#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a6z s GLN 2 N 0.00 2.55 -0.04 9.51 -0.21 -1.26 -4.69 119.66 125.52 1a6z s GLN 2 Ca 0.00 -0.71 0.02 0.00 0.02 0.00 0.00 55.36 54.69 1a6z s GLN 2 Cb 0.00 -2.49 0.01 0.00 1.00 0.00 0.00 33.01 31.53 1a6z s GLN 2 CO 0.00 0.61 -0.09 1.03 -2.12 0.00 0.00 175.29 174.72 1a6z s ARG 3 N -1.32 1.12 0.33 2.91 3.00 -0.13 -4.91 118.95 119.95 1a6z s ARG 3 Ca 0.16 -0.28 -0.25 0.00 0.00 0.00 0.00 55.73 55.36 1a6z s ARG 3 Cb -0.11 -1.01 -0.10 0.00 0.00 0.00 0.00 34.95 33.73 1a6z s ARG 3 CO 0.06 0.04 0.93 -0.08 0.00 0.00 0.00 175.30 176.25 1a6z s THR 4 N 0.51 4.26 0.47 0.02 -1.32 -1.26 -1.50 115.64 116.82 1a6z s THR 4 Ca -0.09 1.74 -0.23 0.00 -1.21 0.00 0.00 61.69 61.90 1a6z s THR 4 Cb -0.12 -3.94 -0.07 0.00 -1.51 0.00 0.00 72.50 66.86 1a6z s THR 4 CO 0.01 0.08 1.21 -2.16 -2.21 0.00 0.00 174.62 171.55 1a6z s PRO 5 N -2.21 3.68 -0.04 7.08 0.04 -1.26 -4.33 135.00 137.96 1a6z s PRO 5 Ca 0.51 1.88 -0.11 0.00 0.04 0.00 0.00 61.00 63.32 1a6z s PRO 5 Cb -0.17 -2.41 -0.05 0.00 0.04 0.00 0.00 34.50 31.91 1a6z s PRO 5 CO 0.22 -0.65 0.30 0.21 0.04 0.00 0.00 177.00 177.12 1a6z s LYS 6 N -2.69 3.72 -0.09 4.56 2.20 0.62 -4.90 119.74 123.15 1a6z s LYS 6 Ca 0.64 0.17 0.02 0.00 -0.36 0.00 0.00 55.97 56.45 1a6z s LYS 6 Cb -0.31 -3.19 0.01 0.00 -1.51 0.00 0.00 37.83 32.83 1a6z s LYS 6 CO 0.38 0.71 -0.15 0.42 -0.36 0.00 0.00 175.35 176.35 1a6z s ILE 7 N -1.09 1.45 -0.06 5.43 1.01 -1.26 -1.84 121.20 124.82 1a6z s ILE 7 Ca 0.21 -0.63 0.01 0.00 0.00 0.00 0.00 60.65 60.24 1a6z s ILE 7 Cb -0.15 -1.31 0.02 0.00 0.01 0.00 0.00 42.46 41.03 1a6z s ILE 7 CO 0.11 0.43 -0.06 -1.10 0.00 0.00 0.00 174.94 174.31 1a6z s GLN 8 N 0.81 1.13 -0.10 2.79 -0.21 -0.80 -4.98 119.66 118.30 1a6z s GLN 8 Ca -0.11 -0.18 0.02 0.00 0.02 0.00 0.00 55.36 55.12 1a6z s GLN 8 Cb -0.16 -1.12 -0.01 0.00 1.00 0.00 0.00 33.01 32.72 1a6z s GLN 8 CO 0.01 -0.11 -0.17 0.14 -2.12 0.00 0.00 175.29 173.04 1a6z s VAL 9 N 1.12 2.72 0.31 1.09 -7.23 -1.26 -0.27 120.40 116.87 1a6z s VAL 9 Ca -0.07 -0.80 -0.13 0.00 -1.81 0.00 0.00 61.98 59.17 1a6z s VAL 9 Cb -0.14 -2.09 0.02 0.00 0.56 0.00 0.00 36.38 34.72 1a6z s VAL 9 CO -0.01 0.55 0.60 -0.72 -0.31 0.00 0.00 175.10 175.21 1a6z s TYR 10 N 0.15 0.34 0.20 2.82 1.13 -0.31 -4.66 117.35 117.02 1a6z s TYR 10 Ca -0.09 -0.77 0.06 0.00 -1.41 0.00 0.00 57.07 54.86 1a6z s TYR 10 Cb -0.15 0.40 -0.04 0.00 -1.10 0.00 0.00 41.96 41.07 1a6z s TYR 10 CO 0.06 -1.22 0.14 -1.54 -2.51 0.00 0.00 175.55 170.47 1a6z s SER 11 N -3.06 5.41 0.06 -0.18 1.04 -1.21 -0.07 113.70 115.69 1a6z s SER 11 Ca 0.20 -0.22 -0.24 0.00 0.48 0.00 0.00 55.95 56.17 1a6z s SER 11 Cb -0.03 -1.36 -0.16 0.00 0.10 0.00 0.00 66.02 64.56 1a6z s SER 11 CO 0.12 0.03 1.61 -0.09 0.98 0.00 0.00 173.24 175.88 1a6z h ARG 12 N 2.10 -0.05 -5.78 4.02 9.65 -1.54 -3.45 114.38 119.33 1a6z h ARG 12 Ca -0.48 0.00 -0.54 0.00 -1.10 0.00 0.00 59.98 57.86 1a6z h ARG 12 Cb 1.22 0.01 -0.14 0.00 -1.39 0.00 0.00 29.97 29.67 1a6z h ARG 12 CO 0.62 0.08 -0.70 -1.01 2.80 0.00 0.00 179.97 181.76 1a6z s HIS 13 N -5.68 2.10 0.26 2.20 3.76 -1.26 -5.03 115.29 111.64 1a6z s HIS 13 Ca -0.14 -0.55 -0.31 0.00 -0.15 0.00 0.00 55.06 53.92 1a6z s HIS 13 Cb 0.05 -1.10 -0.12 0.00 1.11 0.00 0.00 32.58 32.52 1a6z s HIS 13 CO 0.66 0.47 1.63 -2.30 -0.85 0.00 0.00 174.74 174.34 1a6z n PRO 14 N -0.61 2.69 -1.89 8.40 -0.02 -1.26 -4.86 135.00 137.45 1a6z n PRO 14 Ca -0.06 0.96 -0.42 0.00 -2.02 0.00 0.00 63.50 61.96 1a6z n PRO 14 Cb 0.62 -2.76 -0.03 0.00 -0.02 0.00 0.00 33.50 31.31 1a6z n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1a6z s ALA 15 N 0.35 3.76 -0.20 3.55 0.00 -1.26 -5.01 121.76 122.95 1a6z s ALA 15 Ca 0.68 1.35 -0.02 0.00 0.00 0.00 0.00 51.96 53.97 1a6z s ALA 15 Cb -0.51 -3.67 0.06 0.00 0.00 0.00 0.00 23.12 19.00 1a6z s ALA 15 CO 0.44 -0.96 0.00 -1.21 0.00 0.00 0.00 175.76 174.03 1a6z s GLU 16 N 1.85 1.00 0.13 0.00 2.02 -1.26 -5.10 118.70 117.34 1a6z s GLU 16 Ca 0.73 -0.58 -0.33 0.00 0.02 0.00 0.00 54.97 54.81 1a6z s GLU 16 Cb -0.43 -2.21 -0.17 0.00 0.10 0.00 0.00 34.13 31.41 1a6z s GLU 16 CO 0.32 -0.60 0.94 0.09 0.02 0.00 0.00 175.26 176.03 1a6z n ASN 17 N 4.93 0.16 0.00 -0.19 3.02 -1.26 -0.42 115.26 121.49 1a6z n ASN 17 Ca -0.10 1.14 0.00 0.00 -0.03 0.00 0.00 54.58 55.59 1a6z n ASN 17 Cb 0.46 -1.05 0.00 0.00 -0.61 0.00 0.00 39.78 38.58 1a6z n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1a6z n GLY 18 N 1.83 2.98 3.75 7.41 0.00 -0.36 -4.99 105.19 115.81 1a6z n GLY 18 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 1a6z n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a6z s LYS 19 N 0.00 4.26 0.52 1.61 3.01 0.44 -4.94 119.74 124.63 1a6z s LYS 19 Ca 0.00 0.49 -0.23 0.00 -1.01 0.00 0.00 55.97 55.22 1a6z s LYS 19 Cb 0.00 -3.38 -0.06 0.00 -1.01 0.00 0.00 37.83 33.38 1a6z s LYS 19 CO 0.00 0.30 1.35 0.45 0.51 0.00 0.00 175.35 177.96 1a6z n SER 20 N 3.14 2.73 -0.04 2.83 2.88 -1.26 -4.27 113.62 119.63 1a6z n SER 20 Ca -0.08 1.01 0.00 0.00 -1.33 0.00 0.00 58.87 58.47 1a6z n SER 20 Cb 0.52 -1.57 0.00 0.00 -0.75 0.00 0.00 64.21 62.41 1a6z n SER 20 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1a6z n ASN 21 N -0.69 0.00 -3.75 -3.46 2.85 0.93 -4.98 115.26 106.17 1a6z n ASN 21 Ca 0.09 -0.04 -0.13 0.00 -0.11 0.00 0.00 54.58 54.39 1a6z n ASN 21 Cb 0.43 0.00 -0.13 0.00 1.24 0.00 0.00 39.78 41.32 1a6z n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1a6z s PHE 22 N -2.54 -0.25 -0.23 1.20 0.08 -1.26 -1.58 117.98 113.40 1a6z s PHE 22 Ca 0.00 0.64 -0.10 0.00 0.12 0.00 0.00 56.93 57.58 1a6z s PHE 22 Cb 0.00 0.01 -0.05 0.00 -0.57 0.00 0.00 43.02 42.41 1a6z s PHE 22 CO 0.00 -0.19 0.15 -1.17 -0.10 0.00 0.00 175.22 173.92 1a6z s LEU 23 N 1.02 4.13 0.06 -0.37 2.96 0.17 -1.27 118.68 125.38 1a6z s LEU 23 Ca -0.08 0.13 0.09 0.00 -0.22 0.00 0.00 54.13 54.06 1a6z s LEU 23 Cb -0.09 -2.10 -0.03 0.00 0.50 0.00 0.00 46.19 44.47 1a6z s LEU 23 CO -0.06 0.09 -0.24 0.20 -1.32 0.00 0.00 176.35 175.02 1a6z s ASN 24 N 0.92 3.38 -0.19 3.68 0.01 0.90 -1.69 114.94 121.94 1a6z s ASN 24 Ca 0.08 -0.57 -0.02 0.00 -0.71 0.00 0.00 52.86 51.64 1a6z s ASN 24 Cb -0.13 -0.37 0.05 0.00 0.41 0.00 0.00 41.25 41.21 1a6z s ASN 24 CO 0.03 0.25 0.00 0.00 -1.51 0.00 0.00 177.10 175.87 1a6z s TYR 26 N 1.76 3.20 -0.11 0.00 5.04 0.62 -0.42 117.35 127.44 1a6z s TYR 26 Ca -0.01 -0.82 -0.05 0.00 -2.44 0.00 0.00 57.07 53.75 1a6z s TYR 26 Cb -0.17 -2.37 -0.04 0.00 0.35 0.00 0.00 41.96 39.74 1a6z s TYR 26 CO -0.07 -0.56 0.07 0.14 -1.34 0.00 0.00 175.55 173.78 1a6z s VAL 27 N 1.56 4.86 0.31 3.14 -7.23 -0.21 -1.90 120.40 120.94 1a6z s VAL 27 Ca 0.03 -0.03 -0.17 0.00 -1.81 0.00 0.00 61.98 60.00 1a6z s VAL 27 Cb -0.18 -3.10 0.03 0.00 0.56 0.00 0.00 36.38 33.69 1a6z s VAL 27 CO 0.06 0.59 0.69 -0.94 -0.31 0.00 0.00 175.10 175.19 1a6z s SER 28 N -0.77 -0.07 -1.69 4.85 1.04 -0.77 -0.81 113.70 115.48 1a6z s SER 28 Ca 0.13 -0.89 0.00 0.00 0.48 0.00 0.00 55.95 55.67 1a6z s SER 28 Cb -0.12 0.75 0.00 0.00 0.10 0.00 0.00 66.02 66.75 1a6z s SER 28 CO 0.03 -1.43 0.00 0.61 0.98 0.00 0.00 173.24 173.42 1a6z n GLY 29 N -0.48 1.39 3.83 7.32 0.00 -0.58 -0.28 105.19 116.38 1a6z n GLY 29 Ca -0.05 -0.24 -0.22 0.00 0.00 0.00 0.00 46.02 45.52 1a6z n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1a6z s PHE 30 N -2.64 3.06 -0.29 1.61 -0.71 -1.18 -4.40 117.98 113.44 1a6z s PHE 30 Ca 0.00 -0.15 -0.18 0.00 -1.04 0.00 0.00 56.93 55.56 1a6z s PHE 30 Cb 0.00 -1.48 0.13 0.00 -1.21 0.00 0.00 43.02 40.46 1a6z s PHE 30 CO 0.00 0.46 0.94 -1.58 -1.34 0.00 0.00 175.22 173.70 1a6z s HIS 31 N -2.17 -0.63 1.28 3.49 2.46 -0.56 -0.75 115.29 118.41 1a6z s HIS 31 Ca 0.34 1.31 -0.21 0.00 0.47 0.00 0.00 55.06 56.97 1a6z s HIS 31 Cb -0.07 0.39 0.32 0.00 -0.13 0.00 0.00 32.58 33.09 1a6z s HIS 31 CO 0.25 -0.31 1.01 -0.35 -2.47 0.00 0.00 174.74 172.87 1a6z n PRO 32 N 3.45 -3.62 0.23 2.88 -0.04 -1.26 -0.95 135.00 135.69 1a6z n PRO 32 Ca -0.17 -1.64 0.13 0.00 -0.04 0.00 0.00 63.50 61.77 1a6z n PRO 32 Cb 0.57 -1.68 0.32 0.00 -0.04 0.00 0.00 33.50 32.67 1a6z n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1a6z h SER 33 N -2.96 0.00 -2.12 3.54 4.64 -1.98 -3.44 113.55 111.22 1a6z h SER 33 Ca -0.40 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.34 1a6z h SER 33 Cb 1.26 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1a6z h SER 33 CO 0.26 0.04 1.43 -1.81 -0.87 0.00 0.00 176.83 175.88 1a6z s ASP 34 N -6.08 5.64 -0.02 4.97 1.01 -1.26 -4.91 116.67 116.02 1a6z s ASP 34 Ca 0.05 1.94 -0.10 0.00 0.71 0.00 0.00 52.55 55.15 1a6z s ASP 34 Cb 0.06 -2.51 0.01 0.00 1.01 0.00 0.00 42.92 41.49 1a6z s ASP 34 CO 0.64 -1.81 0.22 -0.51 0.21 0.00 0.00 175.17 173.92 1a6z s ILE 35 N 7.62 0.06 -0.11 0.77 2.07 -1.26 -4.49 121.20 125.87 1a6z s ILE 35 Ca 0.97 -0.52 0.01 0.00 -1.41 0.00 0.00 60.65 59.70 1a6z s ILE 35 Cb -0.33 -0.50 0.02 0.00 0.13 0.00 0.00 42.46 41.78 1a6z s ILE 35 CO 0.36 -0.29 -0.14 -1.83 -1.91 0.00 0.00 174.94 171.13 1a6z s GLU 36 N -1.18 2.04 -0.06 3.50 -1.05 -0.81 -5.03 118.70 116.11 1a6z s GLU 36 Ca -0.13 -0.49 0.05 0.00 -0.15 0.00 0.00 54.97 54.25 1a6z s GLU 36 Cb -0.06 -1.79 -0.01 0.00 -0.44 0.00 0.00 34.13 31.84 1a6z s GLU 36 CO 0.03 -0.09 -0.22 0.08 0.95 0.00 0.00 175.26 176.00 1a6z s VAL 37 N 1.08 1.86 -0.01 1.83 1.01 -1.26 -1.70 120.40 123.22 1a6z s VAL 37 Ca -0.05 -0.95 0.04 0.00 0.00 0.00 0.00 61.98 61.02 1a6z s VAL 37 Cb -0.15 -1.59 -0.01 0.00 0.00 0.00 0.00 36.38 34.64 1a6z s VAL 37 CO -0.02 0.52 -0.12 -1.81 0.00 0.00 0.00 175.10 173.66 1a6z s ASP 38 N 0.01 1.47 -0.19 3.32 1.01 0.27 -4.98 116.67 117.58 1a6z s ASP 38 Ca -0.07 -0.23 -0.10 0.00 0.71 0.00 0.00 52.55 52.86 1a6z s ASP 38 Cb -0.14 -0.18 -0.05 0.00 1.01 0.00 0.00 42.92 43.56 1a6z s ASP 38 CO 0.04 0.15 0.16 -0.76 0.21 0.00 0.00 175.17 174.97 1a6z s LEU 39 N -0.27 4.23 -0.07 1.23 1.43 -1.26 0.56 118.68 124.53 1a6z s LEU 39 Ca 0.04 0.30 0.00 0.00 -1.03 0.00 0.00 54.13 53.44 1a6z s LEU 39 Cb -0.05 -2.13 -0.03 0.00 0.03 0.00 0.00 46.19 44.01 1a6z s LEU 39 CO -0.00 0.19 -0.06 -0.76 0.23 0.00 0.00 176.35 175.95 1a6z s LEU 40 N 0.24 3.22 -0.57 1.79 1.02 0.16 -0.45 118.68 124.09 1a6z s LEU 40 Ca 0.10 -0.01 0.04 0.00 0.02 0.00 0.00 54.13 54.29 1a6z s LEU 40 Cb -0.11 -1.71 0.14 0.00 0.02 0.00 0.00 46.19 44.53 1a6z s LEU 40 CO -0.01 0.36 0.33 -0.75 0.02 0.00 0.00 176.35 176.31 1a6z s LYS 41 N -0.78 2.09 -0.68 1.70 2.20 -0.41 -1.59 119.74 122.27 1a6z s LYS 41 Ca 0.12 -2.82 -0.02 0.00 -0.36 0.00 0.00 55.97 52.88 1a6z s LYS 41 Cb -0.11 -3.28 0.00 0.00 -1.51 0.00 0.00 37.83 32.93 1a6z s LYS 41 CO 0.02 -1.17 0.58 0.09 -0.36 0.00 0.00 175.35 174.51 1a6z n ASN 42 N 2.76 -3.21 0.00 1.43 3.02 0.42 -2.90 115.26 116.78 1a6z n ASN 42 Ca 0.10 -0.31 0.00 0.00 -0.03 0.00 0.00 54.58 54.34 1a6z n ASN 42 Cb 0.33 -2.93 0.00 0.00 -0.61 0.00 0.00 39.78 36.57 1a6z n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1a6z n GLY 43 N -1.19 2.86 3.62 7.41 0.00 -1.26 -4.98 105.19 111.65 1a6z n GLY 43 Ca -0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 1a6z n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1a6z s GLU 44 N -0.12 3.96 0.11 1.61 0.41 -1.14 -4.98 118.70 118.56 1a6z s GLU 44 Ca 0.00 0.88 -0.33 0.00 -0.41 0.00 0.00 54.97 55.12 1a6z s GLU 44 Cb 0.00 -3.78 -0.12 0.00 -1.78 0.00 0.00 34.13 28.45 1a6z s GLU 44 CO 0.00 -0.99 1.75 2.89 -0.49 0.00 0.00 175.26 178.43 1a6z n ARG 45 N 7.00 2.51 -2.80 1.61 -4.01 -1.26 -1.29 116.66 118.42 1a6z n ARG 45 Ca 0.11 0.91 -0.40 0.00 -1.04 0.00 0.00 57.85 57.43 1a6z n ARG 45 Cb 0.48 -2.75 -0.06 0.00 -3.04 0.00 0.00 32.46 27.09 1a6z n ARG 45 CO 0.00 0.00 0.00 0.42 -3.04 0.00 0.00 177.63 175.01 1a6z s ILE 46 N 2.18 4.26 0.44 8.89 1.01 0.41 -4.90 121.20 133.50 1a6z s ILE 46 Ca 0.82 1.99 0.08 0.00 0.00 0.00 0.00 60.65 63.53 1a6z s ILE 46 Cb -0.58 -4.28 0.01 0.00 0.01 0.00 0.00 42.46 37.62 1a6z s ILE 46 CO 0.39 0.46 0.49 -1.61 0.00 0.00 0.00 174.94 174.66 1a6z s GLU 47 N -0.84 2.59 -0.87 2.79 2.02 -1.26 -4.62 118.70 118.51 1a6z s GLU 47 Ca 0.41 -1.48 -0.01 0.00 0.02 0.00 0.00 54.97 53.91 1a6z s GLU 47 Cb -0.25 -2.51 0.00 0.00 0.10 0.00 0.00 34.13 31.47 1a6z s GLU 47 CO 0.30 -0.32 0.73 1.63 0.02 0.00 0.00 175.26 177.62 1a6z n LYS 48 N -1.74 -4.89 -4.35 1.61 5.02 -1.26 -5.02 118.16 107.54 1a6z n LYS 48 Ca 0.06 0.60 -0.34 0.00 -2.02 0.00 0.00 58.31 56.61 1a6z n LYS 48 Cb 0.61 -4.89 -0.11 0.00 -0.02 0.00 0.00 35.03 30.62 1a6z n LYS 48 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1a6z s VAL 49 N -3.25 4.18 0.34 -0.18 1.01 -1.26 -4.83 120.40 116.41 1a6z s VAL 49 Ca 0.08 -0.27 0.04 0.00 0.00 0.00 0.00 61.98 61.82 1a6z s VAL 49 Cb -0.04 -2.80 -0.02 0.00 0.00 0.00 0.00 36.38 33.53 1a6z s VAL 49 CO 0.52 0.54 0.51 -1.61 0.00 0.00 0.00 175.10 175.05 1a6z s GLU 50 N -0.21 3.22 -0.03 2.72 2.02 0.03 -4.93 118.70 121.53 1a6z s GLU 50 Ca 0.05 -0.73 -0.12 0.00 0.02 0.00 0.00 54.97 54.19 1a6z s GLU 50 Cb -0.13 -2.75 0.02 0.00 0.10 0.00 0.00 34.13 31.37 1a6z s GLU 50 CO 0.02 0.07 0.25 -3.38 0.02 0.00 0.00 175.26 172.24 1a6z s HIS 51 N -2.25 -0.14 0.35 1.61 -3.43 -1.26 -0.49 115.29 109.69 1a6z s HIS 51 Ca 0.43 0.23 -0.06 0.00 -0.80 0.00 0.00 55.06 54.86 1a6z s HIS 51 Cb -0.10 0.05 0.08 0.00 -1.43 0.00 0.00 32.58 31.19 1a6z s HIS 51 CO 0.33 -0.31 0.37 -1.13 -2.00 0.00 0.00 174.74 172.00 1a6z n SER 52 N 1.64 -0.77 -4.84 7.38 3.41 0.83 -4.98 113.62 116.29 1a6z n SER 52 Ca -0.20 -0.89 -0.37 0.00 -0.26 0.00 0.00 58.87 57.15 1a6z n SER 52 Cb 0.56 -0.31 -0.06 0.00 -0.26 0.00 0.00 64.21 64.14 1a6z n SER 52 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1a6z s ASP 53 N -2.45 6.87 0.24 4.04 1.01 -1.26 -4.71 116.67 120.39 1a6z s ASP 53 Ca 0.22 1.08 -0.31 0.00 0.71 0.00 0.00 52.55 54.25 1a6z s ASP 53 Cb -0.02 -2.29 -0.12 0.00 1.01 0.00 0.00 42.92 41.51 1a6z s ASP 53 CO 0.17 0.19 1.69 -0.11 0.21 0.00 0.00 175.17 177.32 1a6z n LEU 54 N 1.21 4.14 0.00 1.23 7.94 -1.26 -4.81 117.00 125.45 1a6z n LEU 54 Ca -0.08 1.09 -0.15 0.00 -1.11 0.00 0.00 56.01 55.75 1a6z n LEU 54 Cb 0.52 -1.58 -0.05 0.00 0.53 0.00 0.00 43.42 42.83 1a6z n LEU 54 CO 0.41 0.19 0.00 -0.24 -1.11 0.00 0.00 177.39 176.64 1a6z n SER 55 N 3.43 -0.84 -3.75 1.96 2.88 -0.99 -5.01 113.62 111.30 1a6z n SER 55 Ca 0.14 -2.82 -0.10 0.00 -1.33 0.00 0.00 58.87 54.75 1a6z n SER 55 Cb 0.35 1.75 -0.07 0.00 -0.75 0.00 0.00 64.21 65.50 1a6z n SER 55 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1a6z s PHE 56 N -3.17 -0.06 0.62 0.66 -0.12 -1.26 -0.88 117.98 113.77 1a6z s PHE 56 Ca 0.31 -0.21 0.08 0.00 -0.05 0.00 0.00 56.93 57.06 1a6z s PHE 56 Cb 0.01 0.09 0.11 0.00 -0.63 0.00 0.00 43.02 42.60 1a6z s PHE 56 CO 0.22 -0.57 0.86 0.43 -0.05 0.00 0.00 175.22 176.12 1a6z n SER 57 N 0.19 1.98 -0.32 1.98 7.64 0.50 -4.94 113.62 120.64 1a6z n SER 57 Ca -0.17 -2.48 0.18 0.00 1.01 0.00 0.00 58.87 57.42 1a6z n SER 57 Cb 0.61 -0.48 0.39 0.00 -1.01 0.00 0.00 64.21 63.72 1a6z n SER 57 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1a6z h LYS 58 N 0.00 0.36 -0.51 1.43 3.64 -2.03 0.24 116.57 119.70 1a6z h LYS 58 Ca -0.29 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.07 1a6z h LYS 58 Cb 1.26 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 1a6z h LYS 58 CO 0.39 0.24 0.00 -0.40 -2.27 0.00 0.00 179.45 177.40 1a6z n ASP 59 N -5.05 0.66 0.00 4.20 5.68 -1.26 -4.83 116.55 115.95 1a6z n ASP 59 Ca 0.27 -2.02 0.00 0.00 -0.50 0.00 0.00 54.79 52.54 1a6z n ASP 59 Cb 0.81 -0.27 0.00 0.00 -1.14 0.00 0.00 41.12 40.53 1a6z n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1a6z n TRP 60 N -0.20 0.00 -2.54 2.11 7.02 0.85 -4.99 117.44 119.70 1a6z n TRP 60 Ca 0.01 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.15 1a6z n TRP 60 Cb 0.16 -0.77 -0.04 0.00 -2.42 0.00 0.00 31.31 28.24 1a6z n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1a6z s SER 61 N -2.45 6.42 0.26 -0.99 1.04 -1.26 -4.73 113.70 111.99 1a6z s SER 61 Ca 0.00 1.85 -0.03 0.00 0.48 0.00 0.00 55.95 58.24 1a6z s SER 61 Cb 0.00 -2.55 -0.05 0.00 0.10 0.00 0.00 66.02 63.52 1a6z s SER 61 CO 0.00 -0.73 0.49 -0.36 0.98 0.00 0.00 173.24 173.62 1a6z s PHE 62 N -2.11 3.48 -0.07 5.02 0.08 0.07 -0.37 117.98 124.07 1a6z s PHE 62 Ca 0.65 0.52 -0.06 0.00 0.12 0.00 0.00 56.93 58.17 1a6z s PHE 62 Cb -0.14 -2.00 0.02 0.00 -0.57 0.00 0.00 43.02 40.32 1a6z s PHE 62 CO 0.21 0.25 0.18 1.52 -0.10 0.00 0.00 175.22 177.28 1a6z s TYR 63 N -2.00 -0.20 -0.00 0.36 -0.85 -0.06 -1.53 117.35 113.06 1a6z s TYR 63 Ca 0.42 0.50 -0.00 0.00 -0.52 0.00 0.00 57.07 57.46 1a6z s TYR 63 Cb -0.11 0.05 -0.00 0.00 0.38 0.00 0.00 41.96 42.28 1a6z s TYR 63 CO 0.30 -0.11 0.01 -1.17 -1.52 0.00 0.00 175.55 173.05 1a6z s LEU 64 N 0.27 1.98 -0.13 -3.49 2.96 0.01 -2.34 118.68 117.94 1a6z s LEU 64 Ca -0.01 -0.01 -0.01 0.00 -0.22 0.00 0.00 54.13 53.88 1a6z s LEU 64 Cb -0.03 0.03 -0.02 0.00 0.50 0.00 0.00 46.19 46.67 1a6z s LEU 64 CO -0.01 -0.02 -0.09 -0.22 -1.32 0.00 0.00 176.35 174.69 1a6z s LEU 65 N -0.07 2.94 -0.10 -0.68 2.96 -1.26 -1.05 118.68 121.43 1a6z s LEU 65 Ca -0.01 -0.22 0.04 0.00 -0.22 0.00 0.00 54.13 53.72 1a6z s LEU 65 Cb -0.01 -1.67 -0.00 0.00 0.50 0.00 0.00 46.19 45.01 1a6z s LEU 65 CO -0.00 0.19 -0.23 -0.31 -1.32 0.00 0.00 176.35 174.69 1a6z s TYR 66 N 0.19 2.57 -0.03 5.38 1.51 0.44 -0.12 117.35 127.29 1a6z s TYR 66 Ca -0.05 -0.93 -0.17 0.00 -1.01 0.00 0.00 57.07 54.90 1a6z s TYR 66 Cb -0.15 -1.71 0.03 0.00 -0.11 0.00 0.00 41.96 40.03 1a6z s TYR 66 CO 0.04 -0.35 0.37 1.52 -1.11 0.00 0.00 175.55 176.03 1a6z s TYR 67 N 0.23 -0.27 0.01 2.71 1.13 0.36 0.42 117.35 121.93 1a6z s TYR 67 Ca -0.15 0.46 -0.00 0.00 -1.41 0.00 0.00 57.07 55.97 1a6z s TYR 67 Cb -0.17 0.15 -0.01 0.00 -1.10 0.00 0.00 41.96 40.83 1a6z s TYR 67 CO 0.08 -0.41 -0.01 0.99 -2.51 0.00 0.00 175.55 173.69 1a6z s THR 68 N -1.20 0.06 0.39 -3.49 2.01 -0.68 -0.79 115.64 111.94 1a6z s THR 68 Ca -0.12 -0.49 -0.24 0.00 0.31 0.00 0.00 61.69 61.14 1a6z s THR 68 Cb -0.04 -0.16 -0.09 0.00 0.01 0.00 0.00 72.50 72.22 1a6z s THR 68 CO 0.05 -0.27 1.03 -0.70 -0.69 0.00 0.00 174.62 174.04 1a6z s GLU 69 N -0.80 4.23 -0.11 4.92 2.12 -1.26 -0.65 118.70 127.15 1a6z s GLU 69 Ca -0.09 1.47 -0.31 0.00 0.36 0.00 0.00 54.97 56.40 1a6z s GLU 69 Cb -0.05 -2.57 0.12 0.00 0.26 0.00 0.00 34.13 31.89 1a6z s GLU 69 CO -0.00 -0.07 1.04 -0.59 -0.54 0.00 0.00 175.26 175.09 1a6z s PHE 70 N -1.67 -0.26 -0.21 5.30 -0.71 -0.62 -4.87 117.98 114.95 1a6z s PHE 70 Ca 0.57 0.21 0.01 0.00 -1.04 0.00 0.00 56.93 56.68 1a6z s PHE 70 Cb -0.21 0.52 0.04 0.00 -1.21 0.00 0.00 43.02 42.16 1a6z s PHE 70 CO 0.26 -0.37 -0.12 0.99 -1.34 0.00 0.00 175.22 174.64 1a6z s THR 71 N -2.52 1.83 0.82 -4.49 2.01 -1.26 -0.05 115.64 111.99 1a6z s THR 71 Ca 0.06 -1.15 -0.12 0.00 0.31 0.00 0.00 61.69 60.80 1a6z s THR 71 Cb -0.01 -1.87 0.09 0.00 0.01 0.00 0.00 72.50 70.71 1a6z s THR 71 CO -0.06 0.18 1.11 -2.16 -0.69 0.00 0.00 174.62 173.00 1a6z s PRO 72 N 1.31 1.86 0.00 4.92 0.04 -1.26 -4.83 135.00 137.04 1a6z s PRO 72 Ca -0.02 0.54 0.00 0.00 0.04 0.00 0.00 61.00 61.56 1a6z s PRO 72 Cb -0.17 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.47 1a6z s PRO 72 CO -0.08 -1.76 0.00 0.25 0.04 0.00 0.00 177.00 175.45 1a6z n THR 73 N -3.51 0.00 -0.01 1.26 -2.24 -1.26 -1.23 114.28 107.30 1a6z n THR 73 Ca 0.07 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.78 1a6z n THR 73 Cb 0.57 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.67 1a6z n THR 73 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1a6z h GLU 74 N 0.00 0.00 0.00 -0.78 4.22 -2.00 -3.35 114.58 112.67 1a6z h GLU 74 Ca 0.00 0.00 -0.12 0.00 0.08 0.00 0.00 59.36 59.32 1a6z h GLU 74 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1a6z h GLU 74 CO 0.00 0.48 -0.61 0.87 -2.18 0.00 0.00 179.01 177.57 1a6z h LYS 75 N 0.00 0.00 -6.63 1.92 6.56 -2.03 -3.46 116.57 112.93 1a6z h LYS 75 Ca -0.25 0.00 -0.52 0.00 -1.06 0.00 0.00 60.65 58.82 1a6z h LYS 75 Cb 1.93 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 33.60 1a6z h LYS 75 CO 0.08 0.57 0.55 -0.51 -2.06 0.00 0.00 179.45 178.08 1a6z s ASP 76 N -6.47 7.10 -0.04 0.86 1.01 -1.26 -5.06 116.67 112.81 1a6z s ASP 76 Ca 0.03 2.18 0.06 0.00 0.71 0.00 0.00 52.55 55.54 1a6z s ASP 76 Cb 0.08 -2.60 -0.01 0.00 1.01 0.00 0.00 42.92 41.40 1a6z s ASP 76 CO 0.76 -0.38 -0.24 -1.61 0.21 0.00 0.00 175.17 173.91 1a6z s GLU 77 N 0.00 2.32 0.08 8.23 0.41 -1.26 -4.77 118.70 123.72 1a6z s GLU 77 Ca 0.54 -0.88 0.06 0.00 -0.41 0.00 0.00 54.97 54.28 1a6z s GLU 77 Cb -0.32 -2.05 -0.03 0.00 -1.78 0.00 0.00 34.13 29.95 1a6z s GLU 77 CO 0.35 0.42 -0.15 0.71 -0.49 0.00 0.00 175.26 176.10 1a6z s TYR 78 N -0.28 1.33 0.31 1.61 2.02 -1.26 -0.43 117.35 120.64 1a6z s TYR 78 Ca 0.01 -0.47 -0.14 0.00 -0.37 0.00 0.00 57.07 56.10 1a6z s TYR 78 Cb -0.12 -0.74 0.02 0.00 -0.40 0.00 0.00 41.96 40.72 1a6z s TYR 78 CO 0.02 0.09 0.64 0.00 -1.57 0.00 0.00 175.55 174.73 1a6z s ALA 79 N -1.38 -0.49 -0.06 3.71 0.00 -0.62 0.09 121.76 123.01 1a6z s ALA 79 Ca 0.01 -0.79 0.05 0.00 0.00 0.00 0.00 51.96 51.22 1a6z s ALA 79 Cb -0.09 0.91 -0.00 0.00 0.00 0.00 0.00 23.12 23.93 1a6z s ALA 79 CO 0.03 -0.93 -0.21 0.00 0.00 0.00 0.00 175.76 174.64 1a6z s ARG 81 N 0.03 3.25 -0.06 0.00 3.52 0.19 -0.84 118.95 125.05 1a6z s ARG 81 Ca -0.06 -0.69 0.04 0.00 -0.13 0.00 0.00 55.73 54.89 1a6z s ARG 81 Cb -0.13 -2.85 -0.00 0.00 -1.56 0.00 0.00 34.95 30.40 1a6z s ARG 81 CO 0.04 -0.19 -0.19 0.08 -0.81 0.00 0.00 175.30 174.23 1a6z s VAL 82 N 1.38 1.60 -0.01 7.11 1.01 0.74 -0.56 120.40 131.67 1a6z s VAL 82 Ca 0.05 -0.79 0.05 0.00 0.00 0.00 0.00 61.98 61.28 1a6z s VAL 82 Cb -0.14 -1.38 -0.01 0.00 0.00 0.00 0.00 36.38 34.85 1a6z s VAL 82 CO -0.06 0.46 -0.15 0.21 0.00 0.00 0.00 175.10 175.55 1a6z s ASN 83 N 0.15 1.79 0.14 3.32 3.84 -0.69 0.20 114.94 123.69 1a6z s ASN 83 Ca -0.08 -0.30 -0.12 0.00 0.21 0.00 0.00 52.86 52.57 1a6z s ASN 83 Cb -0.14 -0.19 0.01 0.00 -0.55 0.00 0.00 41.25 40.38 1a6z s ASN 83 CO 0.04 0.17 0.32 -2.28 -2.79 0.00 0.00 177.10 172.56 1a6z s HIS 84 N -0.41 0.10 0.55 0.43 5.65 -1.26 -1.93 115.29 118.42 1a6z s HIS 84 Ca 0.06 -0.47 0.22 0.00 0.25 0.00 0.00 55.06 55.11 1a6z s HIS 84 Cb -0.06 0.08 1.51 0.00 -1.18 0.00 0.00 32.58 32.93 1a6z s HIS 84 CO -0.00 -0.69 2.18 -0.39 -0.65 0.00 0.00 174.74 175.19 1a6z h VAL 85 N 2.52 0.78 0.00 0.89 -1.51 -1.95 -0.26 116.25 116.71 1a6z h VAL 85 Ca -0.33 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.14 1a6z h VAL 85 Cb 1.23 0.98 0.00 0.00 -2.13 0.00 0.00 31.29 31.37 1a6z h VAL 85 CO 0.49 0.00 0.00 0.35 -1.23 0.00 0.00 177.57 177.18 1a6z n THR 86 N -4.23 0.10 -4.68 7.19 -2.24 -1.26 -4.76 114.28 104.40 1a6z n THR 86 Ca -0.02 0.03 -0.33 0.00 -2.27 0.00 0.00 64.05 61.45 1a6z n THR 86 Cb 0.13 -0.58 -0.14 0.00 -2.10 0.00 0.00 70.33 67.64 1a6z n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1a6z s LEU 87 N -2.50 2.86 0.05 3.22 1.43 -0.11 -4.97 118.68 118.66 1a6z s LEU 87 Ca 0.28 -0.27 -0.24 0.00 -1.03 0.00 0.00 54.13 52.87 1a6z s LEU 87 Cb 0.18 -1.66 -0.13 0.00 0.03 0.00 0.00 46.19 44.62 1a6z s LEU 87 CO 0.40 0.17 1.37 0.28 0.23 0.00 0.00 176.35 178.81 1a6z h SER 88 N 6.65 -0.85 -2.50 2.29 0.02 -1.86 -3.42 113.55 113.89 1a6z h SER 88 Ca -0.28 0.05 -0.55 0.00 -0.84 0.00 0.00 61.79 60.18 1a6z h SER 88 Cb 1.21 0.26 -0.14 0.00 0.14 0.00 0.00 62.40 63.86 1a6z h SER 88 CO 0.57 -0.49 -0.68 -1.10 -1.14 0.00 0.00 176.83 173.99 1a6z s GLN 89 N -4.92 1.66 0.40 3.45 1.11 -1.26 -5.06 119.66 115.05 1a6z s GLN 89 Ca -0.12 -1.85 -0.25 0.00 0.01 0.00 0.00 55.36 53.15 1a6z s GLN 89 Cb 0.02 -1.40 -0.11 0.00 -1.01 0.00 0.00 33.01 30.51 1a6z s GLN 89 CO 0.39 0.09 1.10 -2.30 0.01 0.00 0.00 175.29 174.58 1a6z n PRO 90 N -0.67 1.56 -4.04 2.91 -0.02 -1.26 -4.92 135.00 128.56 1a6z n PRO 90 Ca -0.05 0.55 -0.35 0.00 -2.02 0.00 0.00 63.50 61.63 1a6z n PRO 90 Cb 0.63 -2.13 -0.07 0.00 -0.02 0.00 0.00 33.50 31.92 1a6z n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1a6z s LYS 91 N -2.00 3.27 -0.11 -0.52 2.20 0.13 -4.90 119.74 117.80 1a6z s LYS 91 Ca 0.61 -0.29 0.03 0.00 -0.36 0.00 0.00 55.97 55.97 1a6z s LYS 91 Cb -0.56 -3.02 0.01 0.00 -1.51 0.00 0.00 37.83 32.74 1a6z s LYS 91 CO 0.58 0.72 -0.21 0.42 -0.36 0.00 0.00 175.35 176.50 1a6z s ILE 92 N -1.07 1.89 -0.14 5.43 1.01 -1.26 -0.19 121.20 126.87 1a6z s ILE 92 Ca 0.18 -0.90 0.01 0.00 0.00 0.00 0.00 60.65 59.94 1a6z s ILE 92 Cb -0.12 -1.66 0.00 0.00 0.01 0.00 0.00 42.46 40.69 1a6z s ILE 92 CO 0.08 0.52 -0.18 -0.69 0.00 0.00 0.00 174.94 174.66 1a6z s VAL 93 N 0.63 2.40 0.43 2.92 1.01 -0.02 -4.96 120.40 122.80 1a6z s VAL 93 Ca -0.13 -0.87 -0.21 0.00 0.00 0.00 0.00 61.98 60.77 1a6z s VAL 93 Cb -0.16 -1.99 -0.11 0.00 0.00 0.00 0.00 36.38 34.12 1a6z s VAL 93 CO 0.03 0.53 0.96 -0.54 0.00 0.00 0.00 175.10 176.08 1a6z s LYS 94 N 0.77 4.23 -0.29 2.72 1.02 -1.26 -0.19 119.74 126.73 1a6z s LYS 94 Ca -0.07 1.15 -0.27 0.00 0.02 0.00 0.00 55.97 56.79 1a6z s LYS 94 Cb -0.16 -2.22 0.01 0.00 -0.52 0.00 0.00 37.83 34.95 1a6z s LYS 94 CO -0.00 -0.03 0.99 -0.46 -0.92 0.00 0.00 175.35 174.92 1a6z s TRP 95 N -2.13 3.21 -0.37 3.18 -0.00 0.11 -4.86 118.94 118.08 1a6z s TRP 95 Ca 0.62 1.15 -0.25 0.00 -0.00 0.00 0.00 56.10 57.62 1a6z s TRP 95 Cb -0.10 -3.46 0.01 0.00 -0.00 0.00 0.00 33.47 29.92 1a6z s TRP 95 CO 0.14 -0.64 0.90 0.34 -0.00 0.00 0.00 176.95 177.69 1a6z s ASP 96 N 1.54 6.65 0.66 5.86 -1.08 -1.26 -4.74 116.67 124.30 1a6z s ASP 96 Ca 0.41 0.52 0.23 0.00 -0.52 0.00 0.00 52.55 53.19 1a6z s ASP 96 Cb -0.13 -2.45 1.23 0.00 -1.46 0.00 0.00 42.92 40.10 1a6z s ASP 96 CO 0.12 -0.85 1.69 0.03 0.52 0.00 0.00 175.17 176.69 1a6z h ARG 97 N 8.51 0.00 -0.00 4.34 3.08 -1.97 0.23 114.38 128.57 1a6z h ARG 97 Ca -0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.82 1a6z h ARG 97 Cb 1.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.13 1a6z h ARG 97 CO 0.97 0.00 -0.02 -0.25 -1.07 0.00 0.00 179.97 179.61 1a6z n ASP 98 N -2.87 0.08 -0.28 7.04 8.00 -1.26 -4.44 116.55 122.81 1a6z n ASP 98 Ca -0.00 -0.31 0.03 0.00 0.71 0.00 0.00 54.79 55.22 1a6z n ASP 98 Cb 0.57 -0.22 0.03 0.00 -0.02 0.00 0.00 41.12 41.48 1a6z n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04