15 0.00 2.56 -0.72 -4.91 118.70 118.29 1nzc s GLU 175 Ca 0.59 -0.72 0.03 0.00 0.00 0.00 0.00 54.97 54.87 1nzc s GLU 175 Cb -0.44 -3.94 -0.04 0.00 2.00 0.00 0.00 34.13 31.70 1nzc s GLU 175 CO 0.47 -0.80 -0.06 0.14 -0.56 0.00 0.00 175.26 174.46 1nzc s VAL 176 N 2.09 0.93 0.61 3.70 -7.23 -1.26 -1.64 120.40 117.59 1nzc s VAL 176 Ca 0.12 -2.01 -0.13 0.00 -1.81 0.00 0.00 61.98 58.15 1nzc s VAL 176 Cb -0.17 -1.92 -0.04 0.00 0.56 0.00 0.00 36.38 34.81 1nzc s VAL 176 CO 0.13 -0.67 1.03 -0.94 -0.31 0.00 0.00 175.10 174.34 1nzc s SER 177 N -3.15 6.05 0.30 4.85 1.04 -1.26 -4.96 113.70 116.56 1nzc s SER 177 Ca 0.18 1.56 0.00 0.00 0.48 0.00 0.00 55.95 58.17 1nzc s SER 177 Cb 0.04 -2.49 0.50 0.00 0.10 0.00 0.00 66.02 64.17 1nzc s SER 177 CO 0.01 -0.99 1.91 -0.08 0.98 0.00 0.00 173.24 175.07 1nzc h GLU 178 N -0.04 1.03 -0.13 4.02 4.81 -2.01 -2.02 114.58 120.24 1nzc h GLU 178 Ca -0.45 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 1nzc h GLU 178 Cb 1.20 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 30.34 1nzc h GLU 178 CO 0.60 0.68 0.08 0.00 -0.73 0.00 0.00 179.01 179.64 1nzc h ALA 179 N 1.50 0.16 0.00 2.92 0.00 -1.98 -2.76 119.26 119.10 1nzc h ALA 179 Ca 0.39 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.23 1nzc h ALA 179 Cb 0.17 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1nzc h ALA 179 CO -0.14 -0.36 -0.29 -0.44 0.00 0.00 0.00 179.25 178.02 1nzc h ASP 180 N 0.16 0.00 0.28 0.00 3.32 -1.77 -1.33 116.42 117.08 1nzc h ASP 180 Ca 0.05 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.06 1nzc h ASP 180 Cb -0.01 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1nzc h ASP 180 CO -0.02 0.29 -0.19 -0.33 -1.72 0.00 0.00 179.24 177.27 1nzc h GLU 181 N 0.00 0.00 -0.14 3.56 5.08 -1.10 -3.33 114.58 118.65 1nzc h GLU 181 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1nzc h GLU 181 Cb 0.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1nzc h GLU 181 CO 0.04 0.19 0.00 0.09 -1.00 0.00 0.00 179.01 178.33 1nzc n ASN 182 N -4.04 2.23 -4.74 1.42 3.02 -0.54 -5.00 115.26 107.61 1nzc n ASN 182 Ca -0.02 -1.81 -0.36 0.00 -0.03 0.00 0.00 54.58 52.37 1nzc n ASN 182 Cb 0.27 -0.09 0.06 0.00 -0.61 0.00 0.00 39.78 39.41 1nzc n ASN 182 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1nzc s HIS 183 N -0.87 2.21 0.60 3.10 3.76 -0.99 -4.97 115.29 118.13 1nzc s HIS 183 Ca 0.11 1.53 -0.18 0.00 -0.15 0.00 0.00 55.06 56.37 1nzc s HIS 183 Cb 0.06 -3.53 -0.03 0.00 1.11 0.00 0.00 32.58 30.19 1nzc s HIS 183 CO 0.08 -2.51 1.16 -1.25 -0.85 0.00 0.00 174.74 171.37 1nzc s PRO 184 N -3.55 3.00 0.78 8.40 0.04 -1.26 -4.15 135.00 138.26 1nzc s PRO 184 Ca 0.77 1.67 -0.10 0.00 0.04 0.00 0.00 61.00 63.38 1nzc s PRO 184 Cb -0.32 -1.95 0.06 0.00 0.04 0.00 0.00 34.50 32.33 1nzc s PRO 184 CO 0.39 -1.14 1.09 -0.06 0.04 0.00 0.00 177.00 177.32 1nzc s PHE 185 N -1.81 2.54 0.31 0.56 0.40 -1.26 -0.38 117.98 118.34 1nzc s PHE 185 Ca 0.74 1.56 0.04 0.00 -0.60 0.00 0.00 56.93 58.67 1nzc s PHE 185 Cb -0.26 -3.06 0.65 0.00 0.51 0.00 0.00 43.02 40.86 1nzc s PHE 185 CO 0.33 -1.84 1.86 1.25 0.70 0.00 0.00 175.22 177.53 1nzc h LEU 186 N -1.16 0.82 -2.19 -0.37 5.85 -1.94 -0.70 115.31 115.62 1nzc h LEU 186 Ca -0.44 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.32 1nzc h LEU 186 Cb 1.23 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.14 1nzc h LEU 186 CO 0.51 0.44 0.00 0.07 -0.34 0.00 0.00 178.44 179.13 1nzc h LYS 187 N 0.88 0.00 -0.41 1.25 2.10 -2.02 -1.39 116.57 116.99 1nzc h LYS 187 Ca 0.46 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.11 1nzc h LYS 187 Cb 0.52 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.85 1nzc h LYS 187 CO -0.22 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 176.98 1nzc n ASP 188 N -2.88 3.35 -4.64 7.07 8.00 -0.28 -4.91 116.55 122.27 1nzc n ASP 188 Ca -0.01 -1.95 -0.39 0.00 0.71 0.00 0.00 54.79 53.15 1nzc n ASP 188 Cb 0.13 -0.27 -0.08 0.00 -0.02 0.00 0.00 41.12 40.88 1nzc n ASP 188 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1nzc s VAL 189 N -1.28 5.18 -0.16 2.53 1.01 -0.52 -4.96 120.40 122.20 1nzc s VAL 189 Ca 0.36 0.64 -0.29 0.00 0.00 0.00 0.00 61.98 62.69 1nzc s VAL 189 Cb 0.21 -3.72 -0.01 0.00 0.00 0.00 0.00 36.38 32.86 1nzc s VAL 189 CO 0.28 0.20 1.26 -0.75 0.00 0.00 0.00 175.10 176.08 1nzc s LYS 190 N 1.74 4.24 0.30 2.72 2.20 -1.26 -4.97 119.74 124.70 1nzc s LYS 190 Ca 0.17 1.66 -0.29 0.00 -0.36 0.00 0.00 55.97 57.14 1nzc s LYS 190 Cb -0.15 -3.75 -0.13 0.00 -1.51 0.00 0.00 37.83 32.29 1nzc s LYS 190 CO 0.09 -0.70 1.38 -2.30 -0.36 0.00 0.00 175.35 173.46 1nzc n PRO 191 N 6.55 2.19 -2.66 4.03 -0.02 -1.26 -4.90 135.00 138.93 1nzc n PRO 191 Ca 0.14 0.77 -0.43 0.00 -2.02 0.00 0.00 63.50 61.96 1nzc n PRO 191 Cb 0.45 -2.42 -0.02 0.00 -0.02 0.00 0.00 33.50 31.49 1nzc n PRO 191 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1nzc s LEU 192 N -0.56 4.06 0.55 2.45 1.43 -0.16 -4.55 118.68 121.90 1nzc s LEU 192 Ca 0.61 1.29 -0.07 0.00 -1.03 0.00 0.00 54.13 54.94 1nzc s LEU 192 Cb -0.59 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.08 1nzc s LEU 192 CO 0.56 -0.72 0.88 -0.13 0.23 0.00 0.00 176.35 177.16 1nzc s ARG 193 N 3.31 3.33 0.30 1.70 0.52 -1.26 -1.03 118.95 125.82 1nzc s ARG 193 Ca 0.44 0.24 0.06 0.00 -0.52 0.00 0.00 55.73 55.95 1nzc s ARG 193 Cb -0.14 -2.28 0.74 0.00 0.52 0.00 0.00 34.95 33.79 1nzc s ARG 193 CO 0.08 -0.46 1.76 0.87 0.02 0.00 0.00 175.30 177.58 1nzc h LYS 194 N -0.03 0.68 0.00 3.54 1.79 -1.92 0.46 116.57 121.09 1nzc h LYS 194 Ca -0.46 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 57.97 1nzc h LYS 194 Cb 1.22 -0.15 0.00 0.00 -1.58 0.00 0.00 32.23 31.72 1nzc h LYS 194 CO 0.61 0.45 0.00 -0.85 -1.08 0.00 0.00 179.45 178.58 1nzc n GLU 195 N -4.82 0.07 -0.02 3.15 0.00 -1.26 -2.08 120.64 115.68 1nzc n GLU 195 Ca 0.23 0.18 0.13 0.00 0.00 0.00 0.00 57.16 57.70 1nzc n GLU 195 Cb 0.59 -1.60 0.53 0.00 0.00 0.00 0.00 31.44 30.96 1nzc n GLU 195 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1nzc n ASP 196 N -1.72 1.33 0.00 -1.84 10.43 0.15 -5.25 116.55 119.65 1nzc n ASP 196 Ca 0.05 -1.50 0.00 0.00 2.57 0.00 0.00 54.79 55.90 1nzc n ASP 196 Cb 0.28 -0.03 0.00 0.00 1.84 0.00 0.00 41.12 43.21 1nzc n ASP 196 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31