#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3czf s ILE 1 N 0.00 3.94 0.20 1.12 -1.09 -1.26 -5.04 121.20 119.07 3czf s ILE 1 Ca 0.00 1.54 0.11 0.00 -2.23 0.00 0.00 60.65 60.07 3czf s ILE 1 Cb 0.00 -3.98 -0.04 0.00 -1.58 0.00 0.00 42.46 36.85 3czf s ILE 1 CO 0.00 0.20 -0.23 -1.10 -1.23 0.00 0.00 174.94 172.58 3czf s GLN 2 N 0.24 1.51 -0.07 2.79 -0.21 -1.26 -4.79 119.66 117.86 3czf s GLN 2 Ca 0.53 -1.53 0.01 0.00 0.02 0.00 0.00 55.36 54.39 3czf s GLN 2 Cb -0.29 -1.80 0.02 0.00 1.00 0.00 0.00 33.01 31.94 3czf s GLN 2 CO 0.33 0.38 -0.07 1.03 -2.12 0.00 0.00 175.29 174.84 3czf s ARG 3 N -2.72 1.20 0.35 2.91 0.52 0.14 -4.93 118.95 116.42 3czf s ARG 3 Ca 0.21 -0.20 -0.25 0.00 -0.52 0.00 0.00 55.73 54.97 3czf s ARG 3 Cb -0.08 -1.18 -0.10 0.00 0.52 0.00 0.00 34.95 34.12 3czf s ARG 3 CO 0.10 -0.12 0.98 -0.08 0.02 0.00 0.00 175.30 176.20 3czf s THR 4 N 1.14 4.08 0.35 0.02 -1.32 -1.26 -1.55 115.64 117.11 3czf s THR 4 Ca -0.07 1.66 -0.27 0.00 -1.21 0.00 0.00 61.69 61.80 3czf s THR 4 Cb -0.14 -3.89 -0.09 0.00 -1.51 0.00 0.00 72.50 66.86 3czf s THR 4 CO -0.01 0.08 1.21 -2.16 -2.21 0.00 0.00 174.62 171.52 3czf s PRO 5 N -2.24 4.26 0.42 7.08 0.04 -1.26 -4.47 135.00 138.82 3czf s PRO 5 Ca 0.53 1.97 -0.23 0.00 0.04 0.00 0.00 61.00 63.31 3czf s PRO 5 Cb -0.19 -2.91 -0.09 0.00 0.04 0.00 0.00 34.50 31.35 3czf s PRO 5 CO 0.24 -0.18 1.02 0.15 0.04 0.00 0.00 177.00 178.27 3czf s LYS 6 N -1.96 4.13 -0.04 4.56 -0.14 0.30 -4.90 119.74 121.69 3czf s LYS 6 Ca 0.52 1.40 0.00 0.00 -1.36 0.00 0.00 55.97 56.53 3czf s LYS 6 Cb -0.34 -2.41 0.03 0.00 -1.68 0.00 0.00 37.83 33.42 3czf s LYS 6 CO 0.44 -0.15 -0.00 0.42 -0.76 0.00 0.00 175.35 175.30 3czf s ILE 7 N -1.81 0.26 -0.03 2.17 1.01 -1.26 -1.82 121.20 119.72 3czf s ILE 7 Ca 0.60 0.08 0.04 0.00 0.00 0.00 0.00 60.65 61.36 3czf s ILE 7 Cb -0.18 -0.36 -0.00 0.00 0.01 0.00 0.00 42.46 41.92 3czf s ILE 7 CO 0.23 0.18 -0.14 -1.10 0.00 0.00 0.00 174.94 174.12 3czf s GLN 8 N 1.24 1.37 -0.13 2.79 -0.21 -0.48 -5.00 119.66 119.24 3czf s GLN 8 Ca -0.07 -0.47 0.02 0.00 0.02 0.00 0.00 55.36 54.86 3czf s GLN 8 Cb -0.13 -1.23 0.00 0.00 1.00 0.00 0.00 33.01 32.65 3czf s GLN 8 CO -0.02 0.20 -0.20 0.08 -2.12 0.00 0.00 175.29 173.23 3czf s VAL 9 N 0.05 2.32 0.12 1.09 1.01 -1.26 -0.69 120.40 123.04 3czf s VAL 9 Ca -0.02 -0.90 -0.26 0.00 0.00 0.00 0.00 61.98 60.79 3czf s VAL 9 Cb -0.09 -1.94 0.07 0.00 0.00 0.00 0.00 36.38 34.42 3czf s VAL 9 CO 0.01 0.54 0.98 -0.72 0.00 0.00 0.00 175.10 175.91 3czf s TYR 10 N 0.61 -0.15 0.17 5.22 1.13 -0.50 -4.60 117.35 119.22 3czf s TYR 10 Ca -0.11 -0.11 0.04 0.00 -1.41 0.00 0.00 57.07 55.48 3czf s TYR 10 Cb -0.16 0.62 -0.04 0.00 -1.10 0.00 0.00 41.96 41.28 3czf s TYR 10 CO 0.03 -0.74 0.19 -1.54 -2.51 0.00 0.00 175.55 170.97 3czf s SER 11 N -2.88 5.78 0.16 -0.18 1.04 -1.26 -0.40 113.70 115.96 3czf s SER 11 Ca 0.11 -0.04 -0.12 0.00 0.48 0.00 0.00 55.95 56.38 3czf s SER 11 Cb -0.01 -1.59 0.05 0.00 0.10 0.00 0.00 66.02 64.57 3czf s SER 11 CO 0.00 0.06 1.68 -0.09 0.98 0.00 0.00 173.24 175.86 3czf h ARG 12 N 2.26 0.86 -6.53 4.02 2.43 -1.48 -3.44 114.38 112.49 3czf h ARG 12 Ca -0.48 -0.20 -0.64 0.00 -0.81 0.00 0.00 59.98 57.85 3czf h ARG 12 Cb 1.20 -0.12 -0.17 0.00 -0.42 0.00 0.00 29.97 30.47 3czf h ARG 12 CO 0.65 0.80 -0.78 -1.01 -1.51 0.00 0.00 179.97 178.12 3czf s HIS 13 N -5.34 2.43 0.23 2.20 3.76 -1.26 -5.04 115.29 112.27 3czf s HIS 13 Ca -0.13 -0.30 -0.31 0.00 -0.15 0.00 0.00 55.06 54.17 3czf s HIS 13 Cb 0.12 -1.19 -0.14 0.00 1.11 0.00 0.00 32.58 32.48 3czf s HIS 13 CO 0.80 0.51 1.34 -2.30 -0.85 0.00 0.00 174.74 174.25 3czf n PRO 14 N 0.14 1.85 -2.14 8.40 -0.02 -1.26 -4.86 135.00 137.11 3czf n PRO 14 Ca -0.12 0.66 -0.41 0.00 -2.02 0.00 0.00 63.50 61.61 3czf n PRO 14 Cb 0.56 -2.27 -0.03 0.00 -0.02 0.00 0.00 33.50 31.74 3czf n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3czf s ALA 15 N -0.15 3.57 -0.08 3.55 0.00 -1.26 -5.02 121.76 122.36 3czf s ALA 15 Ca 0.68 1.19 -0.01 0.00 0.00 0.00 0.00 51.96 53.82 3czf s ALA 15 Cb -0.69 -3.51 0.03 0.00 0.00 0.00 0.00 23.12 18.95 3czf s ALA 15 CO 0.51 -0.61 -0.01 -1.21 0.00 0.00 0.00 175.76 174.43 3czf s GLU 16 N -0.12 0.81 0.22 0.00 2.02 -1.26 -5.12 118.70 115.24 3czf s GLU 16 Ca 0.58 0.01 -0.32 0.00 0.02 0.00 0.00 54.97 55.26 3czf s GLU 16 Cb -0.38 -1.15 -0.13 0.00 0.10 0.00 0.00 34.13 32.57 3czf s GLU 16 CO 0.39 -0.31 1.49 0.09 0.02 0.00 0.00 175.26 176.95 3czf n ASN 17 N 5.10 3.00 0.00 -0.19 3.02 -1.26 -1.42 115.26 123.51 3czf n ASN 17 Ca -0.08 1.12 0.00 0.00 -0.03 0.00 0.00 54.58 55.59 3czf n ASN 17 Cb 0.50 -1.45 0.00 0.00 -0.61 0.00 0.00 39.78 38.22 3czf n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3czf n GLY 18 N 2.61 1.01 3.43 7.41 0.00 0.12 -4.99 105.19 114.78 3czf n GLY 18 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 3czf n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3czf s LYS 19 N -0.18 3.56 0.48 1.61 2.20 -0.51 -4.99 119.74 121.91 3czf s LYS 19 Ca 0.00 -0.57 -0.23 0.00 -0.36 0.00 0.00 55.97 54.80 3czf s LYS 19 Cb 0.00 -2.89 -0.08 0.00 -1.51 0.00 0.00 37.83 33.35 3czf s LYS 19 CO 0.00 0.14 1.21 0.45 -0.36 0.00 0.00 175.35 176.78 3czf n SER 20 N 3.82 2.12 -1.40 1.43 2.88 -1.26 -4.19 113.62 117.03 3czf n SER 20 Ca -0.18 1.02 -0.02 0.00 -1.33 0.00 0.00 58.87 58.36 3czf n SER 20 Cb 0.52 -1.48 0.00 0.00 -0.75 0.00 0.00 64.21 62.50 3czf n SER 20 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 3czf n ASN 21 N -0.18 -0.44 -4.13 -3.46 2.85 0.56 -4.98 115.26 105.49 3czf n ASN 21 Ca 0.09 -1.37 -0.26 0.00 -0.11 0.00 0.00 54.58 52.94 3czf n ASN 21 Cb 0.42 0.75 -0.16 0.00 1.24 0.00 0.00 39.78 42.02 3czf n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 3czf s PHE 22 N -6.63 1.66 -0.24 1.20 0.40 -1.26 -1.48 117.98 111.62 3czf s PHE 22 Ca 0.04 -0.46 -0.11 0.00 -0.60 0.00 0.00 56.93 55.81 3czf s PHE 22 Cb -0.01 -1.12 -0.05 0.00 0.51 0.00 0.00 43.02 42.36 3czf s PHE 22 CO 0.03 -0.15 0.17 -1.17 0.70 0.00 0.00 175.22 174.80 3czf s LEU 23 N 0.01 4.11 -0.03 -0.37 2.96 0.21 -1.05 118.68 124.52 3czf s LEU 23 Ca -0.03 0.11 0.04 0.00 -0.22 0.00 0.00 54.13 54.04 3czf s LEU 23 Cb -0.11 -2.12 -0.03 0.00 0.50 0.00 0.00 46.19 44.44 3czf s LEU 23 CO 0.02 0.06 -0.15 0.20 -1.32 0.00 0.00 176.35 175.15 3czf s ASN 24 N 1.09 3.96 -0.20 3.68 0.01 0.46 -1.62 114.94 122.33 3czf s ASN 24 Ca 0.08 -0.24 0.00 0.00 -0.71 0.00 0.00 52.86 51.99 3czf s ASN 24 Cb -0.14 -0.79 0.05 0.00 0.41 0.00 0.00 41.25 40.78 3czf s ASN 24 CO 0.05 0.33 -0.07 0.00 -1.51 0.00 0.00 177.10 175.90 3czf s TYR 26 N 1.49 3.14 -0.11 0.00 5.04 0.14 -0.96 117.35 126.08 3czf s TYR 26 Ca -0.02 -0.26 0.00 0.00 -2.44 0.00 0.00 57.07 54.35 3czf s TYR 26 Cb -0.16 -2.30 -0.02 0.00 0.35 0.00 0.00 41.96 39.83 3czf s TYR 26 CO -0.08 -0.31 -0.11 0.14 -1.34 0.00 0.00 175.55 173.85 3czf s VAL 27 N 1.66 3.23 0.18 3.14 -7.23 -0.50 -1.38 120.40 119.51 3czf s VAL 27 Ca 0.06 -0.61 -0.13 0.00 -1.81 0.00 0.00 61.98 59.49 3czf s VAL 27 Cb -0.16 -2.35 0.01 0.00 0.56 0.00 0.00 36.38 34.44 3czf s VAL 27 CO 0.06 0.54 0.40 -0.94 -0.31 0.00 0.00 175.10 174.85 3czf s SER 28 N 0.06 -0.10 -0.77 4.85 1.04 -0.76 -1.02 113.70 117.01 3czf s SER 28 Ca -0.04 -0.70 0.00 0.00 0.48 0.00 0.00 55.95 55.69 3czf s SER 28 Cb -0.14 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.48 3czf s SER 28 CO 0.04 -0.98 0.00 0.61 0.98 0.00 0.00 173.24 173.89 3czf n GLY 29 N -0.28 0.80 3.69 7.32 0.00 -0.30 -0.54 105.19 115.89 3czf n GLY 29 Ca -0.08 -0.68 -0.25 0.00 0.00 0.00 0.00 46.02 45.00 3czf n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3czf s PHE 30 N -2.29 2.86 -0.26 1.61 -0.71 -1.17 -4.48 117.98 113.52 3czf s PHE 30 Ca 0.00 -0.15 -0.21 0.00 -1.04 0.00 0.00 56.93 55.53 3czf s PHE 30 Cb 0.00 -1.34 0.07 0.00 -1.21 0.00 0.00 43.02 40.54 3czf s PHE 30 CO 0.00 0.55 0.68 -1.58 -1.34 0.00 0.00 175.22 173.52 3czf s HIS 31 N -1.94 -0.84 1.14 3.49 2.46 -0.59 -1.33 115.29 117.67 3czf s HIS 31 Ca 0.29 1.91 -0.19 0.00 0.47 0.00 0.00 55.06 57.54 3czf s HIS 31 Cb -0.08 0.37 0.28 0.00 -0.13 0.00 0.00 32.58 33.02 3czf s HIS 31 CO 0.20 -0.41 1.11 -0.35 -2.47 0.00 0.00 174.74 172.82 3czf n PRO 32 N 3.25 -2.69 0.19 2.88 -0.04 -1.26 -0.69 135.00 136.64 3czf n PRO 32 Ca -0.16 -1.76 0.12 0.00 -0.04 0.00 0.00 63.50 61.67 3czf n PRO 32 Cb 0.56 -1.53 0.22 0.00 -0.04 0.00 0.00 33.50 32.71 3czf n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3czf h SER 33 N -2.46 0.00 -2.27 3.54 4.64 -1.99 -3.45 113.55 111.56 3czf h SER 33 Ca -0.40 -0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.35 3czf h SER 33 Cb 1.20 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.32 3czf h SER 33 CO 0.27 0.00 1.11 0.47 -0.87 0.00 0.00 176.83 177.81 3czf n ASP 34 N -2.88 3.78 -3.60 4.97 8.00 -1.26 -4.97 116.55 120.59 3czf n ASP 34 Ca 0.04 0.97 -0.16 0.00 0.71 0.00 0.00 54.79 56.35 3czf n ASP 34 Cb 0.51 -1.47 -0.07 0.00 -0.02 0.00 0.00 41.12 40.07 3czf n ASP 34 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 3czf s ILE 35 N 3.51 0.01 -0.14 0.53 2.07 -1.26 -4.62 121.20 121.30 3czf s ILE 35 Ca 0.87 -0.10 0.02 0.00 -1.41 0.00 0.00 60.65 60.04 3czf s ILE 35 Cb -0.56 -0.89 0.01 0.00 0.13 0.00 0.00 42.46 41.15 3czf s ILE 35 CO 0.44 -0.05 -0.21 -0.70 -1.91 0.00 0.00 174.94 172.50 3czf s GLU 36 N -0.91 2.95 -0.07 3.50 2.12 -0.53 -5.00 118.70 120.77 3czf s GLU 36 Ca -0.09 -0.83 0.02 0.00 0.36 0.00 0.00 54.97 54.42 3czf s GLU 36 Cb -0.02 -2.40 0.02 0.00 0.26 0.00 0.00 34.13 31.98 3czf s GLU 36 CO 0.07 -0.04 -0.10 0.08 -0.54 0.00 0.00 175.26 174.73 3czf s VAL 37 N 0.87 0.99 0.02 3.70 1.01 -1.26 -0.59 120.40 125.14 3czf s VAL 37 Ca -0.06 -0.38 0.05 0.00 0.00 0.00 0.00 61.98 61.60 3czf s VAL 37 Cb -0.15 -0.94 -0.03 0.00 0.00 0.00 0.00 36.38 35.26 3czf s VAL 37 CO -0.03 0.33 -0.13 -1.81 0.00 0.00 0.00 175.10 173.46 3czf s ASP 38 N 0.87 4.19 -0.12 3.32 1.01 -0.04 -4.98 116.67 120.91 3czf s ASP 38 Ca -0.11 -0.28 -0.05 0.00 0.71 0.00 0.00 52.55 52.81 3czf s ASP 38 Cb -0.15 -0.84 -0.04 0.00 1.01 0.00 0.00 42.92 42.90 3czf s ASP 38 CO 0.01 0.27 0.07 -0.76 0.21 0.00 0.00 175.17 174.97 3czf s LEU 39 N -1.39 3.92 -0.01 1.23 1.43 -1.26 -0.51 118.68 122.09 3czf s LEU 39 Ca 0.16 0.24 0.08 0.00 -1.03 0.00 0.00 54.13 53.57 3czf s LEU 39 Cb -0.11 -1.94 -0.02 0.00 0.03 0.00 0.00 46.19 44.15 3czf s LEU 39 CO 0.06 0.33 -0.24 -0.76 0.23 0.00 0.00 176.35 175.97 3czf s LEU 40 N -0.60 2.06 -0.22 1.79 1.43 0.28 -0.40 118.68 123.03 3czf s LEU 40 Ca 0.11 -0.45 0.02 0.00 -1.03 0.00 0.00 54.13 52.78 3czf s LEU 40 Cb -0.12 -1.24 0.04 0.00 0.03 0.00 0.00 46.19 44.91 3czf s LEU 40 CO 0.02 0.29 -0.15 -0.75 0.23 0.00 0.00 176.35 175.99 3czf s LYS 41 N -0.64 2.54 -1.54 1.70 2.20 -0.01 -1.74 119.74 122.27 3czf s LYS 41 Ca 0.09 -1.06 -0.11 0.00 -0.36 0.00 0.00 55.97 54.53 3czf s LYS 41 Cb -0.09 -2.69 0.08 0.00 -1.51 0.00 0.00 37.83 33.62 3czf s LYS 41 CO -0.01 -0.39 0.82 0.09 -0.36 0.00 0.00 175.35 175.50 3czf n ASN 42 N 4.55 -3.32 0.00 1.43 3.02 0.13 -1.46 115.26 119.61 3czf n ASN 42 Ca -0.17 -0.88 0.00 0.00 -0.03 0.00 0.00 54.58 53.50 3czf n ASN 42 Cb 0.46 -3.48 0.00 0.00 -0.61 0.00 0.00 39.78 36.15 3czf n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3czf n GLY 43 N -1.64 1.84 3.70 7.41 0.00 -1.26 -5.02 105.19 110.22 3czf n GLY 43 Ca -0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 3czf n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3czf s GLU 44 N -0.26 3.00 0.17 1.61 2.02 -0.53 -5.01 118.70 119.70 3czf s GLU 44 Ca 0.00 -0.41 -0.32 0.00 0.02 0.00 0.00 54.97 54.26 3czf s GLU 44 Cb 0.00 -2.81 -0.10 0.00 0.10 0.00 0.00 34.13 31.31 3czf s GLU 44 CO 0.00 0.70 1.58 0.50 0.02 0.00 0.00 175.26 178.06 3czf s ARG 45 N -1.00 4.21 0.09 1.61 3.52 -1.26 -0.83 118.95 125.29 3czf s ARG 45 Ca 0.14 2.39 -0.30 0.00 -0.13 0.00 0.00 55.73 57.83 3czf s ARG 45 Cb -0.11 -3.15 -0.06 0.00 -1.56 0.00 0.00 34.95 30.07 3czf s ARG 45 CO 0.04 -0.62 1.06 0.42 -0.81 0.00 0.00 175.30 175.38 3czf s ILE 46 N 1.15 4.31 0.47 4.11 1.01 0.47 -4.87 121.20 127.84 3czf s ILE 46 Ca 0.71 1.81 -0.14 0.00 0.00 0.00 0.00 60.65 63.03 3czf s ILE 46 Cb -0.44 -4.16 -0.07 0.00 0.01 0.00 0.00 42.46 37.80 3czf s ILE 46 CO 0.31 0.23 0.89 -1.61 0.00 0.00 0.00 174.94 174.75 3czf s GLU 47 N 0.36 3.86 -1.70 2.79 2.02 -1.26 -4.29 118.70 120.48 3czf s GLU 47 Ca 0.51 0.72 -0.02 0.00 0.02 0.00 0.00 54.97 56.21 3czf s GLU 47 Cb -0.26 -2.25 0.00 0.00 0.10 0.00 0.00 34.13 31.72 3czf s GLU 47 CO 0.31 -0.17 0.20 1.63 0.02 0.00 0.00 175.26 177.25 3czf n LYS 48 N -1.48 -2.72 -1.97 1.61 5.02 -1.26 -4.96 118.16 112.39 3czf n LYS 48 Ca 0.05 0.97 -0.41 0.00 -2.02 0.00 0.00 58.31 56.90 3czf n LYS 48 Cb 0.54 -5.69 -0.02 0.00 -0.02 0.00 0.00 35.03 29.84 3czf n LYS 48 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3czf s VAL 49 N -3.08 2.49 0.27 -0.18 1.01 -1.26 -4.99 120.40 114.66 3czf s VAL 49 Ca 0.10 0.44 0.04 0.00 0.00 0.00 0.00 61.98 62.56 3czf s VAL 49 Cb -0.04 -3.28 -0.03 0.00 0.00 0.00 0.00 36.38 33.03 3czf s VAL 49 CO 0.12 0.08 0.40 -1.61 0.00 0.00 0.00 175.10 174.10 3czf s GLU 50 N -0.99 3.43 0.08 2.72 0.41 -0.67 -4.93 118.70 118.75 3czf s GLU 50 Ca 0.56 -0.69 -0.09 0.00 -0.41 0.00 0.00 54.97 54.35 3czf s GLU 50 Cb -0.43 -2.84 -0.00 0.00 -1.78 0.00 0.00 34.13 29.08 3czf s GLU 50 CO 0.49 0.35 0.19 -3.38 -0.49 0.00 0.00 175.26 172.42 3czf s HIS 51 N -2.06 0.14 0.93 1.61 -3.43 -1.26 -1.00 115.29 110.21 3czf s HIS 51 Ca 0.36 -0.53 -0.12 0.00 -0.80 0.00 0.00 55.06 53.97 3czf s HIS 51 Cb -0.09 -0.06 0.15 0.00 -1.43 0.00 0.00 32.58 31.15 3czf s HIS 51 CO 0.31 -0.52 1.10 -1.54 -2.00 0.00 0.00 174.74 172.08 3czf s SER 52 N -2.71 3.23 0.14 7.38 1.04 -0.01 -5.00 113.70 117.77 3czf s SER 52 Ca 0.03 1.33 -0.25 0.00 0.48 0.00 0.00 55.95 57.54 3czf s SER 52 Cb 0.04 -2.01 -0.07 0.00 0.10 0.00 0.00 66.02 64.08 3czf s SER 52 CO -0.10 -2.77 0.77 -1.81 0.98 0.00 0.00 173.24 170.31 3czf s ASP 53 N -3.50 7.35 -0.01 7.02 1.01 -1.26 -4.79 116.67 122.48 3czf s ASP 53 Ca 0.64 1.60 -0.37 0.00 0.71 0.00 0.00 52.55 55.12 3czf s ASP 53 Cb -0.18 -2.49 -0.16 0.00 1.01 0.00 0.00 42.92 41.10 3czf s ASP 53 CO 0.57 0.17 1.49 -0.11 0.21 0.00 0.00 175.17 177.50 3czf n LEU 54 N 1.83 2.04 -4.23 1.23 7.94 -1.26 -4.95 117.00 119.60 3czf n LEU 54 Ca -0.05 1.10 -0.17 0.00 -1.11 0.00 0.00 56.01 55.78 3czf n LEU 54 Cb 0.49 -1.20 -0.08 0.00 0.53 0.00 0.00 43.42 43.16 3czf n LEU 54 CO 0.46 -0.78 -0.09 -0.55 -1.11 0.00 0.00 177.39 175.32 3czf s SER 55 N 1.48 1.20 0.10 1.96 0.15 -1.23 -5.05 113.70 112.31 3czf s SER 55 Ca 0.88 -1.62 -0.10 0.00 0.70 0.00 0.00 55.95 55.81 3czf s SER 55 Cb -0.95 0.54 0.00 0.00 -1.71 0.00 0.00 66.02 63.90 3czf s SER 55 CO 0.51 -1.05 0.23 0.72 1.20 0.00 0.00 173.24 174.84 3czf s PHE 56 N -3.55 0.10 0.72 3.44 -0.12 -1.26 -1.80 117.98 115.52 3czf s PHE 56 Ca 0.38 -0.52 -0.01 0.00 -0.05 0.00 0.00 56.93 56.73 3czf s PHE 56 Cb 0.03 -0.01 0.13 0.00 -0.63 0.00 0.00 43.02 42.53 3czf s PHE 56 CO 0.23 -0.57 1.00 -1.12 -0.05 0.00 0.00 175.22 174.70 3czf s SER 57 N -2.86 4.34 0.46 1.98 0.01 0.06 -4.93 113.70 112.75 3czf s SER 57 Ca 0.05 -0.31 0.11 0.00 1.31 0.00 0.00 55.95 57.11 3czf s SER 57 Cb 0.04 -0.08 1.03 0.00 0.21 0.00 0.00 66.02 67.22 3czf s SER 57 CO -0.11 -1.87 2.10 0.11 0.41 0.00 0.00 173.24 173.88 3czf h LYS 58 N -0.55 0.31 -0.11 12.44 1.57 -2.03 0.11 116.57 128.32 3czf h LYS 58 Ca -0.37 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.39 3czf h LYS 58 Cb 1.27 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.51 3czf h LYS 58 CO 0.41 0.21 0.00 -0.40 -0.57 0.00 0.00 179.45 179.10 3czf n ASP 59 N -4.50 0.62 0.00 0.86 5.68 -1.26 -4.89 116.55 113.06 3czf n ASP 59 Ca 0.01 -1.90 0.00 0.00 -0.50 0.00 0.00 54.79 52.40 3czf n ASP 59 Cb 0.07 -0.07 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 3czf n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 3czf n TRP 60 N -0.21 0.00 -2.28 2.11 7.02 0.03 -5.03 117.44 119.08 3czf n TRP 60 Ca 0.06 0.00 -0.35 0.00 -1.02 0.00 0.00 57.50 56.19 3czf n TRP 60 Cb 0.11 0.00 -0.00 0.00 -2.42 0.00 0.00 31.31 29.00 3czf n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 3czf s SER 61 N -3.48 5.89 0.37 -0.99 1.04 -1.26 -4.63 113.70 110.64 3czf s SER 61 Ca 0.00 2.19 -0.07 0.00 0.48 0.00 0.00 55.95 58.55 3czf s SER 61 Cb 0.00 -2.59 -0.05 0.00 0.10 0.00 0.00 66.02 63.48 3czf s SER 61 CO 0.00 -1.10 0.67 -0.36 0.98 0.00 0.00 173.24 173.43 3czf s PHE 62 N -1.73 3.49 0.00 5.02 0.08 -0.44 -0.77 117.98 123.64 3czf s PHE 62 Ca 0.70 0.80 -0.06 0.00 0.12 0.00 0.00 56.93 58.48 3czf s PHE 62 Cb -0.25 -2.25 -0.00 0.00 -0.57 0.00 0.00 43.02 39.96 3czf s PHE 62 CO 0.28 -0.01 0.12 1.52 -0.10 0.00 0.00 175.22 177.03 3czf s TYR 63 N -2.32 0.06 -0.01 0.36 -0.85 -0.75 -1.15 117.35 112.69 3czf s TYR 63 Ca 0.47 -0.15 -0.08 0.00 -0.52 0.00 0.00 57.07 56.79 3czf s TYR 63 Cb -0.10 -0.06 0.01 0.00 0.38 0.00 0.00 41.96 42.19 3czf s TYR 63 CO 0.33 -0.27 0.17 -0.51 -1.52 0.00 0.00 175.55 173.76 3czf s LEU 64 N -1.32 1.42 -0.17 -3.49 1.43 -0.19 -3.48 118.68 112.89 3czf s LEU 64 Ca -0.14 -0.05 -0.01 0.00 -1.03 0.00 0.00 54.13 52.90 3czf s LEU 64 Cb -0.08 0.74 -0.01 0.00 0.03 0.00 0.00 46.19 46.88 3czf s LEU 64 CO 0.01 -0.32 -0.12 -0.22 0.23 0.00 0.00 176.35 175.94 3czf s LEU 65 N -1.07 2.64 -0.08 1.79 2.96 -1.26 -1.41 118.68 122.25 3czf s LEU 65 Ca -0.11 -0.42 -0.03 0.00 -0.22 0.00 0.00 54.13 53.35 3czf s LEU 65 Cb -0.06 -1.62 -0.03 0.00 0.50 0.00 0.00 46.19 44.97 3czf s LEU 65 CO 0.02 0.07 0.04 -0.31 -1.32 0.00 0.00 176.35 174.84 3czf s TYR 66 N 0.91 3.26 0.02 5.38 1.51 -0.13 -0.83 117.35 127.47 3czf s TYR 66 Ca -0.03 0.26 -0.23 0.00 -1.01 0.00 0.00 57.07 56.06 3czf s TYR 66 Cb -0.15 -1.81 0.05 0.00 -0.11 0.00 0.00 41.96 39.94 3czf s TYR 66 CO -0.01 0.53 0.53 1.52 -1.11 0.00 0.00 175.55 177.01 3czf s TYR 67 N -0.95 -0.44 -0.04 2.71 1.13 -0.17 -0.47 117.35 119.12 3czf s TYR 67 Ca 0.15 0.57 -0.24 0.00 -1.41 0.00 0.00 57.07 56.14 3czf s TYR 67 Cb -0.12 0.33 0.05 0.00 -1.10 0.00 0.00 41.96 41.13 3czf s TYR 67 CO 0.04 -0.62 0.52 -0.08 -2.51 0.00 0.00 175.55 172.90 3czf s THR 68 N -2.13 0.02 0.42 -3.49 -1.32 -0.64 -1.67 115.64 106.84 3czf s THR 68 Ca -0.07 -0.20 -0.26 0.00 -1.21 0.00 0.00 61.69 59.95 3czf s THR 68 Cb -0.01 -0.83 -0.09 0.00 -1.51 0.00 0.00 72.50 70.06 3czf s THR 68 CO 0.01 -0.11 1.37 -1.61 -2.21 0.00 0.00 174.62 172.07 3czf s GLU 69 N -1.22 3.88 0.09 7.08 2.02 -1.26 -0.62 118.70 128.67 3czf s GLU 69 Ca -0.12 2.31 -0.16 0.00 0.02 0.00 0.00 54.97 57.02 3czf s GLU 69 Cb -0.02 -2.75 0.03 0.00 0.10 0.00 0.00 34.13 31.49 3czf s GLU 69 CO 0.07 -0.62 0.37 -0.59 0.02 0.00 0.00 175.26 174.52 3czf s PHE 70 N -1.22 -0.17 -0.32 1.61 -0.00 -0.55 -4.79 117.98 112.54 3czf s PHE 70 Ca 0.58 -0.07 0.03 0.00 -0.00 0.00 0.00 56.93 57.46 3czf s PHE 70 Cb -0.41 0.20 0.09 0.00 -0.00 0.00 0.00 43.02 42.90 3czf s PHE 70 CO 0.54 -0.63 0.04 0.99 -0.00 0.00 0.00 175.22 176.15 3czf s THR 71 N -3.37 1.95 0.58 -4.49 2.01 -1.26 -0.32 115.64 110.73 3czf s THR 71 Ca 0.00 -2.04 -0.19 0.00 0.31 0.00 0.00 61.69 59.77 3czf s THR 71 Cb 0.01 -2.40 -0.04 0.00 0.01 0.00 0.00 72.50 70.08 3czf s THR 71 CO -0.09 -0.55 1.22 -2.16 -0.69 0.00 0.00 174.62 172.36 3czf s PRO 72 N 1.09 3.06 0.34 4.92 0.04 -1.26 -4.77 135.00 138.42 3czf s PRO 72 Ca 0.08 1.87 0.04 0.00 0.04 0.00 0.00 61.00 63.04 3czf s PRO 72 Cb -0.19 -2.01 -0.03 0.00 0.04 0.00 0.00 34.50 32.31 3czf s PRO 72 CO -0.11 -1.15 0.16 0.95 0.04 0.00 0.00 177.00 176.89 3czf s THR 73 N -1.55 0.40 0.23 1.26 -4.23 -1.26 -0.70 115.64 109.78 3czf s THR 73 Ca 0.76 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 59.19 3czf s THR 73 Cb -0.31 -2.47 0.19 0.00 1.34 0.00 0.00 72.50 71.25 3czf s THR 73 CO 0.35 0.00 1.84 -0.08 -0.54 0.00 0.00 174.62 176.19 3czf h GLU 74 N 2.07 1.23 0.00 3.99 4.81 -1.97 -3.35 114.58 121.36 3czf h GLU 74 Ca -0.33 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 58.73 3czf h GLU 74 Cb 1.25 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 30.40 3czf h GLU 74 CO 0.52 0.91 -1.70 1.63 -0.73 0.00 0.00 179.01 179.64 3czf n LYS 75 N -4.34 0.49 -2.29 1.92 4.76 -1.26 -4.96 118.16 112.48 3czf n LYS 75 Ca 0.09 -0.14 -0.41 0.00 -2.87 0.00 0.00 58.31 54.98 3czf n LYS 75 Cb 0.11 -1.36 -0.03 0.00 -1.84 0.00 0.00 35.03 31.91 3czf n LYS 75 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3czf s ASP 76 N -3.77 6.98 -0.16 4.39 1.01 -1.26 -5.01 116.67 118.85 3czf s ASP 76 Ca -0.06 2.36 -0.05 0.00 0.71 0.00 0.00 52.55 55.51 3czf s ASP 76 Cb 0.10 -2.61 -0.03 0.00 1.01 0.00 0.00 42.92 41.38 3czf s ASP 76 CO 0.63 -0.44 0.01 -1.61 0.21 0.00 0.00 175.17 173.97 3czf s GLU 77 N -0.43 3.79 0.19 8.23 2.02 -1.26 -4.73 118.70 126.50 3czf s GLU 77 Ca 0.53 -0.42 0.11 0.00 0.02 0.00 0.00 54.97 55.21 3czf s GLU 77 Cb -0.35 -3.06 -0.04 0.00 0.10 0.00 0.00 34.13 30.78 3czf s GLU 77 CO 0.39 0.29 -0.22 0.71 0.02 0.00 0.00 175.26 176.45 3czf s TYR 78 N 0.29 2.35 0.26 1.61 2.02 -1.26 0.18 117.35 122.80 3czf s TYR 78 Ca 0.00 -0.34 -0.20 0.00 -0.37 0.00 0.00 57.07 56.16 3czf s TYR 78 Cb -0.13 -1.16 0.02 0.00 -0.40 0.00 0.00 41.96 40.29 3czf s TYR 78 CO 0.01 0.50 0.68 0.00 -1.57 0.00 0.00 175.55 175.17 3czf s ALA 79 N -1.65 -1.16 -0.05 3.71 0.00 -0.71 -0.57 121.76 121.33 3czf s ALA 79 Ca 0.21 -0.29 0.05 0.00 0.00 0.00 0.00 51.96 51.93 3czf s ALA 79 Cb -0.08 0.87 -0.01 0.00 0.00 0.00 0.00 23.12 23.90 3czf s ALA 79 CO 0.10 -0.99 -0.21 0.00 0.00 0.00 0.00 175.76 174.66 3czf s ARG 81 N -0.08 3.21 -0.10 0.00 3.52 0.33 -1.07 118.95 124.76 3czf s ARG 81 Ca -0.03 -0.76 0.03 0.00 -0.13 0.00 0.00 55.73 54.83 3czf s ARG 81 Cb -0.12 -2.57 0.01 0.00 -1.56 0.00 0.00 34.95 30.70 3czf s ARG 81 CO 0.03 0.07 -0.20 0.08 -0.81 0.00 0.00 175.30 174.47 3czf s VAL 82 N 0.67 1.81 -0.02 7.11 1.01 0.23 -0.87 120.40 130.34 3czf s VAL 82 Ca -0.08 -0.86 0.08 0.00 0.00 0.00 0.00 61.98 61.11 3czf s VAL 82 Cb -0.16 -1.59 -0.02 0.00 0.00 0.00 0.00 36.38 34.61 3czf s VAL 82 CO 0.02 0.50 -0.25 0.21 0.00 0.00 0.00 175.10 175.58 3czf s ASN 83 N 0.55 3.00 0.05 3.32 2.47 0.24 -0.93 114.94 123.63 3czf s ASN 83 Ca -0.15 -0.46 -0.21 0.00 0.42 0.00 0.00 52.86 52.46 3czf s ASN 83 Cb -0.17 -0.37 0.05 0.00 -1.45 0.00 0.00 41.25 39.31 3czf s ASN 83 CO 0.05 0.31 0.49 -2.28 -3.72 0.00 0.00 177.10 171.95 3czf s HIS 84 N -0.57 -0.37 0.57 0.43 5.65 -1.26 -1.45 115.29 118.29 3czf s HIS 84 Ca 0.09 0.38 0.26 0.00 0.25 0.00 0.00 55.06 56.04 3czf s HIS 84 Cb -0.10 0.31 1.64 0.00 -1.18 0.00 0.00 32.58 33.25 3czf s HIS 84 CO -0.01 -0.63 2.17 -0.24 -0.65 0.00 0.00 174.74 175.38 3czf h VAL 85 N 2.80 0.61 0.00 0.89 3.04 -1.95 -0.10 116.25 121.55 3czf h VAL 85 Ca -0.31 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.38 3czf h VAL 85 Cb 1.21 0.93 0.00 0.00 -2.01 0.00 0.00 31.29 31.43 3czf h VAL 85 CO 0.42 0.00 0.00 0.35 -1.01 0.00 0.00 177.57 177.33 3czf n THR 86 N -4.00 0.48 -4.16 3.17 -2.24 -1.26 -4.73 114.28 101.54 3czf n THR 86 Ca -0.01 0.12 -0.34 0.00 -2.27 0.00 0.00 64.05 61.55 3czf n THR 86 Cb 0.19 -0.75 -0.12 0.00 -2.10 0.00 0.00 70.33 67.55 3czf n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3czf s LEU 87 N -2.91 3.39 0.25 3.22 1.43 -0.05 -4.98 118.68 119.02 3czf s LEU 87 Ca 0.12 -0.11 0.07 0.00 -1.03 0.00 0.00 54.13 53.18 3czf s LEU 87 Cb 0.14 -1.85 0.27 0.00 0.03 0.00 0.00 46.19 44.79 3czf s LEU 87 CO 0.38 0.12 1.57 0.77 0.23 0.00 0.00 176.35 179.42 3czf h SER 88 N 7.08 0.14 -3.68 2.29 4.64 -1.85 -3.44 113.55 118.74 3czf h SER 88 Ca -0.34 -0.09 -0.45 0.00 -0.47 0.00 0.00 61.79 60.44 3czf h SER 88 Cb 1.18 -0.04 -0.32 0.00 -0.31 0.00 0.00 62.40 62.91 3czf h SER 88 CO 0.63 0.74 -0.79 -1.58 -0.87 0.00 0.00 176.83 174.96 3czf s GLN 89 N -3.64 1.13 0.46 4.77 2.00 -1.26 -5.13 119.66 117.99 3czf s GLN 89 Ca -0.03 -0.31 -0.24 0.00 -2.00 0.00 0.00 55.36 52.78 3czf s GLN 89 Cb 0.12 -1.03 -0.09 0.00 0.80 0.00 0.00 33.01 32.82 3czf s GLN 89 CO 0.78 0.07 1.19 -2.30 -0.50 0.00 0.00 175.29 174.54 3czf n PRO 90 N 3.51 1.65 -3.53 1.67 -0.02 -1.26 -4.96 135.00 132.06 3czf n PRO 90 Ca -0.20 0.59 -0.36 0.00 -2.02 0.00 0.00 63.50 61.51 3czf n PRO 90 Cb 0.53 -2.31 -0.07 0.00 -0.02 0.00 0.00 33.50 31.63 3czf n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3czf s LYS 91 N -2.31 4.25 -0.20 -0.52 2.20 -0.11 -4.88 119.74 118.17 3czf s LYS 91 Ca 0.64 0.10 -0.05 0.00 -0.36 0.00 0.00 55.97 56.30 3czf s LYS 91 Cb -0.50 -3.44 -0.03 0.00 -1.51 0.00 0.00 37.83 32.36 3czf s LYS 91 CO 0.55 0.21 0.00 0.42 -0.36 0.00 0.00 175.35 176.18 3czf s ILE 92 N 0.55 4.03 -0.20 5.43 1.01 -1.26 -0.60 121.20 130.15 3czf s ILE 92 Ca 0.16 -0.29 -0.01 0.00 0.00 0.00 0.00 60.65 60.52 3czf s ILE 92 Cb -0.13 -2.82 0.01 0.00 0.01 0.00 0.00 42.46 39.53 3czf s ILE 92 CO 0.04 0.43 -0.13 -0.69 0.00 0.00 0.00 174.94 174.59 3czf s VAL 93 N 0.91 2.57 0.32 2.92 1.01 -0.23 -4.98 120.40 122.91 3czf s VAL 93 Ca 0.01 -0.83 -0.27 0.00 0.00 0.00 0.00 61.98 60.90 3czf s VAL 93 Cb -0.14 -2.15 -0.09 0.00 0.00 0.00 0.00 36.38 33.99 3czf s VAL 93 CO 0.02 0.45 1.00 -0.54 0.00 0.00 0.00 175.10 176.02 3czf s LYS 94 N 1.35 4.55 0.07 2.72 1.02 -1.26 -0.97 119.74 127.22 3czf s LYS 94 Ca 0.04 1.49 -0.31 0.00 0.02 0.00 0.00 55.97 57.22 3czf s LYS 94 Cb -0.14 -2.91 -0.06 0.00 -0.52 0.00 0.00 37.83 34.20 3czf s LYS 94 CO -0.09 0.22 1.25 -0.46 -0.92 0.00 0.00 175.35 175.35 3czf s TRP 95 N -1.45 3.36 -0.18 3.18 -0.00 0.26 -4.90 118.94 119.21 3czf s TRP 95 Ca 0.49 1.20 0.01 0.00 -0.00 0.00 0.00 56.10 57.79 3czf s TRP 95 Cb -0.23 -3.49 0.03 0.00 -0.00 0.00 0.00 33.47 29.78 3czf s TRP 95 CO 0.30 -1.58 -0.12 0.34 -0.00 0.00 0.00 176.95 175.89 3czf s ASP 96 N 1.12 3.13 0.24 5.86 -1.08 -1.26 -4.73 116.67 119.95 3czf s ASP 96 Ca 0.60 -0.73 0.18 0.00 -0.52 0.00 0.00 52.55 52.08 3czf s ASP 96 Cb -0.31 -1.23 0.91 0.00 -1.46 0.00 0.00 42.92 40.83 3czf s ASP 96 CO 0.29 -0.10 1.56 -2.11 0.52 0.00 0.00 175.17 175.32 3czf n ARG 97 N 4.71 0.12 -0.33 4.34 1.85 -1.26 -1.39 116.66 124.71 3czf n ARG 97 Ca -0.16 0.54 0.09 0.00 -1.00 0.00 0.00 57.85 57.33 3czf n ARG 97 Cb 0.48 -1.84 0.27 0.00 -1.05 0.00 0.00 32.46 30.32 3czf n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 3czf n ASP 98 N -2.09 3.27 0.00 2.89 8.00 -1.26 -4.73 116.55 122.62 3czf n ASP 98 Ca -0.00 -2.05 0.00 0.00 0.71 0.00 0.00 54.79 53.45 3czf n ASP 98 Cb 0.08 -0.41 0.00 0.00 -0.02 0.00 0.00 41.12 40.77 3czf n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04