#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f74 s GLN 2 N 0.00 3.92 -0.04 0.38 -0.21 -1.26 -4.96 119.66 117.49 2f74 s GLN 2 Ca 0.00 0.26 0.03 0.00 0.02 0.00 0.00 55.36 55.67 2f74 s GLN 2 Cb 0.00 -3.27 -0.03 0.00 1.00 0.00 0.00 33.01 30.71 2f74 s GLN 2 CO 0.00 0.58 -0.12 1.03 -2.12 0.00 0.00 175.29 174.66 2f74 s ARG 3 N -0.66 2.52 0.16 2.91 0.52 -0.95 -4.96 118.95 118.49 2f74 s ARG 3 Ca 0.21 -0.69 -0.26 0.00 -0.52 0.00 0.00 55.73 54.47 2f74 s ARG 3 Cb -0.15 -2.42 -0.08 0.00 0.52 0.00 0.00 34.95 32.83 2f74 s ARG 3 CO 0.10 0.62 0.82 0.99 0.02 0.00 0.00 175.30 177.85 2f74 s THR 4 N -0.78 4.38 0.16 0.02 2.01 -1.26 -0.69 115.64 119.48 2f74 s THR 4 Ca 0.12 1.79 -0.33 0.00 0.31 0.00 0.00 61.69 63.58 2f74 s THR 4 Cb -0.11 -4.18 -0.16 0.00 0.01 0.00 0.00 72.50 68.06 2f74 s THR 4 CO 0.02 0.48 1.19 -2.65 -0.69 0.00 0.00 174.62 172.97 2f74 n PRO 5 N 1.85 1.19 -2.22 4.92 -0.02 -1.26 -4.29 135.00 135.17 2f74 n PRO 5 Ca -0.04 0.43 -0.31 0.00 -2.02 0.00 0.00 63.50 61.55 2f74 n PRO 5 Cb 0.49 -1.95 -0.01 0.00 -0.02 0.00 0.00 33.50 32.00 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 -0.28 3.78 -0.11 -0.52 1.02 -0.02 -4.95 119.74 118.67 2f74 s LYS 6 Ca 0.74 0.81 -0.05 0.00 0.02 0.00 0.00 55.97 57.50 2f74 s LYS 6 Cb -0.86 -2.14 0.05 0.00 -0.52 0.00 0.00 37.83 34.37 2f74 s LYS 6 CO 0.51 -0.38 0.24 0.42 -0.92 0.00 0.00 175.35 175.23 2f74 s ILE 7 N -2.84 -0.18 0.09 2.17 1.01 -1.26 -2.73 121.20 117.45 2f74 s ILE 7 Ca 0.56 0.21 0.08 0.00 0.00 0.00 0.00 60.65 61.50 2f74 s ILE 7 Cb -0.10 -0.39 -0.03 0.00 0.01 0.00 0.00 42.46 41.94 2f74 s ILE 7 CO 0.41 0.09 -0.21 -1.10 0.00 0.00 0.00 174.94 174.13 2f74 s GLN 8 N 1.72 1.20 -0.04 2.79 -0.21 -0.14 -4.96 119.66 120.02 2f74 s GLN 8 Ca -0.05 -1.10 0.02 0.00 0.02 0.00 0.00 55.36 54.25 2f74 s GLN 8 Cb -0.11 -1.43 0.01 0.00 1.00 0.00 0.00 33.01 32.48 2f74 s GLN 8 CO -0.08 0.34 -0.10 0.54 -2.12 0.00 0.00 175.29 173.86 2f74 s VAL 9 N -1.06 0.95 -0.01 1.09 0.11 -1.26 0.04 120.40 120.27 2f74 s VAL 9 Ca 0.07 -0.41 -0.29 0.00 -2.93 0.00 0.00 61.98 58.41 2f74 s VAL 9 Cb -0.10 -0.86 0.10 0.00 -1.53 0.00 0.00 36.38 34.00 2f74 s VAL 9 CO 0.04 0.30 1.04 -0.72 -3.33 0.00 0.00 175.10 172.43 2f74 s TYR 10 N 0.42 -0.19 0.05 1.54 1.13 -0.31 -4.51 117.35 115.48 2f74 s TYR 10 Ca -0.08 0.04 -0.08 0.00 -1.41 0.00 0.00 57.07 55.54 2f74 s TYR 10 Cb -0.12 0.56 -0.05 0.00 -1.10 0.00 0.00 41.96 41.25 2f74 s TYR 10 CO 0.02 -0.50 0.33 -1.54 -2.51 0.00 0.00 175.55 171.35 2f74 s SER 11 N -2.62 6.55 0.31 -0.18 1.04 -1.26 -0.18 113.70 117.36 2f74 s SER 11 Ca 0.09 0.65 -0.01 0.00 0.48 0.00 0.00 55.95 57.17 2f74 s SER 11 Cb -0.00 -2.12 0.48 0.00 0.10 0.00 0.00 66.02 64.48 2f74 s SER 11 CO -0.04 0.20 1.93 -0.09 0.98 0.00 0.00 173.24 176.22 2f74 h ARG 12 N 3.76 0.92 -5.54 4.02 2.43 -1.79 -3.44 114.38 114.75 2f74 h ARG 12 Ca -0.49 -0.10 -0.54 0.00 -0.81 0.00 0.00 59.98 58.04 2f74 h ARG 12 Cb 1.19 -0.18 -0.14 0.00 -0.42 0.00 0.00 29.97 30.42 2f74 h ARG 12 CO 0.67 0.68 -0.64 -1.01 -1.51 0.00 0.00 179.97 178.16 2f74 s HIS 13 N -5.61 2.14 0.19 2.20 0.09 -1.26 -5.06 115.29 107.98 2f74 s HIS 13 Ca -0.10 -0.73 -0.33 0.00 -0.00 0.00 0.00 55.06 53.90 2f74 s HIS 13 Cb 0.17 -1.34 -0.14 0.00 -0.00 0.00 0.00 32.58 31.28 2f74 s HIS 13 CO 0.79 0.30 1.55 -2.30 -0.00 0.00 0.00 174.74 175.07 2f74 n PRO 14 N -0.72 2.17 -1.92 8.40 -0.02 -1.26 -4.93 135.00 136.72 2f74 n PRO 14 Ca -0.04 0.78 -0.41 0.00 -2.02 0.00 0.00 63.50 61.80 2f74 n PRO 14 Cb 0.65 -2.53 -0.02 0.00 -0.02 0.00 0.00 33.50 31.58 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 0.67 3.67 -0.16 3.55 0.00 -1.26 -4.98 121.76 123.24 2f74 s ALA 15 Ca 0.76 1.42 -0.02 0.00 0.00 0.00 0.00 51.96 54.12 2f74 s ALA 15 Cb -0.66 -3.59 0.05 0.00 0.00 0.00 0.00 23.12 18.92 2f74 s ALA 15 CO 0.41 -0.84 0.03 -2.00 0.00 0.00 0.00 175.76 173.35 2f74 s GLU 16 N -0.49 0.65 0.13 0.00 2.12 -1.26 -5.10 118.70 114.74 2f74 s GLU 16 Ca 0.60 -0.28 -0.35 0.00 0.36 0.00 0.00 54.97 55.31 2f74 s GLU 16 Cb -0.44 -1.81 -0.16 0.00 0.26 0.00 0.00 34.13 31.98 2f74 s GLU 16 CO 0.46 -0.55 1.39 0.09 -0.54 0.00 0.00 175.26 176.11 2f74 n ASN 17 N 5.08 2.08 0.00 -1.70 3.02 -1.26 -1.51 115.26 120.97 2f74 n ASN 17 Ca -0.08 1.11 0.00 0.00 -0.03 0.00 0.00 54.58 55.58 2f74 n ASN 17 Cb 0.48 -1.27 0.00 0.00 -0.61 0.00 0.00 39.78 38.38 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 2.70 1.60 3.68 7.41 0.00 0.44 -4.99 105.19 116.03 2f74 n GLY 18 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.28 4.12 0.52 1.61 -0.14 -0.57 -4.99 119.74 120.03 2f74 s LYS 19 Ca 0.00 -0.16 -0.22 0.00 -1.36 0.00 0.00 55.97 54.23 2f74 s LYS 19 Cb 0.00 -3.51 -0.06 0.00 -1.68 0.00 0.00 37.83 32.58 2f74 s LYS 19 CO 0.00 0.10 1.32 -1.13 -0.76 0.00 0.00 175.35 174.88 2f74 n SER 20 N 4.14 2.57 -1.01 2.83 3.41 -1.26 -4.35 113.62 119.95 2f74 n SER 20 Ca -0.14 1.00 -0.00 0.00 -0.26 0.00 0.00 58.87 59.47 2f74 n SER 20 Cb 0.52 -1.55 -0.00 0.00 -0.26 0.00 0.00 64.21 62.92 2f74 n SER 20 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2f74 n ASN 21 N -0.72 -0.01 -4.07 4.04 2.85 0.11 -4.98 115.26 112.47 2f74 n ASN 21 Ca 0.10 -1.01 -0.25 0.00 -0.11 0.00 0.00 54.58 53.31 2f74 n ASN 21 Cb 0.44 0.02 -0.16 0.00 1.24 0.00 0.00 39.78 41.31 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 -6.89 1.49 -0.18 1.20 0.40 -1.26 -1.04 117.98 111.70 2f74 s PHE 22 Ca 0.00 -0.46 -0.16 0.00 -0.60 0.00 0.00 56.93 55.70 2f74 s PHE 22 Cb -0.00 -1.04 -0.04 0.00 0.51 0.00 0.00 43.02 42.45 2f74 s PHE 22 CO 0.00 -0.19 0.41 -1.17 0.70 0.00 0.00 175.22 174.97 2f74 s LEU 23 N 0.27 4.19 -0.10 -0.37 2.96 -0.10 -2.00 118.68 123.54 2f74 s LEU 23 Ca -0.07 0.60 0.03 0.00 -0.22 0.00 0.00 54.13 54.47 2f74 s LEU 23 Cb -0.12 -2.55 -0.01 0.00 0.50 0.00 0.00 46.19 44.01 2f74 s LEU 23 CO 0.02 -0.04 -0.20 0.20 -1.32 0.00 0.00 176.35 175.01 2f74 s ASN 24 N 0.87 3.42 -0.23 3.68 0.01 0.74 -1.71 114.94 121.72 2f74 s ASN 24 Ca 0.21 -0.46 0.02 0.00 -0.71 0.00 0.00 52.86 51.92 2f74 s ASN 24 Cb -0.15 -1.31 0.05 0.00 0.41 0.00 0.00 41.25 40.26 2f74 s ASN 24 CO 0.08 0.19 -0.10 0.00 -1.51 0.00 0.00 177.10 175.76 2f74 s TYR 26 N 1.25 3.18 -0.06 0.00 5.04 0.11 -1.71 117.35 125.16 2f74 s TYR 26 Ca -0.05 -0.05 0.03 0.00 -2.44 0.00 0.00 57.07 54.55 2f74 s TYR 26 Cb -0.18 -2.31 -0.03 0.00 0.35 0.00 0.00 41.96 39.79 2f74 s TYR 26 CO -0.07 -0.20 -0.12 0.14 -1.34 0.00 0.00 175.55 173.96 2f74 s VAL 27 N 1.61 3.23 0.25 3.14 -7.23 -0.78 -0.97 120.40 119.65 2f74 s VAL 27 Ca 0.07 -0.66 -0.22 0.00 -1.81 0.00 0.00 61.98 59.36 2f74 s VAL 27 Cb -0.15 -2.28 0.03 0.00 0.56 0.00 0.00 36.38 34.53 2f74 s VAL 27 CO 0.08 0.59 0.76 -0.94 -0.31 0.00 0.00 175.10 175.28 2f74 s SER 28 N -0.73 -0.26 -0.92 4.85 1.04 -1.11 -1.05 113.70 115.53 2f74 s SER 28 Ca 0.11 -0.54 0.00 0.00 0.48 0.00 0.00 55.95 56.00 2f74 s SER 28 Cb -0.11 0.68 0.00 0.00 0.10 0.00 0.00 66.02 66.69 2f74 s SER 28 CO 0.01 -1.24 0.00 0.61 0.98 0.00 0.00 173.24 173.59 2f74 n GLY 29 N -0.46 0.90 3.96 7.32 0.00 -0.62 -0.84 105.19 115.45 2f74 n GLY 29 Ca -0.05 -0.09 -0.22 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.90 3.42 -0.28 1.61 -0.71 -1.23 -4.25 117.98 114.64 2f74 s PHE 30 Ca 0.00 0.15 -0.24 0.00 -1.04 0.00 0.00 56.93 55.81 2f74 s PHE 30 Cb 0.00 -1.82 0.12 0.00 -1.21 0.00 0.00 43.02 40.10 2f74 s PHE 30 CO 0.00 0.18 0.98 -1.58 -1.34 0.00 0.00 175.22 173.46 2f74 s HIS 31 N -2.20 -0.54 0.00 3.49 2.46 0.13 -1.74 115.29 116.89 2f74 s HIS 31 Ca 0.39 1.28 0.00 0.00 0.47 0.00 0.00 55.06 57.20 2f74 s HIS 31 Cb -0.09 0.36 0.00 0.00 -0.13 0.00 0.00 32.58 32.72 2f74 s HIS 31 CO 0.33 -0.26 0.00 -0.35 -2.47 0.00 0.00 174.74 171.99 2f74 n PRO 32 N 2.52 0.35 0.00 2.88 -0.04 -1.26 -2.25 135.00 137.20 2f74 n PRO 32 Ca -0.14 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.25 2f74 n PRO 32 Cb 0.56 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.89 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 -0.39 0.00 -2.00 3.54 4.64 -1.99 -3.47 113.55 113.88 2f74 h SER 33 Ca 0.00 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.69 2f74 h SER 33 Cb 0.00 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 62.13 2f74 h SER 33 CO 0.00 0.97 0.90 0.47 -0.87 0.00 0.00 176.83 178.29 2f74 n ASP 34 N -3.11 2.97 -3.66 4.97 9.92 -1.26 -4.95 116.55 121.43 2f74 n ASP 34 Ca -0.12 1.04 -0.05 0.00 -0.53 0.00 0.00 54.79 55.12 2f74 n ASP 34 Cb 1.01 -1.34 -0.07 0.00 -0.64 0.00 0.00 41.12 40.08 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 2.52 -0.55 -0.25 0.53 2.07 -1.26 -4.71 121.20 119.55 2f74 s ILE 35 Ca 0.88 0.05 -0.15 0.00 -1.41 0.00 0.00 60.65 60.03 2f74 s ILE 35 Cb -0.77 -0.87 -0.04 0.00 0.13 0.00 0.00 42.46 40.91 2f74 s ILE 35 CO 0.48 0.02 0.36 -0.70 -1.91 0.00 0.00 174.94 173.19 2f74 s GLU 36 N 2.34 4.05 -0.07 3.50 2.12 -1.03 -4.97 118.70 124.65 2f74 s GLU 36 Ca -0.06 0.04 0.01 0.00 0.36 0.00 0.00 54.97 55.33 2f74 s GLU 36 Cb -0.10 -3.62 0.02 0.00 0.26 0.00 0.00 34.13 30.69 2f74 s GLU 36 CO -0.17 -0.20 -0.09 0.08 -0.54 0.00 0.00 175.26 174.34 2f74 s VAL 37 N 1.82 0.95 0.07 3.70 1.01 -1.26 -1.64 120.40 125.04 2f74 s VAL 37 Ca 0.15 -0.35 0.08 0.00 0.00 0.00 0.00 61.98 61.86 2f74 s VAL 37 Cb -0.15 -0.90 -0.03 0.00 0.00 0.00 0.00 36.38 35.29 2f74 s VAL 37 CO 0.09 0.32 -0.21 -1.81 0.00 0.00 0.00 175.10 173.49 2f74 s ASP 38 N 0.91 2.56 -0.12 3.32 1.01 -0.33 -5.00 116.67 119.02 2f74 s ASP 38 Ca -0.11 -0.60 -0.05 0.00 0.71 0.00 0.00 52.55 52.51 2f74 s ASP 38 Cb -0.15 -0.18 -0.04 0.00 1.01 0.00 0.00 42.92 43.56 2f74 s ASP 38 CO 0.01 0.13 0.05 -0.76 0.21 0.00 0.00 175.17 174.81 2f74 s LEU 39 N -1.50 3.87 -0.11 1.23 1.43 -1.26 -1.00 118.68 121.34 2f74 s LEU 39 Ca 0.07 0.23 0.01 0.00 -1.03 0.00 0.00 54.13 53.41 2f74 s LEU 39 Cb -0.09 -1.92 -0.02 0.00 0.03 0.00 0.00 46.19 44.19 2f74 s LEU 39 CO 0.03 0.34 -0.14 -0.76 0.23 0.00 0.00 176.35 176.05 2f74 s LEU 40 N -0.66 2.69 -0.24 1.79 1.43 -0.80 -0.77 118.68 122.12 2f74 s LEU 40 Ca 0.11 -0.30 -0.08 0.00 -1.03 0.00 0.00 54.13 52.84 2f74 s LEU 40 Cb -0.12 -1.58 -0.03 0.00 0.03 0.00 0.00 46.19 44.48 2f74 s LEU 40 CO 0.02 0.22 0.08 -0.75 0.23 0.00 0.00 176.35 176.15 2f74 s LYS 41 N 0.04 3.76 -1.21 1.70 2.20 -0.41 -2.05 119.74 123.77 2f74 s LYS 41 Ca -0.05 -0.43 -0.13 0.00 -0.36 0.00 0.00 55.97 55.00 2f74 s LYS 41 Cb -0.14 -3.34 0.02 0.00 -1.51 0.00 0.00 37.83 32.85 2f74 s LYS 41 CO 0.04 -0.09 0.25 0.09 -0.36 0.00 0.00 175.35 175.28 2f74 n ASN 42 N 4.66 -1.04 0.00 1.43 3.02 0.29 -1.76 115.26 121.87 2f74 n ASN 42 Ca -0.16 -1.12 0.00 0.00 -0.03 0.00 0.00 54.58 53.27 2f74 n ASN 42 Cb 0.52 -1.36 0.00 0.00 -0.61 0.00 0.00 39.78 38.32 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 -2.19 1.07 3.92 7.41 0.00 -1.26 -4.98 105.19 109.15 2f74 n GLY 43 Ca -0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.23 3.51 0.12 1.61 2.02 -0.72 -5.02 118.70 119.99 2f74 s GLU 44 Ca 0.00 -0.34 -0.30 0.00 0.02 0.00 0.00 54.97 54.35 2f74 s GLU 44 Cb 0.00 -2.92 -0.06 0.00 0.10 0.00 0.00 34.13 31.25 2f74 s GLU 44 CO 0.00 0.50 1.09 0.50 0.02 0.00 0.00 175.26 177.36 2f74 s ARG 45 N -2.89 4.57 0.17 1.61 3.52 -1.26 -1.29 118.95 123.37 2f74 s ARG 45 Ca 0.38 1.65 -0.27 0.00 -0.13 0.00 0.00 55.73 57.36 2f74 s ARG 45 Cb -0.12 -3.33 -0.08 0.00 -1.56 0.00 0.00 34.95 29.86 2f74 s ARG 45 CO 0.27 0.00 0.82 0.42 -0.81 0.00 0.00 175.30 176.01 2f74 s ILE 46 N 0.27 4.33 -0.12 4.11 1.01 0.05 -4.85 121.20 126.00 2f74 s ILE 46 Ca 0.52 1.81 0.20 0.00 0.00 0.00 0.00 60.65 63.18 2f74 s ILE 46 Cb -0.27 -4.19 -0.21 0.00 0.01 0.00 0.00 42.46 37.80 2f74 s ILE 46 CO 0.32 0.49 0.61 -0.62 0.00 0.00 0.00 174.94 175.74 2f74 n GLU 47 N 1.74 0.64 -1.95 2.79 -0.58 -1.26 -4.47 120.64 117.55 2f74 n GLU 47 Ca -0.04 -0.01 -0.38 0.00 -0.42 0.00 0.00 57.16 56.31 2f74 n GLU 47 Cb 0.48 -1.65 0.04 0.00 -0.57 0.00 0.00 31.44 29.74 2f74 n GLU 47 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 2f74 n LYS 48 N -2.56 2.82 -2.69 3.49 4.81 -1.26 -4.93 118.16 117.84 2f74 n LYS 48 Ca -0.09 -3.61 -0.43 0.00 -0.87 0.00 0.00 58.31 53.31 2f74 n LYS 48 Cb 0.72 -2.27 -0.03 0.00 0.02 0.00 0.00 35.03 33.47 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 -5.11 4.46 0.16 3.15 1.01 -1.26 -4.64 120.40 118.17 2f74 s VAL 49 Ca 0.52 1.43 0.03 0.00 0.00 0.00 0.00 61.98 63.96 2f74 s VAL 49 Cb 0.44 -4.43 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 2f74 s VAL 49 CO -0.38 -0.63 0.24 -1.61 0.00 0.00 0.00 175.10 172.72 2f74 s GLU 50 N 3.78 3.26 0.08 2.72 2.02 0.37 -4.89 118.70 126.04 2f74 s GLU 50 Ca 0.43 -0.70 0.02 0.00 0.02 0.00 0.00 54.97 54.75 2f74 s GLU 50 Cb -0.11 -2.86 -0.04 0.00 0.10 0.00 0.00 34.13 31.23 2f74 s GLU 50 CO 0.20 0.50 -0.07 -3.38 0.02 0.00 0.00 175.26 172.54 2f74 s HIS 51 N -1.76 0.81 0.68 1.61 -3.43 -1.26 -0.99 115.29 110.95 2f74 s HIS 51 Ca 0.33 -0.79 -0.11 0.00 -0.80 0.00 0.00 55.06 53.69 2f74 s HIS 51 Cb -0.11 -0.48 -0.00 0.00 -1.43 0.00 0.00 32.58 30.56 2f74 s HIS 51 CO 0.27 -0.14 1.08 -1.54 -2.00 0.00 0.00 174.74 172.41 2f74 s SER 52 N -2.59 5.67 0.61 7.38 1.04 -0.42 -5.00 113.70 120.39 2f74 s SER 52 Ca 0.05 1.23 -0.09 0.00 0.48 0.00 0.00 55.95 57.62 2f74 s SER 52 Cb 0.01 -2.11 -0.02 0.00 0.10 0.00 0.00 66.02 64.00 2f74 s SER 52 CO -0.03 -1.21 0.98 -1.81 0.98 0.00 0.00 173.24 172.15 2f74 s ASP 53 N -4.29 5.97 0.45 7.02 1.01 -1.26 -4.65 116.67 120.92 2f74 s ASP 53 Ca 0.57 1.16 -0.23 0.00 0.71 0.00 0.00 52.55 54.77 2f74 s ASP 53 Cb -0.11 -2.20 -0.08 0.00 1.01 0.00 0.00 42.92 41.54 2f74 s ASP 53 CO 0.53 -0.94 1.11 -0.22 0.21 0.00 0.00 175.17 175.85 2f74 s LEU 54 N -5.11 4.02 0.17 1.23 2.96 -1.26 -4.86 118.68 115.82 2f74 s LEU 54 Ca 0.54 2.15 -0.13 0.00 -0.22 0.00 0.00 54.13 56.47 2f74 s LEU 54 Cb -0.11 -4.29 0.01 0.00 0.50 0.00 0.00 46.19 42.31 2f74 s LEU 54 CO 0.51 -0.77 0.39 -0.44 -1.32 0.00 0.00 176.35 174.71 2f74 s SER 55 N -1.54 -0.11 0.05 3.68 0.01 -1.20 -5.02 113.70 109.56 2f74 s SER 55 Ca 0.63 -0.63 0.01 0.00 1.31 0.00 0.00 55.95 57.26 2f74 s SER 55 Cb -0.24 0.49 -0.03 0.00 0.21 0.00 0.00 66.02 66.45 2f74 s SER 55 CO 0.30 -0.94 -0.05 0.72 0.41 0.00 0.00 173.24 173.67 2f74 s PHE 56 N -3.90 0.54 0.66 2.43 -0.12 -1.26 -1.35 117.98 114.98 2f74 s PHE 56 Ca 0.11 -0.69 0.02 0.00 -0.05 0.00 0.00 56.93 56.33 2f74 s PHE 56 Cb 0.01 -0.35 0.11 0.00 -0.63 0.00 0.00 43.02 42.16 2f74 s PHE 56 CO -0.03 -0.19 0.92 -1.12 -0.05 0.00 0.00 175.22 174.75 2f74 s SER 57 N -2.04 4.64 0.50 1.98 0.01 0.44 -4.92 113.70 114.31 2f74 s SER 57 Ca -0.05 -0.47 0.28 0.00 1.31 0.00 0.00 55.95 57.02 2f74 s SER 57 Cb -0.04 -0.00 1.28 0.00 0.21 0.00 0.00 66.02 67.46 2f74 s SER 57 CO -0.03 -1.65 1.97 0.11 0.41 0.00 0.00 173.24 174.05 2f74 h LYS 58 N -0.27 0.00 0.00 12.44 1.57 -2.02 0.35 116.57 128.64 2f74 h LYS 58 Ca -0.35 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 2f74 h LYS 58 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.58 2f74 h LYS 58 CO 0.41 0.14 0.00 -0.40 -0.57 0.00 0.00 179.45 179.03 2f74 n ASP 59 N -3.42 0.00 0.00 0.86 5.75 -1.26 -4.85 116.55 113.63 2f74 n ASP 59 Ca -0.01 -1.49 0.00 0.00 -0.01 0.00 0.00 54.79 53.29 2f74 n ASP 59 Cb 0.32 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.41 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 -0.62 0.00 -2.43 2.11 7.02 0.12 -5.03 117.44 118.61 2f74 n TRP 60 Ca 0.05 0.00 -0.31 0.00 -1.02 0.00 0.00 57.50 56.22 2f74 n TRP 60 Cb 0.02 0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 28.89 2f74 n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2f74 s SER 61 N -3.38 6.49 0.11 -0.99 1.04 -1.24 -4.65 113.70 111.09 2f74 s SER 61 Ca 0.00 1.38 -0.07 0.00 0.48 0.00 0.00 55.95 57.75 2f74 s SER 61 Cb 0.00 -2.44 -0.06 0.00 0.10 0.00 0.00 66.02 63.63 2f74 s SER 61 CO 0.00 -0.59 0.38 -0.36 0.98 0.00 0.00 173.24 173.64 2f74 s PHE 62 N -2.68 3.51 -0.02 5.02 0.08 -0.71 -0.42 117.98 122.76 2f74 s PHE 62 Ca 0.55 0.64 -0.05 0.00 0.12 0.00 0.00 56.93 58.19 2f74 s PHE 62 Cb -0.10 -2.06 0.00 0.00 -0.57 0.00 0.00 43.02 40.30 2f74 s PHE 62 CO 0.37 0.47 0.12 1.52 -0.10 0.00 0.00 175.22 177.60 2f74 s TYR 63 N -1.55 -0.02 0.05 0.36 1.13 -0.46 -1.58 117.35 115.27 2f74 s TYR 63 Ca 0.38 0.05 -0.11 0.00 -1.41 0.00 0.00 57.07 55.98 2f74 s TYR 63 Cb -0.13 -0.02 0.01 0.00 -1.10 0.00 0.00 41.96 40.72 2f74 s TYR 63 CO 0.22 -0.18 0.23 -0.51 -2.51 0.00 0.00 175.55 172.80 2f74 s LEU 64 N -0.73 1.19 -0.13 -3.49 1.43 -0.22 -3.26 118.68 113.48 2f74 s LEU 64 Ca -0.08 -0.33 0.00 0.00 -1.03 0.00 0.00 54.13 52.69 2f74 s LEU 64 Cb -0.05 1.11 0.02 0.00 0.03 0.00 0.00 46.19 47.30 2f74 s LEU 64 CO 0.01 -0.59 -0.11 -0.22 0.23 0.00 0.00 176.35 175.66 2f74 s LEU 65 N -2.14 1.48 0.06 1.79 2.96 -1.26 -1.86 118.68 119.71 2f74 s LEU 65 Ca -0.04 -0.40 -0.00 0.00 -0.22 0.00 0.00 54.13 53.46 2f74 s LEU 65 Cb -0.01 -1.03 -0.04 0.00 0.50 0.00 0.00 46.19 45.61 2f74 s LEU 65 CO -0.04 -0.08 0.21 -0.31 -1.32 0.00 0.00 176.35 174.81 2f74 s TYR 66 N 1.54 3.52 -0.01 5.38 1.51 -0.69 -1.30 117.35 127.29 2f74 s TYR 66 Ca 0.04 0.26 -0.28 0.00 -1.01 0.00 0.00 57.07 56.08 2f74 s TYR 66 Cb -0.13 -1.77 0.09 0.00 -0.11 0.00 0.00 41.96 40.05 2f74 s TYR 66 CO -0.09 0.59 0.80 1.52 -1.11 0.00 0.00 175.55 177.26 2f74 s TYR 67 N -1.51 -0.47 0.05 2.71 1.13 -0.16 -1.21 117.35 117.88 2f74 s TYR 67 Ca 0.35 0.56 -0.18 0.00 -1.41 0.00 0.00 57.07 56.38 2f74 s TYR 67 Cb -0.13 0.49 0.04 0.00 -1.10 0.00 0.00 41.96 41.26 2f74 s TYR 67 CO 0.28 -0.58 0.42 -0.08 -2.51 0.00 0.00 175.55 173.07 2f74 s THR 68 N -2.34 0.06 0.27 -3.49 -1.32 -0.69 -0.48 115.64 107.65 2f74 s THR 68 Ca -0.01 -0.45 -0.29 0.00 -1.21 0.00 0.00 61.69 59.72 2f74 s THR 68 Cb -0.01 -0.96 -0.09 0.00 -1.51 0.00 0.00 72.50 69.93 2f74 s THR 68 CO -0.03 -0.25 1.16 -1.61 -2.21 0.00 0.00 174.62 171.68 2f74 s GLU 69 N -2.53 4.55 0.15 7.08 2.02 -1.26 -0.93 118.70 127.79 2f74 s GLU 69 Ca -0.05 1.90 -0.12 0.00 0.02 0.00 0.00 54.97 56.72 2f74 s GLU 69 Cb -0.01 -3.18 0.01 0.00 0.10 0.00 0.00 34.13 31.06 2f74 s GLU 69 CO -0.03 0.07 0.34 -0.59 0.02 0.00 0.00 175.26 175.08 2f74 s PHE 70 N -0.94 0.13 -0.29 1.61 -0.71 -0.21 -4.83 117.98 112.74 2f74 s PHE 70 Ca 0.47 -0.49 0.01 0.00 -1.04 0.00 0.00 56.93 55.88 2f74 s PHE 70 Cb -0.34 0.10 0.06 0.00 -1.21 0.00 0.00 43.02 41.64 2f74 s PHE 70 CO 0.43 -0.73 -0.05 0.99 -1.34 0.00 0.00 175.22 174.52 2f74 s THR 71 N -3.90 2.49 0.23 -4.49 2.01 -1.26 0.10 115.64 110.82 2f74 s THR 71 Ca 0.10 -1.65 -0.31 0.00 0.31 0.00 0.00 61.69 60.15 2f74 s THR 71 Cb 0.02 -2.50 -0.15 0.00 0.01 0.00 0.00 72.50 69.88 2f74 s THR 71 CO -0.05 -0.14 1.11 -2.65 -0.69 0.00 0.00 174.62 172.21 2f74 n PRO 72 N 4.48 1.31 -4.38 4.92 -0.02 -1.26 -4.85 135.00 135.20 2f74 n PRO 72 Ca -0.11 0.46 -0.19 0.00 -2.02 0.00 0.00 63.50 61.64 2f74 n PRO 72 Cb 0.42 -1.92 -0.10 0.00 -0.02 0.00 0.00 33.50 31.89 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 -0.55 0.62 0.16 3.45 -4.23 -1.26 -0.42 115.64 113.42 2f74 s THR 73 Ca 0.66 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 59.02 2f74 s THR 73 Cb -0.77 -2.59 0.04 0.00 1.34 0.00 0.00 72.50 70.52 2f74 s THR 73 CO 0.55 0.00 1.75 -0.08 -0.54 0.00 0.00 174.62 176.31 2f74 h GLU 74 N 2.20 0.30 0.00 3.99 4.81 -1.97 -3.34 114.58 120.58 2f74 h GLU 74 Ca -0.37 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 58.80 2f74 h GLU 74 Cb 1.25 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.56 2f74 h GLU 74 CO 0.59 0.20 -1.28 1.63 -0.73 0.00 0.00 179.01 179.42 2f74 n LYS 75 N -5.00 0.62 -2.73 1.92 4.01 -1.26 -4.95 118.16 110.76 2f74 n LYS 75 Ca 0.02 0.09 -0.41 0.00 -0.51 0.00 0.00 58.31 57.50 2f74 n LYS 75 Cb 0.14 -1.77 -0.05 0.00 -0.51 0.00 0.00 35.03 32.84 2f74 n LYS 75 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2f74 s ASP 76 N -5.31 7.54 -0.30 4.39 1.01 -1.25 -5.04 116.67 117.71 2f74 s ASP 76 Ca -0.02 1.85 -0.08 0.00 0.71 0.00 0.00 52.55 55.00 2f74 s ASP 76 Cb 0.10 -2.60 -0.00 0.00 1.01 0.00 0.00 42.92 41.43 2f74 s ASP 76 CO 0.81 0.00 0.12 -1.61 0.21 0.00 0.00 175.17 174.71 2f74 s GLU 77 N -0.39 3.24 0.23 8.23 0.41 -1.26 -4.74 118.70 124.42 2f74 s GLU 77 Ca 0.45 -0.77 0.05 0.00 -0.41 0.00 0.00 54.97 54.29 2f74 s GLU 77 Cb -0.24 -3.47 -0.03 0.00 -1.78 0.00 0.00 34.13 28.60 2f74 s GLU 77 CO 0.31 -0.42 0.29 0.71 -0.49 0.00 0.00 175.26 175.66 2f74 s TYR 78 N 1.56 3.33 0.22 1.61 2.02 -1.26 -0.55 117.35 124.29 2f74 s TYR 78 Ca 0.04 -0.04 -0.23 0.00 -0.37 0.00 0.00 57.07 56.47 2f74 s TYR 78 Cb -0.17 -1.52 0.04 0.00 -0.40 0.00 0.00 41.96 39.91 2f74 s TYR 78 CO 0.04 0.48 0.85 0.00 -1.57 0.00 0.00 175.55 175.35 2f74 s ALA 79 N -2.00 -1.43 -0.04 3.71 0.00 -0.87 -1.22 121.76 119.92 2f74 s ALA 79 Ca 0.34 -0.12 0.02 0.00 0.00 0.00 0.00 51.96 52.20 2f74 s ALA 79 Cb -0.09 0.74 0.01 0.00 0.00 0.00 0.00 23.12 23.78 2f74 s ALA 79 CO 0.27 -1.04 -0.06 0.00 0.00 0.00 0.00 175.76 174.93 2f74 s ARG 81 N 0.58 2.67 -0.13 0.00 3.52 -0.17 -0.66 118.95 124.76 2f74 s ARG 81 Ca -0.08 -0.68 -0.08 0.00 -0.13 0.00 0.00 55.73 54.75 2f74 s ARG 81 Cb -0.12 -2.59 0.05 0.00 -1.56 0.00 0.00 34.95 30.72 2f74 s ARG 81 CO 0.01 0.61 0.33 0.08 -0.81 0.00 0.00 175.30 175.51 2f74 s VAL 82 N -1.08 -0.02 -0.05 7.11 1.01 -0.89 -1.18 120.40 125.29 2f74 s VAL 82 Ca 0.19 0.09 0.02 0.00 0.00 0.00 0.00 61.98 62.29 2f74 s VAL 82 Cb -0.11 -0.49 0.01 0.00 0.00 0.00 0.00 36.38 35.79 2f74 s VAL 82 CO 0.10 0.04 -0.11 0.21 0.00 0.00 0.00 175.10 175.34 2f74 s ASN 83 N 1.01 1.59 -0.00 3.32 3.04 -0.65 -2.10 114.94 121.15 2f74 s ASN 83 Ca -0.07 -0.26 -0.05 0.00 0.04 0.00 0.00 52.86 52.52 2f74 s ASN 83 Cb -0.07 -0.62 -0.00 0.00 -1.54 0.00 0.00 41.25 39.02 2f74 s ASN 83 CO -0.08 0.05 0.10 -2.28 -3.04 0.00 0.00 177.10 171.85 2f74 s HIS 84 N 0.48 0.07 0.57 0.43 2.46 -1.26 -2.46 115.29 115.57 2f74 s HIS 84 Ca -0.10 -0.16 0.30 0.00 0.47 0.00 0.00 55.06 55.57 2f74 s HIS 84 Cb -0.13 -0.07 1.45 0.00 -0.13 0.00 0.00 32.58 33.70 2f74 s HIS 84 CO 0.02 -0.23 1.86 -0.39 -2.47 0.00 0.00 174.74 173.53 2f74 h VAL 85 N 4.45 0.40 -0.13 0.89 -1.51 -1.95 0.25 116.25 118.66 2f74 h VAL 85 Ca -0.30 0.00 -0.10 0.00 -1.23 0.00 0.00 66.70 65.07 2f74 h VAL 85 Cb 1.20 0.57 -0.01 0.00 -2.13 0.00 0.00 31.29 30.91 2f74 h VAL 85 CO 0.41 0.00 -0.37 0.71 -1.23 0.00 0.00 177.57 177.09 2f74 h THR 86 N 0.00 1.29 -3.60 7.19 1.35 -1.91 -3.44 112.91 113.80 2f74 h THR 86 Ca 0.29 -1.43 -0.50 0.00 -0.55 0.00 0.00 66.41 64.22 2f74 h THR 86 Cb 1.43 1.61 0.00 0.00 -1.73 0.00 0.00 68.15 69.46 2f74 h THR 86 CO -0.00 0.43 0.06 -0.76 -0.25 0.00 0.00 175.52 175.00 2f74 s LEU 87 N -8.34 3.89 -0.25 3.87 1.43 0.89 -5.00 118.68 115.17 2f74 s LEU 87 Ca -0.05 1.05 -0.06 0.00 -1.03 0.00 0.00 54.13 54.04 2f74 s LEU 87 Cb 0.14 -3.92 -0.13 0.00 0.03 0.00 0.00 46.19 42.31 2f74 s LEU 87 CO 0.77 -0.35 -0.27 -1.54 0.23 0.00 0.00 176.35 175.19 2f74 n SER 88 N -1.17 1.95 -4.81 2.29 3.41 -1.26 -4.73 113.62 109.30 2f74 n SER 88 Ca 0.02 0.11 -0.34 0.00 -0.26 0.00 0.00 58.87 58.40 2f74 n SER 88 Cb 0.54 -0.58 -0.07 0.00 -0.26 0.00 0.00 64.21 63.85 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 -2.47 3.17 0.26 4.33 -0.21 -1.26 -5.08 119.66 118.40 2f74 s GLN 89 Ca -0.34 -0.41 -0.30 0.00 0.02 0.00 0.00 55.36 54.33 2f74 s GLN 89 Cb 0.11 -2.93 -0.14 0.00 1.00 0.00 0.00 33.01 31.05 2f74 s GLN 89 CO 0.49 0.67 1.15 -2.30 -2.12 0.00 0.00 175.29 173.18 2f74 n PRO 90 N 1.29 1.54 -3.32 2.91 -0.02 -1.26 -4.94 135.00 131.21 2f74 n PRO 90 Ca -0.14 0.54 -0.39 0.00 -2.02 0.00 0.00 63.50 61.50 2f74 n PRO 90 Cb 0.53 -2.02 -0.07 0.00 -0.02 0.00 0.00 33.50 31.92 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 -1.13 4.21 -0.26 -0.52 2.20 -0.89 -4.91 119.74 118.44 2f74 s LYS 91 Ca 0.63 0.33 -0.06 0.00 -0.36 0.00 0.00 55.97 56.51 2f74 s LYS 91 Cb -0.71 -3.53 -0.01 0.00 -1.51 0.00 0.00 37.83 32.07 2f74 s LYS 91 CO 0.57 -0.05 0.05 0.42 -0.36 0.00 0.00 175.35 175.97 2f74 s ILE 92 N 1.34 3.98 -0.21 5.43 1.01 -1.26 -2.08 121.20 129.40 2f74 s ILE 92 Ca 0.22 -0.41 -0.03 0.00 0.00 0.00 0.00 60.65 60.42 2f74 s ILE 92 Cb -0.15 -2.91 -0.01 0.00 0.01 0.00 0.00 42.46 39.40 2f74 s ILE 92 CO 0.09 0.28 -0.05 -0.69 0.00 0.00 0.00 174.94 174.56 2f74 s VAL 93 N 1.55 3.34 0.59 2.92 1.01 0.17 -4.93 120.40 125.04 2f74 s VAL 93 Ca 0.05 -0.51 -0.16 0.00 0.00 0.00 0.00 61.98 61.36 2f74 s VAL 93 Cb -0.16 -2.50 -0.03 0.00 0.00 0.00 0.00 36.38 33.69 2f74 s VAL 93 CO 0.02 0.44 1.07 -0.54 0.00 0.00 0.00 175.10 176.09 2f74 s LYS 94 N 1.33 3.25 0.12 2.72 1.02 -1.26 0.93 119.74 127.84 2f74 s LYS 94 Ca 0.04 1.30 -0.19 0.00 0.02 0.00 0.00 55.97 57.14 2f74 s LYS 94 Cb -0.14 -2.02 -0.07 0.00 -0.52 0.00 0.00 37.83 35.08 2f74 s LYS 94 CO -0.03 -0.88 0.61 -0.46 -0.92 0.00 0.00 175.35 173.67 2f74 s TRP 95 N -2.32 3.75 -0.12 3.18 -0.00 -0.36 -4.84 118.94 118.23 2f74 s TRP 95 Ca 0.66 1.28 -0.01 0.00 -0.00 0.00 0.00 56.10 58.03 2f74 s TRP 95 Cb -0.18 -2.51 0.03 0.00 -0.00 0.00 0.00 33.47 30.81 2f74 s TRP 95 CO 0.35 0.51 -0.06 0.34 -0.00 0.00 0.00 176.95 178.10 2f74 s ASP 96 N -1.33 2.27 0.25 5.86 -1.08 -1.26 -4.81 116.67 116.56 2f74 s ASP 96 Ca 0.34 -0.37 -0.06 0.00 -0.52 0.00 0.00 52.55 51.94 2f74 s ASP 96 Cb -0.18 -0.80 0.43 0.00 -1.46 0.00 0.00 42.92 40.91 2f74 s ASP 96 CO 0.20 -0.15 1.37 0.54 0.52 0.00 0.00 175.17 177.65 2f74 n ARG 97 N 4.96 -0.08 -0.13 4.34 3.00 -1.26 -2.42 116.66 125.07 2f74 n ARG 97 Ca -0.12 1.36 0.03 0.00 -0.01 0.00 0.00 57.85 59.11 2f74 n ARG 97 Cb 0.49 -2.05 0.09 0.00 0.00 0.00 0.00 32.46 30.99 2f74 n ARG 97 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 2f74 n ASP 98 N -5.42 1.36 0.00 0.55 8.00 -1.26 -4.79 116.55 114.99 2f74 n ASP 98 Ca 0.15 -2.07 0.00 0.00 0.71 0.00 0.00 54.79 53.57 2f74 n ASP 98 Cb 0.46 -0.25 0.00 0.00 -0.02 0.00 0.00 41.12 41.31 2f74 n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04