#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f74 s ILE 1 N 0.00 3.50 0.58 3.17 2.07 -1.26 -5.10 121.20 124.16 2f74 s ILE 1 Ca 0.00 -2.98 -0.10 0.00 -1.41 0.00 0.00 60.65 56.16 2f74 s ILE 1 Cb 0.00 -3.31 -0.04 0.00 0.13 0.00 0.00 42.46 39.24 2f74 s ILE 1 CO 0.00 -0.86 0.97 -1.10 -1.91 0.00 0.00 174.94 172.05 2f74 s GLN 2 N -0.05 3.60 -0.04 3.50 -0.21 -1.26 -4.84 119.66 120.36 2f74 s GLN 2 Ca 0.17 0.64 -0.04 0.00 0.02 0.00 0.00 55.36 56.15 2f74 s GLN 2 Cb -0.21 -2.15 0.01 0.00 1.00 0.00 0.00 33.01 31.66 2f74 s GLN 2 CO -0.03 -0.47 0.10 1.03 -2.12 0.00 0.00 175.29 173.80 2f74 s ARG 3 N -5.02 0.12 0.13 2.91 0.52 0.13 -4.89 118.95 112.85 2f74 s ARG 3 Ca 0.53 0.14 -0.26 0.00 -0.52 0.00 0.00 55.73 55.63 2f74 s ARG 3 Cb -0.11 0.06 -0.07 0.00 0.52 0.00 0.00 34.95 35.35 2f74 s ARG 3 CO 0.51 -0.02 0.79 0.99 0.02 0.00 0.00 175.30 177.59 2f74 s THR 4 N 0.06 4.47 0.16 0.02 2.01 -1.26 -1.36 115.64 119.74 2f74 s THR 4 Ca -0.00 1.72 -0.33 0.00 0.31 0.00 0.00 61.69 63.38 2f74 s THR 4 Cb -0.01 -4.15 -0.13 0.00 0.01 0.00 0.00 72.50 68.22 2f74 s THR 4 CO 0.00 0.47 1.62 -2.65 -0.69 0.00 0.00 174.62 173.36 2f74 n PRO 5 N 2.00 2.28 -2.55 4.92 -0.02 -1.26 -4.27 135.00 136.10 2f74 n PRO 5 Ca -0.04 0.82 -0.34 0.00 -2.02 0.00 0.00 63.50 61.92 2f74 n PRO 5 Cb 0.49 -2.61 -0.04 0.00 -0.02 0.00 0.00 33.50 31.33 2f74 n PRO 5 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2f74 s LYS 6 N 1.07 3.81 -0.07 -0.52 1.02 0.02 -4.93 119.74 120.14 2f74 s LYS 6 Ca 0.78 1.35 -0.03 0.00 0.02 0.00 0.00 55.97 58.10 2f74 s LYS 6 Cb -0.64 -2.10 0.04 0.00 -0.52 0.00 0.00 37.83 34.61 2f74 s LYS 6 CO 0.37 -0.42 0.14 0.42 -0.92 0.00 0.00 175.35 174.95 2f74 s ILE 7 N -1.99 -0.16 0.12 2.17 1.01 -1.26 -2.20 121.20 118.89 2f74 s ILE 7 Ca 0.67 0.28 0.09 0.00 0.00 0.00 0.00 60.65 61.69 2f74 s ILE 7 Cb -0.16 -0.26 -0.04 0.00 0.01 0.00 0.00 42.46 42.01 2f74 s ILE 7 CO 0.20 0.12 -0.22 -1.10 0.00 0.00 0.00 174.94 173.93 2f74 s GLN 8 N 1.77 1.24 -0.03 2.79 -0.21 0.61 -4.96 119.66 120.85 2f74 s GLN 8 Ca -0.03 -1.27 0.01 0.00 0.02 0.00 0.00 55.36 54.10 2f74 s GLN 8 Cb -0.12 -1.53 0.02 0.00 1.00 0.00 0.00 33.01 32.38 2f74 s GLN 8 CO -0.06 0.35 -0.04 0.54 -2.12 0.00 0.00 175.29 173.96 2f74 s VAL 9 N -1.30 0.47 -0.05 1.09 0.11 -1.26 0.01 120.40 119.46 2f74 s VAL 9 Ca 0.11 -0.11 -0.31 0.00 -2.93 0.00 0.00 61.98 58.73 2f74 s VAL 9 Cb -0.09 -0.49 0.11 0.00 -1.53 0.00 0.00 36.38 34.38 2f74 s VAL 9 CO 0.05 0.20 1.04 -0.72 -3.33 0.00 0.00 175.10 172.34 2f74 s TYR 10 N 0.75 -0.23 -0.08 1.54 1.13 -0.32 -4.50 117.35 115.64 2f74 s TYR 10 Ca -0.09 0.10 -0.08 0.00 -1.41 0.00 0.00 57.07 55.59 2f74 s TYR 10 Cb -0.13 0.54 -0.04 0.00 -1.10 0.00 0.00 41.96 41.23 2f74 s TYR 10 CO -0.00 -0.44 0.20 -1.54 -2.51 0.00 0.00 175.55 171.26 2f74 s SER 11 N -2.47 6.47 0.29 -0.18 1.04 -1.26 0.29 113.70 117.89 2f74 s SER 11 Ca 0.08 0.55 -0.00 0.00 0.48 0.00 0.00 55.95 57.06 2f74 s SER 11 Cb -0.01 -2.10 0.48 0.00 0.10 0.00 0.00 66.02 64.50 2f74 s SER 11 CO -0.06 0.37 1.91 -0.09 0.98 0.00 0.00 173.24 176.35 2f74 h ARG 12 N 4.75 1.05 -5.47 4.02 2.43 -1.68 -3.43 114.38 116.05 2f74 h ARG 12 Ca -0.54 -0.06 -0.61 0.00 -0.81 0.00 0.00 59.98 57.96 2f74 h ARG 12 Cb 1.22 -0.24 -0.13 0.00 -0.42 0.00 0.00 29.97 30.40 2f74 h ARG 12 CO 0.60 0.70 -0.58 -1.01 -1.51 0.00 0.00 179.97 178.16 2f74 s HIS 13 N -5.94 2.27 0.13 2.20 0.09 -1.26 -5.05 115.29 107.72 2f74 s HIS 13 Ca -0.12 -0.80 -0.33 0.00 -0.00 0.00 0.00 55.06 53.81 2f74 s HIS 13 Cb 0.20 -1.63 -0.12 0.00 -0.00 0.00 0.00 32.58 31.02 2f74 s HIS 13 CO 0.80 0.29 1.71 -2.30 -0.00 0.00 0.00 174.74 175.25 2f74 n PRO 14 N -0.97 2.45 -1.84 8.40 -0.02 -1.26 -4.91 135.00 136.85 2f74 n PRO 14 Ca -0.07 0.89 -0.42 0.00 -2.02 0.00 0.00 63.50 61.88 2f74 n PRO 14 Cb 0.67 -2.71 -0.02 0.00 -0.02 0.00 0.00 33.50 31.41 2f74 n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2f74 s ALA 15 N 1.84 3.77 -0.19 3.55 0.00 -1.26 -4.98 121.76 124.49 2f74 s ALA 15 Ca 0.81 1.49 -0.02 0.00 0.00 0.00 0.00 51.96 54.24 2f74 s ALA 15 Cb -0.59 -3.64 0.06 0.00 0.00 0.00 0.00 23.12 18.95 2f74 s ALA 15 CO 0.38 -0.89 0.01 -2.00 0.00 0.00 0.00 175.76 173.26 2f74 s GLU 16 N 0.15 0.90 -0.06 0.00 2.12 -1.26 -5.09 118.70 115.47 2f74 s GLU 16 Ca 0.66 -0.50 -0.36 0.00 0.36 0.00 0.00 54.97 55.13 2f74 s GLU 16 Cb -0.46 -2.11 -0.14 0.00 0.26 0.00 0.00 34.13 31.67 2f74 s GLU 16 CO 0.41 -0.59 1.66 0.09 -0.54 0.00 0.00 175.26 176.29 2f74 n ASN 17 N 4.97 2.65 0.00 -1.70 3.02 -1.26 -0.90 115.26 122.04 2f74 n ASN 17 Ca -0.10 1.06 0.00 0.00 -0.03 0.00 0.00 54.58 55.51 2f74 n ASN 17 Cb 0.47 -1.27 0.00 0.00 -0.61 0.00 0.00 39.78 38.37 2f74 n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2f74 n GLY 18 N 3.72 0.77 3.51 7.41 0.00 0.11 -4.97 105.19 115.75 2f74 n GLY 18 Ca 0.22 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.90 2f74 n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2f74 s LYS 19 N -0.24 3.72 0.60 1.61 -0.14 -0.08 -5.00 119.74 120.20 2f74 s LYS 19 Ca 0.00 -0.49 -0.19 0.00 -1.36 0.00 0.00 55.97 53.94 2f74 s LYS 19 Cb 0.00 -3.01 -0.03 0.00 -1.68 0.00 0.00 37.83 33.11 2f74 s LYS 19 CO 0.00 0.20 1.23 -1.54 -0.76 0.00 0.00 175.35 174.48 2f74 s SER 20 N 0.51 5.08 0.04 2.83 1.04 -1.26 -4.33 113.70 117.60 2f74 s SER 20 Ca -0.02 2.46 -0.01 0.00 0.48 0.00 0.00 55.95 58.86 2f74 s SER 20 Cb -0.14 -2.61 0.01 0.00 0.10 0.00 0.00 66.02 63.38 2f74 s SER 20 CO 0.02 -1.67 0.07 -3.20 0.98 0.00 0.00 173.24 169.44 2f74 n ASN 21 N -1.61 -0.21 -4.05 7.02 2.85 0.82 -4.98 115.26 115.09 2f74 n ASN 21 Ca 0.14 -1.15 -0.22 0.00 -0.11 0.00 0.00 54.58 53.24 2f74 n ASN 21 Cb 0.49 0.35 -0.16 0.00 1.24 0.00 0.00 39.78 41.71 2f74 n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 2f74 s PHE 22 N -8.17 1.21 -0.18 1.20 0.40 -1.26 -1.05 117.98 110.12 2f74 s PHE 22 Ca 0.02 -0.31 -0.13 0.00 -0.60 0.00 0.00 56.93 55.91 2f74 s PHE 22 Cb -0.00 -0.83 -0.05 0.00 0.51 0.00 0.00 43.02 42.64 2f74 s PHE 22 CO 0.01 -0.11 0.24 -1.17 0.70 0.00 0.00 175.22 174.89 2f74 s LEU 23 N 0.10 4.22 -0.04 -0.37 2.96 -0.10 -1.61 118.68 123.84 2f74 s LEU 23 Ca -0.02 0.40 0.06 0.00 -0.22 0.00 0.00 54.13 54.35 2f74 s LEU 23 Cb -0.09 -2.28 -0.02 0.00 0.50 0.00 0.00 46.19 44.30 2f74 s LEU 23 CO 0.01 0.11 -0.23 0.20 -1.32 0.00 0.00 176.35 175.12 2f74 s ASN 24 N 0.53 3.31 -0.18 3.68 0.01 0.15 -1.43 114.94 121.01 2f74 s ASN 24 Ca 0.14 -0.41 -0.00 0.00 -0.71 0.00 0.00 52.86 51.87 2f74 s ASN 24 Cb -0.13 -0.57 0.05 0.00 0.41 0.00 0.00 41.25 41.01 2f74 s ASN 24 CO 0.02 0.31 -0.05 0.00 -1.51 0.00 0.00 177.10 175.88 2f74 s TYR 26 N 1.61 3.15 -0.08 0.00 5.04 0.10 -1.61 117.35 125.57 2f74 s TYR 26 Ca -0.00 -0.17 0.03 0.00 -2.44 0.00 0.00 57.07 54.48 2f74 s TYR 26 Cb -0.16 -2.29 -0.02 0.00 0.35 0.00 0.00 41.96 39.84 2f74 s TYR 26 CO -0.07 -0.25 -0.16 0.14 -1.34 0.00 0.00 175.55 173.87 2f74 s VAL 27 N 1.61 2.87 0.31 3.14 -7.23 -0.75 -0.29 120.40 120.06 2f74 s VAL 27 Ca 0.06 -0.77 -0.19 0.00 -1.81 0.00 0.00 61.98 59.28 2f74 s VAL 27 Cb -0.15 -2.14 0.03 0.00 0.56 0.00 0.00 36.38 34.68 2f74 s VAL 27 CO 0.06 0.57 0.74 -0.94 -0.31 0.00 0.00 175.10 175.22 2f74 s SER 28 N -0.27 -0.17 -1.71 4.85 1.04 -0.94 -0.59 113.70 115.92 2f74 s SER 28 Ca 0.01 -0.79 0.00 0.00 0.48 0.00 0.00 55.95 55.65 2f74 s SER 28 Cb -0.13 0.77 0.00 0.00 0.10 0.00 0.00 66.02 66.76 2f74 s SER 28 CO 0.03 -1.46 0.00 0.61 0.98 0.00 0.00 173.24 173.40 2f74 n GLY 29 N -0.48 1.57 3.95 7.32 0.00 -0.56 -0.80 105.19 116.20 2f74 n GLY 29 Ca -0.05 -0.10 -0.23 0.00 0.00 0.00 0.00 46.02 45.63 2f74 n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2f74 s PHE 30 N -2.47 3.48 -0.28 1.61 -0.71 -1.18 -4.22 117.98 114.20 2f74 s PHE 30 Ca 0.00 0.18 -0.22 0.00 -1.04 0.00 0.00 56.93 55.85 2f74 s PHE 30 Cb 0.00 -1.74 0.08 0.00 -1.21 0.00 0.00 43.02 40.15 2f74 s PHE 30 CO 0.00 0.30 0.77 -1.58 -1.34 0.00 0.00 175.22 173.37 2f74 s HIS 31 N -2.11 -0.82 0.12 3.49 2.46 -0.47 -1.66 115.29 116.30 2f74 s HIS 31 Ca 0.37 1.84 -0.02 0.00 0.47 0.00 0.00 55.06 57.72 2f74 s HIS 31 Cb -0.09 0.40 0.03 0.00 -0.13 0.00 0.00 32.58 32.78 2f74 s HIS 31 CO 0.32 -0.40 0.11 -0.35 -2.47 0.00 0.00 174.74 171.95 2f74 n PRO 32 N 3.18 -1.10 0.11 2.88 -0.04 -1.26 -0.69 135.00 138.08 2f74 n PRO 32 Ca -0.16 -0.18 0.02 0.00 -0.04 0.00 0.00 63.50 63.15 2f74 n PRO 32 Cb 0.56 -0.16 -0.00 0.00 -0.04 0.00 0.00 33.50 33.87 2f74 n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2f74 h SER 33 N -1.07 0.00 -2.22 3.54 4.64 -1.99 -3.45 113.55 113.01 2f74 h SER 33 Ca -0.04 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.70 2f74 h SER 33 Cb 0.12 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.24 2f74 h SER 33 CO 0.03 0.51 1.09 0.47 -0.87 0.00 0.00 176.83 178.06 2f74 n ASP 34 N -3.13 3.67 -3.79 4.97 9.92 -1.26 -4.96 116.55 121.97 2f74 n ASP 34 Ca -0.01 0.97 -0.09 0.00 -0.53 0.00 0.00 54.79 55.13 2f74 n ASP 34 Cb 0.76 -1.44 -0.06 0.00 -0.64 0.00 0.00 41.12 39.73 2f74 n ASP 34 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 2f74 s ILE 35 N 3.52 0.12 -0.11 0.53 2.07 -1.26 -4.72 121.20 121.36 2f74 s ILE 35 Ca 0.88 -1.01 0.01 0.00 -1.41 0.00 0.00 60.65 59.12 2f74 s ILE 35 Cb -0.59 -1.29 0.02 0.00 0.13 0.00 0.00 42.46 40.72 2f74 s ILE 35 CO 0.45 -0.56 -0.12 -1.61 -1.91 0.00 0.00 174.94 171.20 2f74 s GLU 36 N -3.84 1.86 -0.05 3.50 2.02 -0.85 -4.98 118.70 116.36 2f74 s GLU 36 Ca 0.04 -0.42 0.02 0.00 0.02 0.00 0.00 54.97 54.63 2f74 s GLU 36 Cb 0.04 -1.70 0.02 0.00 0.10 0.00 0.00 34.13 32.58 2f74 s GLU 36 CO -0.11 -0.14 -0.08 0.08 0.02 0.00 0.00 175.26 175.02 2f74 s VAL 37 N 1.25 0.80 0.08 2.63 1.01 -1.26 -0.58 120.40 124.33 2f74 s VAL 37 Ca -0.02 -0.28 0.07 0.00 0.00 0.00 0.00 61.98 61.74 2f74 s VAL 37 Cb -0.14 -0.77 -0.03 0.00 0.00 0.00 0.00 36.38 35.45 2f74 s VAL 37 CO -0.04 0.28 -0.18 -1.81 0.00 0.00 0.00 175.10 173.34 2f74 s ASP 38 N 0.77 2.19 -0.04 3.32 1.01 -0.76 -5.01 116.67 118.15 2f74 s ASP 38 Ca -0.13 -0.61 -0.04 0.00 0.71 0.00 0.00 52.55 52.48 2f74 s ASP 38 Cb -0.15 -0.12 -0.04 0.00 1.01 0.00 0.00 42.92 43.62 2f74 s ASP 38 CO 0.02 0.04 0.16 -0.76 0.21 0.00 0.00 175.17 174.83 2f74 s LEU 39 N -1.64 4.32 -0.03 1.23 1.43 -1.26 -0.82 118.68 121.90 2f74 s LEU 39 Ca 0.04 0.36 0.07 0.00 -1.03 0.00 0.00 54.13 53.57 2f74 s LEU 39 Cb -0.09 -2.41 -0.02 0.00 0.03 0.00 0.00 46.19 43.70 2f74 s LEU 39 CO 0.03 0.31 -0.24 -0.76 0.23 0.00 0.00 176.35 175.91 2f74 s LEU 40 N -1.63 2.05 -0.20 1.79 1.43 0.41 -0.99 118.68 121.54 2f74 s LEU 40 Ca 0.23 -0.47 -0.04 0.00 -1.03 0.00 0.00 54.13 52.83 2f74 s LEU 40 Cb -0.12 -1.29 -0.01 0.00 0.03 0.00 0.00 46.19 44.79 2f74 s LEU 40 CO 0.14 0.28 -0.05 -0.75 0.23 0.00 0.00 176.35 176.20 2f74 s LYS 41 N -0.41 3.45 -1.56 1.70 2.20 -0.18 -1.07 119.74 123.88 2f74 s LYS 41 Ca 0.04 -0.60 -0.03 0.00 -0.36 0.00 0.00 55.97 55.02 2f74 s LYS 41 Cb -0.11 -2.96 0.03 0.00 -1.51 0.00 0.00 37.83 33.28 2f74 s LYS 41 CO 0.01 -0.05 0.16 0.09 -0.36 0.00 0.00 175.35 175.19 2f74 n ASN 42 N 4.38 0.34 0.00 1.43 3.02 0.29 -1.43 115.26 123.29 2f74 n ASN 42 Ca -0.18 -1.22 0.00 0.00 -0.03 0.00 0.00 54.58 53.16 2f74 n ASN 42 Cb 0.51 -1.91 0.00 0.00 -0.61 0.00 0.00 39.78 37.78 2f74 n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2f74 n GLY 43 N -2.30 1.05 3.88 7.41 0.00 -1.26 -5.00 105.19 108.98 2f74 n GLY 43 Ca -0.27 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.40 2f74 n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2f74 s GLU 44 N -0.24 3.57 0.19 1.61 2.02 -0.51 -5.03 118.70 120.31 2f74 s GLU 44 Ca 0.00 -0.08 -0.32 0.00 0.02 0.00 0.00 54.97 54.59 2f74 s GLU 44 Cb 0.00 -3.09 -0.15 0.00 0.10 0.00 0.00 34.13 30.99 2f74 s GLU 44 CO 0.00 0.66 1.23 -2.13 0.02 0.00 0.00 175.26 175.04 2f74 n ARG 45 N 1.21 1.39 -3.22 1.61 0.63 -1.26 -1.01 116.66 116.01 2f74 n ARG 45 Ca -0.12 0.49 -0.39 0.00 -0.92 0.00 0.00 57.85 56.91 2f74 n ARG 45 Cb 0.53 -2.03 -0.06 0.00 0.45 0.00 0.00 32.46 31.34 2f74 n ARG 45 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 2f74 s ILE 46 N -0.16 5.10 -0.02 5.15 1.01 -0.16 -4.79 121.20 127.34 2f74 s ILE 46 Ca 0.72 1.03 -0.25 0.00 0.00 0.00 0.00 60.65 62.15 2f74 s ILE 46 Cb -0.80 -3.87 -0.20 0.00 0.01 0.00 0.00 42.46 37.60 2f74 s ILE 46 CO 0.52 0.19 1.25 -0.33 0.00 0.00 0.00 174.94 176.57 2f74 h GLU 47 N 7.30 0.07 -3.52 2.79 4.39 -1.95 -3.39 114.58 120.27 2f74 h GLU 47 Ca -0.35 -0.04 -0.63 0.00 0.34 0.00 0.00 59.36 58.68 2f74 h GLU 47 Cb 1.16 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.82 2f74 h GLU 47 CO 0.75 0.57 3.29 1.17 -1.16 0.00 0.00 179.01 183.62 2f74 n LYS 48 N -4.78 2.96 -3.72 2.33 4.81 -1.26 -4.90 118.16 113.60 2f74 n LYS 48 Ca -0.08 -2.16 -0.37 0.00 -0.87 0.00 0.00 58.31 54.83 2f74 n LYS 48 Cb 0.29 -2.90 -0.11 0.00 0.02 0.00 0.00 35.03 32.33 2f74 n LYS 48 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2f74 s VAL 49 N 2.97 4.88 0.38 3.15 1.01 -1.26 -4.64 120.40 126.89 2f74 s VAL 49 Ca 0.57 0.02 0.08 0.00 0.00 0.00 0.00 61.98 62.64 2f74 s VAL 49 Cb 0.15 -3.29 -0.03 0.00 0.00 0.00 0.00 36.38 33.21 2f74 s VAL 49 CO -0.05 0.33 0.27 -1.61 0.00 0.00 0.00 175.10 174.03 2f74 s GLU 50 N 1.41 2.46 0.11 2.72 2.02 -0.30 -4.90 118.70 122.23 2f74 s GLU 50 Ca 0.06 -1.56 -0.06 0.00 0.02 0.00 0.00 54.97 53.43 2f74 s GLU 50 Cb -0.15 -2.26 -0.02 0.00 0.10 0.00 0.00 34.13 31.80 2f74 s GLU 50 CO 0.06 -0.05 0.16 -3.38 0.02 0.00 0.00 175.26 172.07 2f74 s HIS 51 N -2.46 0.41 0.74 1.61 -3.43 -1.26 0.05 115.29 110.95 2f74 s HIS 51 Ca 0.43 -0.83 -0.11 0.00 -0.80 0.00 0.00 55.06 53.75 2f74 s HIS 51 Cb -0.02 -0.18 0.04 0.00 -1.43 0.00 0.00 32.58 30.98 2f74 s HIS 51 CO 0.25 -0.57 1.10 -1.54 -2.00 0.00 0.00 174.74 171.99 2f74 s SER 52 N -2.94 5.09 0.71 7.38 1.04 0.08 -4.97 113.70 120.09 2f74 s SER 52 Ca 0.12 1.17 -0.11 0.00 0.48 0.00 0.00 55.95 57.61 2f74 s SER 52 Cb 0.05 -1.93 0.02 0.00 0.10 0.00 0.00 66.02 64.26 2f74 s SER 52 CO -0.05 -1.57 1.09 -1.81 0.98 0.00 0.00 173.24 171.88 2f74 s ASP 53 N -4.22 5.39 0.34 7.02 1.01 -1.26 -4.67 116.67 120.27 2f74 s ASP 53 Ca 0.59 1.08 -0.26 0.00 0.71 0.00 0.00 52.55 54.67 2f74 s ASP 53 Cb -0.12 -1.87 -0.09 0.00 1.01 0.00 0.00 42.92 41.85 2f74 s ASP 53 CO 0.52 -1.37 1.02 -0.22 0.21 0.00 0.00 175.17 175.34 2f74 s LEU 54 N -5.36 4.33 0.21 1.23 2.96 -1.26 -4.86 118.68 115.93 2f74 s LEU 54 Ca 0.58 2.02 -0.10 0.00 -0.22 0.00 0.00 54.13 56.42 2f74 s LEU 54 Cb -0.11 -3.97 -0.01 0.00 0.50 0.00 0.00 46.19 42.60 2f74 s LEU 54 CO 0.51 -0.24 0.36 -0.44 -1.32 0.00 0.00 176.35 175.22 2f74 s SER 55 N -1.40 -0.01 0.00 3.68 0.01 -1.18 -5.02 113.70 109.77 2f74 s SER 55 Ca 0.51 -0.96 -0.01 0.00 1.31 0.00 0.00 55.95 56.81 2f74 s SER 55 Cb -0.23 0.50 -0.01 0.00 0.21 0.00 0.00 66.02 66.49 2f74 s SER 55 CO 0.30 -1.00 0.01 0.72 0.41 0.00 0.00 173.24 173.68 2f74 s PHE 56 N -4.01 0.08 0.84 2.43 -0.12 -1.26 -0.95 117.98 114.98 2f74 s PHE 56 Ca 0.22 -0.17 -0.08 0.00 -0.05 0.00 0.00 56.93 56.86 2f74 s PHE 56 Cb 0.02 -0.07 0.17 0.00 -0.63 0.00 0.00 43.02 42.51 2f74 s PHE 56 CO 0.06 -0.09 1.15 -1.12 -0.05 0.00 0.00 175.22 175.16 2f74 s SER 57 N -0.62 3.74 0.45 1.98 0.01 0.75 -4.89 113.70 115.13 2f74 s SER 57 Ca -0.07 -0.12 0.15 0.00 1.31 0.00 0.00 55.95 57.23 2f74 s SER 57 Cb -0.04 -0.09 1.04 0.00 0.21 0.00 0.00 66.02 67.14 2f74 s SER 57 CO -0.00 -2.29 2.00 0.11 0.41 0.00 0.00 173.24 173.47 2f74 h LYS 58 N -1.05 0.00 -0.02 12.44 1.57 -2.02 0.16 116.57 127.66 2f74 h LYS 58 Ca -0.40 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 2f74 h LYS 58 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 2f74 h LYS 58 CO 0.38 0.18 0.00 -0.40 -0.57 0.00 0.00 179.45 179.04 2f74 n ASP 59 N -4.26 0.11 0.00 0.86 5.75 -1.26 -4.85 116.55 112.90 2f74 n ASP 59 Ca -0.02 -1.88 0.00 0.00 -0.01 0.00 0.00 54.79 52.87 2f74 n ASP 59 Cb 0.24 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.32 2f74 n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 2f74 n TRP 60 N -0.50 0.00 -2.23 2.11 5.03 0.56 -5.02 117.44 117.40 2f74 n TRP 60 Ca 0.04 0.00 -0.29 0.00 3.03 0.00 0.00 57.50 60.27 2f74 n TRP 60 Cb 0.03 0.00 0.01 0.00 -1.03 0.00 0.00 31.31 30.32 2f74 n TRP 60 CO 0.00 0.00 0.00 -1.54 -0.03 0.00 0.00 177.69 176.12 2f74 s SER 61 N -3.05 6.12 0.09 -0.99 1.04 -1.25 -4.67 113.70 110.99 2f74 s SER 61 Ca 0.00 1.13 0.02 0.00 0.48 0.00 0.00 55.95 57.58 2f74 s SER 61 Cb 0.00 -2.26 -0.04 0.00 0.10 0.00 0.00 66.02 63.82 2f74 s SER 61 CO 0.00 -0.81 0.18 -0.36 0.98 0.00 0.00 173.24 173.23 2f74 s PHE 62 N -3.00 3.40 0.00 5.02 0.08 -0.66 -0.18 117.98 122.63 2f74 s PHE 62 Ca 0.52 0.16 -0.04 0.00 0.12 0.00 0.00 56.93 57.69 2f74 s PHE 62 Cb -0.11 -1.68 -0.01 0.00 -0.57 0.00 0.00 43.02 40.65 2f74 s PHE 62 CO 0.49 0.55 0.07 1.52 -0.10 0.00 0.00 175.22 177.75 2f74 s TYR 63 N -1.54 0.10 0.02 0.36 1.13 -0.13 -1.49 117.35 115.80 2f74 s TYR 63 Ca 0.33 -0.22 -0.17 0.00 -1.41 0.00 0.00 57.07 55.60 2f74 s TYR 63 Cb -0.12 -0.09 0.03 0.00 -1.10 0.00 0.00 41.96 40.68 2f74 s TYR 63 CO 0.26 -0.21 0.37 -0.51 -2.51 0.00 0.00 175.55 172.95 2f74 s LEU 64 N -1.19 0.58 -0.07 -3.49 1.43 0.25 -3.11 118.68 113.07 2f74 s LEU 64 Ca -0.13 0.02 0.04 0.00 -1.03 0.00 0.00 54.13 53.03 2f74 s LEU 64 Cb -0.07 1.56 0.00 0.00 0.03 0.00 0.00 46.19 47.71 2f74 s LEU 64 CO 0.00 -0.59 -0.19 -0.22 0.23 0.00 0.00 176.35 175.58 2f74 s LEU 65 N -1.77 1.92 0.03 1.79 2.96 -1.26 -1.82 118.68 120.53 2f74 s LEU 65 Ca -0.08 -0.43 0.04 0.00 -0.22 0.00 0.00 54.13 53.44 2f74 s LEU 65 Cb -0.02 -1.14 -0.03 0.00 0.50 0.00 0.00 46.19 45.49 2f74 s LEU 65 CO 0.00 0.13 -0.08 -0.31 -1.32 0.00 0.00 176.35 174.77 2f74 s TYR 66 N 0.31 2.83 0.16 5.38 1.51 -0.63 -0.74 117.35 126.17 2f74 s TYR 66 Ca -0.13 -0.09 -0.21 0.00 -1.01 0.00 0.00 57.07 55.64 2f74 s TYR 66 Cb -0.16 -1.56 0.06 0.00 -0.11 0.00 0.00 41.96 40.20 2f74 s TYR 66 CO 0.05 0.37 0.56 1.52 -1.11 0.00 0.00 175.55 176.95 2f74 s TYR 67 N -1.04 -0.41 0.03 2.71 1.13 0.11 -0.70 117.35 119.17 2f74 s TYR 67 Ca 0.18 0.15 -0.27 0.00 -1.41 0.00 0.00 57.07 55.73 2f74 s TYR 67 Cb -0.11 0.50 0.07 0.00 -1.10 0.00 0.00 41.96 41.31 2f74 s TYR 67 CO 0.09 -0.85 0.62 -0.08 -2.51 0.00 0.00 175.55 172.82 2f74 s THR 68 N -3.78 0.01 0.25 -3.49 -1.32 -0.51 -1.15 115.64 105.64 2f74 s THR 68 Ca 0.03 -0.05 -0.30 0.00 -1.21 0.00 0.00 61.69 60.16 2f74 s THR 68 Cb -0.01 -0.99 -0.09 0.00 -1.51 0.00 0.00 72.50 69.90 2f74 s THR 68 CO -0.11 -0.03 1.08 -1.61 -2.21 0.00 0.00 174.62 171.74 2f74 s GLU 69 N -2.19 4.66 0.23 7.08 2.02 -1.26 -0.92 118.70 128.31 2f74 s GLU 69 Ca -0.06 1.74 -0.08 0.00 0.02 0.00 0.00 54.97 56.58 2f74 s GLU 69 Cb -0.01 -3.22 -0.02 0.00 0.10 0.00 0.00 34.13 30.98 2f74 s GLU 69 CO 0.01 0.22 0.34 -0.59 0.02 0.00 0.00 175.26 175.26 2f74 s PHE 70 N -0.93 0.68 -0.29 1.61 -0.71 -0.22 -4.83 117.98 113.28 2f74 s PHE 70 Ca 0.45 -0.98 0.03 0.00 -1.04 0.00 0.00 56.93 55.38 2f74 s PHE 70 Cb -0.30 -0.11 0.08 0.00 -1.21 0.00 0.00 43.02 41.48 2f74 s PHE 70 CO 0.38 -0.85 -0.01 0.99 -1.34 0.00 0.00 175.22 174.40 2f74 s THR 71 N -4.07 1.94 0.23 -4.49 2.01 -1.26 -0.13 115.64 109.87 2f74 s THR 71 Ca 0.29 -1.82 -0.31 0.00 0.31 0.00 0.00 61.69 60.16 2f74 s THR 71 Cb 0.02 -2.28 -0.14 0.00 0.01 0.00 0.00 72.50 70.11 2f74 s THR 71 CO 0.10 -0.35 1.23 -2.65 -0.69 0.00 0.00 174.62 172.26 2f74 n PRO 72 N 4.45 1.59 -4.35 4.92 -0.02 -1.26 -4.83 135.00 135.50 2f74 n PRO 72 Ca -0.05 0.56 -0.18 0.00 -2.02 0.00 0.00 63.50 61.82 2f74 n PRO 72 Cb 0.42 -2.10 -0.10 0.00 -0.02 0.00 0.00 33.50 31.70 2f74 n PRO 72 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2f74 s THR 73 N -0.40 1.15 0.22 3.45 -4.23 -1.26 0.10 115.64 114.66 2f74 s THR 73 Ca 0.67 -2.05 -0.08 0.00 -1.18 0.00 0.00 61.69 59.05 2f74 s THR 73 Cb -0.72 -2.39 0.16 0.00 1.34 0.00 0.00 72.50 70.89 2f74 s THR 73 CO 0.54 -0.30 1.79 -0.08 -0.54 0.00 0.00 174.62 176.03 2f74 h GLU 74 N 2.42 0.63 -0.01 3.99 4.57 -1.96 -3.30 114.58 120.92 2f74 h GLU 74 Ca -0.39 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.76 2f74 h GLU 74 Cb 1.23 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.67 2f74 h GLU 74 CO 0.65 0.42 -0.28 1.63 -1.18 0.00 0.00 179.01 180.25 2f74 n LYS 75 N -4.82 1.87 -2.37 1.92 5.02 -1.26 -4.95 118.16 113.58 2f74 n LYS 75 Ca 0.10 -0.70 -0.41 0.00 -2.02 0.00 0.00 58.31 55.28 2f74 n LYS 75 Cb 0.22 -1.18 -0.04 0.00 -0.02 0.00 0.00 35.03 34.01 2f74 n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2f74 s ASP 76 N -1.65 7.12 -0.14 4.39 1.01 -1.25 -5.02 116.67 121.13 2f74 s ASP 76 Ca 0.11 2.35 0.01 0.00 0.71 0.00 0.00 52.55 55.72 2f74 s ASP 76 Cb 0.11 -2.63 -0.01 0.00 1.01 0.00 0.00 42.92 41.40 2f74 s ASP 76 CO 0.34 -0.28 -0.15 -1.61 0.21 0.00 0.00 175.17 173.67 2f74 s GLU 77 N -1.19 3.27 0.13 8.23 2.02 -1.26 -4.78 118.70 125.13 2f74 s GLU 77 Ca 0.48 -0.74 0.11 0.00 0.02 0.00 0.00 54.97 54.84 2f74 s GLU 77 Cb -0.34 -2.59 -0.04 0.00 0.10 0.00 0.00 34.13 31.26 2f74 s GLU 77 CO 0.42 0.12 -0.26 0.71 0.02 0.00 0.00 175.26 176.27 2f74 s TYR 78 N 0.56 2.33 0.18 1.61 2.02 -1.26 0.11 117.35 122.89 2f74 s TYR 78 Ca -0.09 -0.37 -0.23 0.00 -0.37 0.00 0.00 57.07 56.01 2f74 s TYR 78 Cb -0.16 -1.25 0.06 0.00 -0.40 0.00 0.00 41.96 40.21 2f74 s TYR 78 CO 0.04 0.35 0.62 0.00 -1.57 0.00 0.00 175.55 174.99 2f74 s ALA 79 N -1.10 -1.54 -0.17 3.71 0.00 -0.24 -0.85 121.76 121.56 2f74 s ALA 79 Ca 0.15 0.37 -0.01 0.00 0.00 0.00 0.00 51.96 52.47 2f74 s ALA 79 Cb -0.10 0.88 -0.00 0.00 0.00 0.00 0.00 23.12 23.90 2f74 s ALA 79 CO 0.07 -0.81 -0.13 0.00 0.00 0.00 0.00 175.76 174.88 2f74 s ARG 81 N 1.03 3.16 -0.13 0.00 3.52 -0.00 -1.07 118.95 125.46 2f74 s ARG 81 Ca -0.01 -0.46 -0.06 0.00 -0.13 0.00 0.00 55.73 55.07 2f74 s ARG 81 Cb -0.15 -2.92 0.06 0.00 -1.56 0.00 0.00 34.95 30.38 2f74 s ARG 81 CO -0.03 0.65 0.29 0.08 -0.81 0.00 0.00 175.30 175.48 2f74 s VAL 82 N -1.26 -0.15 -0.04 7.11 1.01 -0.72 -1.83 120.40 124.52 2f74 s VAL 82 Ca 0.25 0.17 0.06 0.00 0.00 0.00 0.00 61.98 62.46 2f74 s VAL 82 Cb -0.12 -0.46 -0.01 0.00 0.00 0.00 0.00 36.38 35.79 2f74 s VAL 82 CO 0.16 0.07 -0.22 0.21 0.00 0.00 0.00 175.10 175.32 2f74 s ASN 83 N 1.62 2.73 0.10 3.32 3.04 0.26 -2.12 114.94 123.89 2f74 s ASN 83 Ca -0.07 -0.45 -0.10 0.00 0.04 0.00 0.00 52.86 52.29 2f74 s ASN 83 Cb -0.10 -0.65 0.00 0.00 -1.54 0.00 0.00 41.25 38.96 2f74 s ASN 83 CO -0.10 0.23 0.23 -2.28 -3.04 0.00 0.00 177.10 172.14 2f74 s HIS 84 N -0.20 0.10 0.39 0.43 2.46 -1.26 -2.01 115.29 115.21 2f74 s HIS 84 Ca -0.01 -0.51 0.38 0.00 0.47 0.00 0.00 55.06 55.40 2f74 s HIS 84 Cb -0.12 -0.00 1.88 0.00 -0.13 0.00 0.00 32.58 34.20 2f74 s HIS 84 CO 0.02 -0.58 2.18 -0.39 -2.47 0.00 0.00 174.74 173.50 2f74 h VAL 85 N 2.67 0.05 0.00 0.89 -1.51 -1.95 -0.21 116.25 116.19 2f74 h VAL 85 Ca -0.34 -0.28 -0.02 0.00 -1.23 0.00 0.00 66.70 64.83 2f74 h VAL 85 Cb 1.21 1.26 -0.00 0.00 -2.13 0.00 0.00 31.29 31.63 2f74 h VAL 85 CO 0.54 0.01 -0.10 0.71 -1.23 0.00 0.00 177.57 177.50 2f74 h THR 86 N 0.00 0.21 -3.02 7.19 1.35 -1.91 -3.45 112.91 113.28 2f74 h THR 86 Ca -0.00 -1.00 -0.60 0.00 -0.55 0.00 0.00 66.41 64.25 2f74 h THR 86 Cb 0.26 1.84 -0.04 0.00 -1.73 0.00 0.00 68.15 68.48 2f74 h THR 86 CO 0.00 0.10 -0.36 -0.76 -0.25 0.00 0.00 175.52 174.25 2f74 s LEU 87 N -6.34 4.33 -0.21 3.87 1.43 -0.09 -5.00 118.68 116.67 2f74 s LEU 87 Ca 0.03 0.55 -0.17 0.00 -1.03 0.00 0.00 54.13 53.52 2f74 s LEU 87 Cb 0.08 -2.97 -0.12 0.00 0.03 0.00 0.00 46.19 43.20 2f74 s LEU 87 CO 0.63 0.16 -0.08 -1.54 0.23 0.00 0.00 176.35 175.75 2f74 n SER 88 N 0.61 1.88 -4.89 2.29 3.41 -1.26 -4.70 113.62 110.97 2f74 n SER 88 Ca -0.07 0.43 -0.35 0.00 -0.26 0.00 0.00 58.87 58.63 2f74 n SER 88 Cb 0.52 -0.88 -0.05 0.00 -0.26 0.00 0.00 64.21 63.54 2f74 n SER 88 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2f74 s GLN 89 N -2.44 3.57 0.58 4.33 -0.21 -1.26 -5.06 119.66 119.16 2f74 s GLN 89 Ca -0.29 -0.09 -0.19 0.00 0.02 0.00 0.00 55.36 54.81 2f74 s GLN 89 Cb 0.07 -3.08 -0.06 0.00 1.00 0.00 0.00 33.01 30.95 2f74 s GLN 89 CO 0.47 0.65 0.96 -2.30 -2.12 0.00 0.00 175.29 172.95 2f74 n PRO 90 N 1.12 0.95 -3.55 2.91 -0.02 -1.26 -4.94 135.00 130.20 2f74 n PRO 90 Ca -0.11 0.36 -0.41 0.00 -2.02 0.00 0.00 63.50 61.32 2f74 n PRO 90 Cb 0.53 -2.14 -0.11 0.00 -0.02 0.00 0.00 33.50 31.76 2f74 n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2f74 s LYS 91 N -2.64 3.00 -0.36 -0.52 2.47 -0.90 -4.86 119.74 115.93 2f74 s LYS 91 Ca 0.74 -0.97 -0.16 0.00 -1.56 0.00 0.00 55.97 54.02 2f74 s LYS 91 Cb -0.43 -3.80 -0.00 0.00 -1.46 0.00 0.00 37.83 32.14 2f74 s LYS 91 CO 0.49 -0.66 0.37 0.42 0.16 0.00 0.00 175.35 176.13 2f74 s ILE 92 N 1.62 5.16 -0.26 5.43 1.01 -1.26 -1.75 121.20 131.14 2f74 s ILE 92 Ca 0.04 -0.07 -0.10 0.00 0.00 0.00 0.00 60.65 60.51 2f74 s ILE 92 Cb -0.19 -3.87 -0.04 0.00 0.01 0.00 0.00 42.46 38.37 2f74 s ILE 92 CO 0.08 -0.17 0.15 -0.69 0.00 0.00 0.00 174.94 174.32 2f74 s VAL 93 N 2.02 5.08 0.54 2.92 1.01 -0.23 -4.95 120.40 126.79 2f74 s VAL 93 Ca 0.11 0.09 -0.17 0.00 0.00 0.00 0.00 61.98 62.01 2f74 s VAL 93 Cb -0.17 -3.40 -0.06 0.00 0.00 0.00 0.00 36.38 32.75 2f74 s VAL 93 CO 0.12 0.29 1.04 -0.54 0.00 0.00 0.00 175.10 176.01 2f74 s LYS 94 N 1.58 3.58 0.02 2.72 1.02 -1.26 -1.17 119.74 126.22 2f74 s LYS 94 Ca 0.07 1.23 -0.22 0.00 0.02 0.00 0.00 55.97 57.07 2f74 s LYS 94 Cb -0.15 -2.07 -0.06 0.00 -0.52 0.00 0.00 37.83 35.03 2f74 s LYS 94 CO 0.08 -0.60 0.65 -0.46 -0.92 0.00 0.00 175.35 174.09 2f74 s TRP 95 N -2.31 3.72 -0.20 3.18 -0.00 -0.03 -4.87 118.94 118.44 2f74 s TRP 95 Ca 0.64 1.30 0.01 0.00 -0.00 0.00 0.00 56.10 58.04 2f74 s TRP 95 Cb -0.15 -2.66 0.04 0.00 -0.00 0.00 0.00 33.47 30.70 2f74 s TRP 95 CO 0.30 0.36 -0.09 0.34 -0.00 0.00 0.00 176.95 177.86 2f74 s ASP 96 N -0.27 3.33 0.20 5.86 -1.08 -1.26 -4.77 116.67 118.67 2f74 s ASP 96 Ca 0.33 -0.87 -0.01 0.00 -0.52 0.00 0.00 52.55 51.48 2f74 s ASP 96 Cb -0.19 -1.15 0.44 0.00 -1.46 0.00 0.00 42.92 40.56 2f74 s ASP 96 CO 0.19 -0.17 1.04 0.54 0.52 0.00 0.00 175.17 177.30 2f74 n ARG 97 N 4.73 -0.06 -0.15 4.34 1.74 -1.26 -2.15 116.66 123.85 2f74 n ARG 97 Ca -0.14 1.01 0.02 0.00 -0.77 0.00 0.00 57.85 57.98 2f74 n ARG 97 Cb 0.46 -1.57 0.09 0.00 -1.02 0.00 0.00 32.46 30.42 2f74 n ARG 97 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2f74 n ASP 98 N -4.95 1.49 0.00 0.55 8.00 -1.26 -4.77 116.55 115.61 2f74 n ASP 98 Ca 0.14 -2.10 0.00 0.00 0.71 0.00 0.00 54.79 53.54 2f74 n ASP 98 Cb 0.46 -0.30 0.00 0.00 -0.02 0.00 0.00 41.12 41.25 2f74 n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04