#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1duy s ILE 1 N 0.00 2.37 -0.09 2.02 1.01 -1.26 -5.02 121.20 120.23 1duy s ILE 1 Ca 0.00 0.33 -0.04 0.00 0.00 0.00 0.00 60.65 60.95 1duy s ILE 1 Cb 0.00 -3.21 0.05 0.00 0.01 0.00 0.00 42.46 39.31 1duy s ILE 1 CO 0.00 0.06 0.18 -1.10 0.00 0.00 0.00 174.94 174.09 1duy s GLN 2 N -0.97 0.07 -0.04 2.79 -0.21 -1.26 -4.34 119.66 115.69 1duy s GLN 2 Ca 0.58 0.57 0.05 0.00 0.02 0.00 0.00 55.36 56.58 1duy s GLN 2 Cb -0.44 -0.20 -0.01 0.00 1.00 0.00 0.00 33.01 33.36 1duy s GLN 2 CO 0.50 -0.27 -0.21 1.03 -2.12 0.00 0.00 175.29 174.22 1duy s ARG 3 N 2.10 2.06 0.26 2.91 0.52 0.61 -4.94 118.95 122.47 1duy s ARG 3 Ca 0.00 -0.74 -0.30 0.00 -0.52 0.00 0.00 55.73 54.17 1duy s ARG 3 Cb -0.12 -1.80 -0.09 0.00 0.52 0.00 0.00 34.95 33.46 1duy s ARG 3 CO -0.06 0.33 1.07 0.99 0.02 0.00 0.00 175.30 177.65 1duy s THR 4 N -0.12 3.63 0.44 0.02 2.01 -1.26 -2.29 115.64 118.07 1duy s THR 4 Ca -0.02 1.61 -0.22 0.00 0.31 0.00 0.00 61.69 63.37 1duy s THR 4 Cb -0.12 -4.02 -0.09 0.00 0.01 0.00 0.00 72.50 68.28 1duy s THR 4 CO 0.02 0.37 1.05 -2.16 -0.69 0.00 0.00 174.62 173.21 1duy s PRO 5 N -1.24 3.98 0.03 4.92 0.04 -1.26 -4.27 135.00 137.20 1duy s PRO 5 Ca 0.45 1.44 -0.07 0.00 0.04 0.00 0.00 61.00 62.85 1duy s PRO 5 Cb -0.31 -2.32 -0.05 0.00 0.04 0.00 0.00 34.50 31.86 1duy s PRO 5 CO 0.39 -0.29 0.31 0.15 0.04 0.00 0.00 177.00 177.60 1duy s LYS 6 N -2.86 3.63 -0.07 4.56 1.02 -0.34 -4.91 119.74 120.77 1duy s LYS 6 Ca 0.62 -0.01 0.03 0.00 0.02 0.00 0.00 55.97 56.63 1duy s LYS 6 Cb -0.19 -3.05 0.01 0.00 -0.52 0.00 0.00 37.83 34.07 1duy s LYS 6 CO 0.24 0.62 -0.14 0.42 -0.92 0.00 0.00 175.35 175.57 1duy s ILE 7 N -1.33 1.27 -0.09 2.17 1.01 -1.26 -2.27 121.20 120.70 1duy s ILE 7 Ca 0.29 -0.56 0.01 0.00 0.00 0.00 0.00 60.65 60.39 1duy s ILE 7 Cb -0.13 -1.15 0.02 0.00 0.01 0.00 0.00 42.46 41.21 1duy s ILE 7 CO 0.17 0.38 -0.09 -1.10 0.00 0.00 0.00 174.94 174.31 1duy s GLN 8 N 0.61 1.49 -0.16 2.79 -0.21 -0.82 -5.00 119.66 118.36 1duy s GLN 8 Ca -0.15 -0.29 0.02 0.00 0.02 0.00 0.00 55.36 54.96 1duy s GLN 8 Cb -0.16 -1.42 0.01 0.00 1.00 0.00 0.00 33.01 32.44 1duy s GLN 8 CO 0.04 -0.14 -0.21 0.54 -2.12 0.00 0.00 175.29 173.41 1duy s VAL 9 N 1.24 2.05 0.31 1.09 0.11 -1.26 -0.49 120.40 123.44 1duy s VAL 9 Ca -0.04 -0.96 -0.19 0.00 -2.93 0.00 0.00 61.98 57.86 1duy s VAL 9 Cb -0.14 -1.83 0.03 0.00 -1.53 0.00 0.00 36.38 32.91 1duy s VAL 9 CO -0.03 0.54 0.73 -0.72 -3.33 0.00 0.00 175.10 172.30 1duy s TYR 10 N 1.00 -0.10 0.07 1.54 1.13 -0.31 -4.55 117.35 116.15 1duy s TYR 10 Ca -0.02 -0.42 0.02 0.00 -1.41 0.00 0.00 57.07 55.24 1duy s TYR 10 Cb -0.15 0.73 -0.04 0.00 -1.10 0.00 0.00 41.96 41.40 1duy s TYR 10 CO -0.06 -1.32 0.15 -1.54 -2.51 0.00 0.00 175.55 170.27 1duy s SER 11 N -2.96 5.96 0.16 -0.18 1.04 -1.26 0.11 113.70 116.56 1duy s SER 11 Ca 0.12 0.13 -0.16 0.00 0.48 0.00 0.00 55.95 56.53 1duy s SER 11 Cb -0.06 -1.73 0.05 0.00 0.10 0.00 0.00 66.02 64.38 1duy s SER 11 CO 0.08 0.17 1.77 -0.09 0.98 0.00 0.00 173.24 176.15 1duy h ARG 12 N 3.15 0.36 -6.43 4.02 2.43 -1.53 -3.43 114.38 112.95 1duy h ARG 12 Ca -0.46 -0.02 -0.62 0.00 -0.81 0.00 0.00 59.98 58.07 1duy h ARG 12 Cb 1.16 -0.08 -0.14 0.00 -0.42 0.00 0.00 29.97 30.49 1duy h ARG 12 CO 0.71 0.24 -0.72 -1.01 -1.51 0.00 0.00 179.97 177.68 1duy s HIS 13 N -6.16 2.63 0.19 2.20 3.76 -1.26 -5.05 115.29 111.60 1duy s HIS 13 Ca -0.13 -0.22 -0.33 0.00 -0.15 0.00 0.00 55.06 54.23 1duy s HIS 13 Cb 0.12 -1.28 -0.13 0.00 1.11 0.00 0.00 32.58 32.40 1duy s HIS 13 CO 0.72 0.52 1.55 -2.30 -0.85 0.00 0.00 174.74 174.38 1duy n PRO 14 N -0.02 2.20 -2.07 8.40 -0.02 -1.26 -4.85 135.00 137.38 1duy n PRO 14 Ca -0.10 0.79 -0.42 0.00 -2.02 0.00 0.00 63.50 61.75 1duy n PRO 14 Cb 0.56 -2.54 -0.03 0.00 -0.02 0.00 0.00 33.50 31.46 1duy n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1duy s ALA 15 N 0.66 3.66 -0.10 3.55 0.00 -1.26 -5.02 121.76 123.26 1duy s ALA 15 Ca 0.75 1.22 -0.00 0.00 0.00 0.00 0.00 51.96 53.94 1duy s ALA 15 Cb -0.65 -3.57 0.02 0.00 0.00 0.00 0.00 23.12 18.93 1duy s ALA 15 CO 0.41 -0.68 -0.07 -1.21 0.00 0.00 0.00 175.76 174.21 1duy s GLU 16 N 1.04 1.38 0.37 0.00 2.02 -1.26 -5.11 118.70 117.13 1duy s GLU 16 Ca 0.66 -0.21 -0.26 0.00 0.02 0.00 0.00 54.97 55.18 1duy s GLU 16 Cb -0.40 -1.43 -0.12 0.00 0.10 0.00 0.00 34.13 32.29 1duy s GLU 16 CO 0.31 -0.22 1.15 0.09 0.02 0.00 0.00 175.26 176.61 1duy n ASN 17 N 4.76 2.00 0.00 -0.19 3.02 -1.26 -1.85 115.26 121.75 1duy n ASN 17 Ca -0.14 1.13 0.00 0.00 -0.03 0.00 0.00 54.58 55.54 1duy n ASN 17 Cb 0.50 -1.41 0.00 0.00 -0.61 0.00 0.00 39.78 38.26 1duy n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1duy n GLY 18 N 0.98 0.61 3.41 7.41 0.00 -0.31 -5.00 105.19 112.30 1duy n GLY 18 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 1duy n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1duy s LYS 19 N -0.36 2.32 0.43 1.61 1.02 -0.77 -5.01 119.74 118.98 1duy s LYS 19 Ca 0.00 -0.81 -0.23 0.00 0.02 0.00 0.00 55.97 54.95 1duy s LYS 19 Cb 0.00 -2.23 -0.11 0.00 -0.52 0.00 0.00 37.83 34.97 1duy s LYS 19 CO 0.00 0.59 0.80 0.43 -0.92 0.00 0.00 175.35 176.26 1duy n SER 20 N 2.33 0.28 -1.25 2.83 7.64 -1.26 -4.14 113.62 120.05 1duy n SER 20 Ca -0.17 0.96 -0.01 0.00 1.01 0.00 0.00 58.87 60.67 1duy n SER 20 Cb 0.52 -1.25 0.00 0.00 -1.01 0.00 0.00 64.21 62.47 1duy n SER 20 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1duy n ASN 21 N 0.74 -0.23 -3.84 6.43 2.85 0.74 -4.96 115.26 116.97 1duy n ASN 21 Ca 0.11 -1.14 -0.17 0.00 -0.11 0.00 0.00 54.58 53.27 1duy n ASN 21 Cb 0.40 0.38 -0.16 0.00 1.24 0.00 0.00 39.78 41.64 1duy n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1duy s PHE 22 N -6.47 0.34 -0.29 1.20 0.40 -1.26 -1.60 117.98 110.30 1duy s PHE 22 Ca 0.02 -0.03 -0.16 0.00 -0.60 0.00 0.00 56.93 56.17 1duy s PHE 22 Cb -0.00 -0.39 -0.03 0.00 0.51 0.00 0.00 43.02 43.11 1duy s PHE 22 CO 0.01 -0.11 0.42 -1.17 0.70 0.00 0.00 175.22 175.07 1duy s LEU 23 N 0.80 4.13 0.11 -0.37 2.96 0.81 -1.16 118.68 125.95 1duy s LEU 23 Ca -0.08 0.23 0.05 0.00 -0.22 0.00 0.00 54.13 54.11 1duy s LEU 23 Cb -0.12 -2.49 -0.04 0.00 0.50 0.00 0.00 46.19 44.05 1duy s LEU 23 CO -0.01 -0.27 0.04 0.20 -1.32 0.00 0.00 176.35 174.99 1duy s ASN 24 N 1.65 5.19 -0.20 3.68 0.01 0.29 -1.82 114.94 123.74 1duy s ASN 24 Ca 0.16 -0.16 -0.05 0.00 -0.71 0.00 0.00 52.86 52.11 1duy s ASN 24 Cb -0.16 -1.28 0.07 0.00 0.41 0.00 0.00 41.25 40.29 1duy s ASN 24 CO 0.10 0.15 0.10 0.00 -1.51 0.00 0.00 177.10 175.94 1duy s TYR 26 N 2.12 3.23 -0.12 0.00 5.04 0.35 -0.71 117.35 127.26 1duy s TYR 26 Ca 0.04 -0.16 -0.00 0.00 -2.44 0.00 0.00 57.07 54.50 1duy s TYR 26 Cb -0.16 -2.51 -0.02 0.00 0.35 0.00 0.00 41.96 39.62 1duy s TYR 26 CO -0.16 -0.37 -0.10 0.14 -1.34 0.00 0.00 175.55 173.72 1duy s VAL 27 N 1.78 3.32 0.26 3.14 -7.23 -0.54 -1.94 120.40 119.20 1duy s VAL 27 Ca 0.07 -0.58 0.00 0.00 -1.81 0.00 0.00 61.98 59.67 1duy s VAL 27 Cb -0.17 -2.40 -0.03 0.00 0.56 0.00 0.00 36.38 34.34 1duy s VAL 27 CO 0.11 0.53 0.25 -0.94 -0.31 0.00 0.00 175.10 174.74 1duy s SER 28 N 0.12 0.70 -1.74 4.85 1.04 -0.96 -0.34 113.70 117.36 1duy s SER 28 Ca -0.05 -1.48 0.00 0.00 0.48 0.00 0.00 55.95 54.91 1duy s SER 28 Cb -0.14 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.46 1duy s SER 28 CO 0.04 -0.99 0.00 0.61 0.98 0.00 0.00 173.24 173.88 1duy n GLY 29 N -0.42 0.99 3.90 7.32 0.00 -0.02 -1.19 105.19 115.76 1duy n GLY 29 Ca 0.03 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.85 1duy n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1duy s PHE 30 N -2.60 3.00 -0.29 1.61 -0.71 -1.15 -4.27 117.98 113.58 1duy s PHE 30 Ca 0.00 -0.26 -0.22 0.00 -1.04 0.00 0.00 56.93 55.41 1duy s PHE 30 Cb 0.00 -1.85 0.17 0.00 -1.21 0.00 0.00 43.02 40.13 1duy s PHE 30 CO 0.00 0.13 1.24 -1.58 -1.34 0.00 0.00 175.22 173.67 1duy s HIS 31 N -2.24 -0.24 1.03 3.49 2.46 -0.97 -0.81 115.29 118.00 1duy s HIS 31 Ca 0.42 0.55 -0.17 0.00 0.47 0.00 0.00 55.06 56.33 1duy s HIS 31 Cb -0.07 0.36 0.26 0.00 -0.13 0.00 0.00 32.58 32.99 1duy s HIS 31 CO 0.28 -0.12 0.74 -0.35 -2.47 0.00 0.00 174.74 172.82 1duy n PRO 32 N 2.31 -3.44 0.14 2.88 -0.04 -1.26 -0.28 135.00 135.30 1duy n PRO 32 Ca -0.13 -1.21 0.01 0.00 -0.04 0.00 0.00 63.50 62.13 1duy n PRO 32 Cb 0.57 -1.34 0.11 0.00 -0.04 0.00 0.00 33.50 32.80 1duy n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1duy h SER 33 N -2.80 0.00 -2.35 3.54 4.64 -2.00 -3.45 113.55 111.13 1duy h SER 33 Ca -0.30 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.46 1duy h SER 33 Cb 0.98 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.10 1duy h SER 33 CO 0.19 0.57 1.09 0.47 -0.87 0.00 0.00 176.83 178.28 1duy n ASP 34 N -3.40 3.84 -3.66 4.97 9.92 -1.26 -4.94 116.55 122.03 1duy n ASP 34 Ca 0.01 0.98 -0.15 0.00 -0.53 0.00 0.00 54.79 55.10 1duy n ASP 34 Cb 0.69 -1.49 -0.08 0.00 -0.64 0.00 0.00 41.12 39.60 1duy n ASP 34 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 1duy s ILE 35 N 3.07 0.03 -0.16 0.53 2.07 -1.26 -4.65 121.20 120.83 1duy s ILE 35 Ca 0.85 -0.22 0.00 0.00 -1.41 0.00 0.00 60.65 59.88 1duy s ILE 35 Cb -0.54 -0.78 0.00 0.00 0.13 0.00 0.00 42.46 41.27 1duy s ILE 35 CO 0.41 -0.12 -0.16 -0.70 -1.91 0.00 0.00 174.94 172.46 1duy s GLU 36 N -1.03 3.19 -0.07 3.50 2.12 -0.23 -5.00 118.70 121.18 1duy s GLU 36 Ca -0.10 -0.76 -0.01 0.00 0.36 0.00 0.00 54.97 54.46 1duy s GLU 36 Cb -0.03 -2.62 0.03 0.00 0.26 0.00 0.00 34.13 31.77 1duy s GLU 36 CO 0.06 -0.00 -0.01 0.08 -0.54 0.00 0.00 175.26 174.85 1duy s VAL 37 N 0.86 0.43 0.11 3.70 1.01 -1.26 -1.17 120.40 124.09 1duy s VAL 37 Ca -0.05 0.07 0.08 0.00 0.00 0.00 0.00 61.98 62.09 1duy s VAL 37 Cb -0.15 -0.57 -0.04 0.00 0.00 0.00 0.00 36.38 35.62 1duy s VAL 37 CO -0.01 0.26 -0.20 -1.81 0.00 0.00 0.00 175.10 173.35 1duy s ASP 38 N 1.86 2.49 -0.12 3.32 1.01 -0.61 -4.99 116.67 119.62 1duy s ASP 38 Ca 0.04 -0.72 -0.02 0.00 0.71 0.00 0.00 52.55 52.56 1duy s ASP 38 Cb -0.12 -0.13 -0.03 0.00 1.01 0.00 0.00 42.92 43.64 1duy s ASP 38 CO -0.05 0.02 -0.05 -0.76 0.21 0.00 0.00 175.17 174.54 1duy s LEU 39 N -2.06 3.21 -0.02 1.23 1.43 -1.26 -0.77 118.68 120.44 1duy s LEU 39 Ca 0.08 -0.08 0.07 0.00 -1.03 0.00 0.00 54.13 53.16 1duy s LEU 39 Cb -0.09 -1.74 -0.02 0.00 0.03 0.00 0.00 46.19 44.37 1duy s LEU 39 CO 0.04 0.25 -0.23 -0.76 0.23 0.00 0.00 176.35 175.89 1duy s LEU 40 N -0.15 2.04 -0.32 1.79 1.43 0.11 -0.19 118.68 123.39 1duy s LEU 40 Ca 0.02 -0.42 -0.02 0.00 -1.03 0.00 0.00 54.13 52.69 1duy s LEU 40 Cb -0.13 -1.18 0.06 0.00 0.03 0.00 0.00 46.19 44.97 1duy s LEU 40 CO 0.03 0.28 0.03 -0.75 0.23 0.00 0.00 176.35 176.17 1duy s LYS 41 N -0.53 2.34 -1.54 1.70 2.20 -0.16 -1.33 119.74 122.41 1duy s LYS 41 Ca 0.09 -1.36 -0.03 0.00 -0.36 0.00 0.00 55.97 54.31 1duy s LYS 41 Cb -0.09 -3.24 0.01 0.00 -1.51 0.00 0.00 37.83 33.00 1duy s LYS 41 CO -0.01 -0.69 0.30 0.09 -0.36 0.00 0.00 175.35 174.67 1duy n ASN 42 N 4.61 -5.49 0.00 1.43 3.02 0.11 -1.75 115.26 117.19 1duy n ASN 42 Ca -0.11 -0.13 0.00 0.00 -0.03 0.00 0.00 54.58 54.31 1duy n ASN 42 Cb 0.43 -4.52 0.00 0.00 -0.61 0.00 0.00 39.78 35.08 1duy n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1duy n GLY 43 N -1.21 2.61 3.72 7.41 0.00 -1.26 -5.05 105.19 111.41 1duy n GLY 43 Ca -0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.49 1duy n GLY 43 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1duy s GLU 44 N -0.82 4.29 0.11 1.61 2.12 -0.72 -4.98 118.70 120.32 1duy s GLU 44 Ca 0.00 0.27 -0.33 0.00 0.36 0.00 0.00 54.97 55.27 1duy s GLU 44 Cb 0.00 -3.44 -0.12 0.00 0.26 0.00 0.00 34.13 30.83 1duy s GLU 44 CO 0.00 0.19 1.74 -2.13 -0.54 0.00 0.00 175.26 174.52 1duy n ARG 45 N 3.67 2.46 -2.83 4.30 0.63 -1.26 -0.99 116.66 122.63 1duy n ARG 45 Ca -0.09 0.89 -0.41 0.00 -0.92 0.00 0.00 57.85 57.32 1duy n ARG 45 Cb 0.52 -2.73 -0.04 0.00 0.45 0.00 0.00 32.46 30.66 1duy n ARG 45 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1duy s ILE 46 N 2.14 4.78 -0.01 5.15 1.01 0.73 -4.91 121.20 130.10 1duy s ILE 46 Ca 0.82 1.87 -0.23 0.00 0.00 0.00 0.00 60.65 63.11 1duy s ILE 46 Cb -0.59 -4.23 -0.15 0.00 0.01 0.00 0.00 42.46 37.49 1duy s ILE 46 CO 0.39 0.25 1.05 -0.33 0.00 0.00 0.00 174.94 176.31 1duy h GLU 47 N 6.27 -0.38 -4.65 2.79 5.08 -1.91 -3.39 114.58 118.40 1duy h GLU 47 Ca -0.42 0.03 -0.72 0.00 -1.00 0.00 0.00 59.36 57.25 1duy h GLU 47 Cb 1.21 0.09 -0.11 0.00 0.50 0.00 0.00 28.75 30.44 1duy h GLU 47 CO 0.73 -0.04 2.16 1.17 -1.00 0.00 0.00 179.01 182.04 1duy n LYS 48 N -5.08 3.25 -4.37 2.33 3.00 -1.26 -4.92 118.16 111.11 1duy n LYS 48 Ca -0.09 -3.33 -0.33 0.00 -0.00 0.00 0.00 58.31 54.56 1duy n LYS 48 Cb 0.27 -3.21 -0.15 0.00 0.00 0.00 0.00 35.03 31.93 1duy n LYS 48 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1duy s VAL 49 N 2.48 2.58 0.31 3.15 1.01 -1.26 -4.67 120.40 124.00 1duy s VAL 49 Ca 0.46 -0.79 0.07 0.00 0.00 0.00 0.00 61.98 61.73 1duy s VAL 49 Cb 0.06 -2.10 -0.03 0.00 0.00 0.00 0.00 36.38 34.31 1duy s VAL 49 CO 0.01 0.51 0.28 -1.61 0.00 0.00 0.00 175.10 174.28 1duy s GLU 50 N 1.00 2.82 0.03 2.72 2.02 -0.80 -4.92 118.70 121.56 1duy s GLU 50 Ca -0.02 -1.20 -0.07 0.00 0.02 0.00 0.00 54.97 53.70 1duy s GLU 50 Cb -0.15 -2.53 -0.00 0.00 0.10 0.00 0.00 34.13 31.55 1duy s GLU 50 CO -0.03 0.19 0.13 -3.38 0.02 0.00 0.00 175.26 172.19 1duy s HIS 51 N -2.24 0.12 0.96 1.61 -3.43 -1.26 -0.82 115.29 110.23 1duy s HIS 51 Ca 0.39 -0.35 -0.12 0.00 -0.80 0.00 0.00 55.06 54.18 1duy s HIS 51 Cb -0.07 -0.09 0.17 0.00 -1.43 0.00 0.00 32.58 31.16 1duy s HIS 51 CO 0.26 -0.36 1.09 -1.54 -2.00 0.00 0.00 174.74 172.19 1duy s SER 52 N -1.92 2.84 0.25 7.38 1.04 -0.28 -4.97 113.70 118.03 1duy s SER 52 Ca -0.08 1.56 -0.30 0.00 0.48 0.00 0.00 55.95 57.61 1duy s SER 52 Cb -0.03 -2.22 -0.09 0.00 0.10 0.00 0.00 66.02 63.78 1duy s SER 52 CO -0.03 -3.04 1.11 -1.81 0.98 0.00 0.00 173.24 170.45 1duy s ASP 53 N -3.16 7.26 0.01 7.02 1.01 -1.26 -4.71 116.67 122.84 1duy s ASP 53 Ca 0.65 2.22 -0.36 0.00 0.71 0.00 0.00 52.55 55.77 1duy s ASP 53 Cb -0.20 -2.62 -0.15 0.00 1.01 0.00 0.00 42.92 40.96 1duy s ASP 53 CO 0.59 -0.18 1.55 -0.11 0.21 0.00 0.00 175.17 177.22 1duy n LEU 54 N 1.60 2.36 -4.23 1.23 7.94 -1.26 -4.93 117.00 119.71 1duy n LEU 54 Ca 0.00 1.08 -0.15 0.00 -1.11 0.00 0.00 56.01 55.84 1duy n LEU 54 Cb 0.45 -1.26 -0.09 0.00 0.53 0.00 0.00 43.42 43.05 1duy n LEU 54 CO 0.54 -0.62 -0.16 -0.55 -1.11 0.00 0.00 177.39 175.49 1duy s SER 55 N 1.65 0.81 0.08 1.96 0.15 -1.21 -5.06 113.70 112.08 1duy s SER 55 Ca 0.87 -1.54 -0.05 0.00 0.70 0.00 0.00 55.95 55.93 1duy s SER 55 Cb -0.88 0.47 -0.02 0.00 -1.71 0.00 0.00 66.02 63.87 1duy s SER 55 CO 0.49 -0.96 0.09 0.72 1.20 0.00 0.00 173.24 174.79 1duy s PHE 56 N -3.82 0.39 0.77 3.44 -0.12 -1.26 -1.93 117.98 115.44 1duy s PHE 56 Ca 0.39 -0.86 -0.05 0.00 -0.05 0.00 0.00 56.93 56.36 1duy s PHE 56 Cb 0.05 -0.24 0.16 0.00 -0.63 0.00 0.00 43.02 42.36 1duy s PHE 56 CO 0.19 -0.49 1.05 0.43 -0.05 0.00 0.00 175.22 176.35 1duy n SER 57 N -0.00 0.96 0.24 1.98 7.64 0.34 -4.91 113.62 119.88 1duy n SER 57 Ca -0.13 -1.92 0.07 0.00 1.01 0.00 0.00 58.87 57.90 1duy n SER 57 Cb 0.62 -0.72 0.59 0.00 -1.01 0.00 0.00 64.21 63.68 1duy n SER 57 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1duy h LYS 58 N 0.00 0.00 -0.07 1.43 3.64 -2.03 0.13 116.57 119.68 1duy h LYS 58 Ca -0.34 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 1duy h LYS 58 Cb 1.16 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 1duy h LYS 58 CO 0.33 0.07 0.00 -0.40 -2.27 0.00 0.00 179.45 177.18 1duy n ASP 59 N -4.46 0.50 0.00 4.20 5.75 -1.26 -4.88 116.55 116.40 1duy n ASP 59 Ca -0.03 -1.76 0.00 0.00 -0.01 0.00 0.00 54.79 52.99 1duy n ASP 59 Cb 0.15 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.19 1duy n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1duy n TRP 60 N -0.34 0.00 -2.27 2.11 7.02 0.03 -5.02 117.44 118.98 1duy n TRP 60 Ca 0.09 0.00 -0.40 0.00 -1.02 0.00 0.00 57.50 56.17 1duy n TRP 60 Cb 0.11 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 28.97 1duy n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1duy s SER 61 N -3.88 6.81 0.65 -0.99 1.04 -1.26 -4.59 113.70 111.48 1duy s SER 61 Ca 0.00 2.46 -0.11 0.00 0.48 0.00 0.00 55.95 58.78 1duy s SER 61 Cb 0.00 -2.63 -0.02 0.00 0.10 0.00 0.00 66.02 63.47 1duy s SER 61 CO 0.00 -0.48 1.04 -0.36 0.98 0.00 0.00 173.24 174.42 1duy s PHE 62 N -1.24 3.49 -0.11 5.02 0.08 0.01 -0.50 117.98 124.73 1duy s PHE 62 Ca 0.51 1.15 -0.23 0.00 0.12 0.00 0.00 56.93 58.47 1duy s PHE 62 Cb -0.35 -2.84 0.05 0.00 -0.57 0.00 0.00 43.02 39.31 1duy s PHE 62 CO 0.45 -0.87 0.55 1.52 -0.10 0.00 0.00 175.22 176.77 1duy s TYR 63 N -3.23 -0.54 0.01 0.36 -0.85 -0.82 -0.84 117.35 111.45 1duy s TYR 63 Ca 0.56 1.10 -0.04 0.00 -0.52 0.00 0.00 57.07 58.16 1duy s TYR 63 Cb -0.11 0.26 -0.01 0.00 0.38 0.00 0.00 41.96 42.48 1duy s TYR 63 CO 0.52 -0.44 0.07 -0.51 -1.52 0.00 0.00 175.55 173.67 1duy s LEU 64 N -0.63 1.84 -0.22 -3.49 1.43 0.53 -3.32 118.68 114.83 1duy s LEU 64 Ca -0.07 -0.32 -0.01 0.00 -1.03 0.00 0.00 54.13 52.69 1duy s LEU 64 Cb -0.03 0.43 0.02 0.00 0.03 0.00 0.00 46.19 46.64 1duy s LEU 64 CO 0.05 -0.34 -0.11 -0.22 0.23 0.00 0.00 176.35 175.97 1duy s LEU 65 N -1.40 2.83 -0.15 1.79 2.96 -1.26 -1.47 118.68 121.98 1duy s LEU 65 Ca -0.15 -0.76 -0.06 0.00 -0.22 0.00 0.00 54.13 52.94 1duy s LEU 65 Cb -0.09 -1.61 -0.04 0.00 0.50 0.00 0.00 46.19 44.96 1duy s LEU 65 CO 0.00 -0.07 0.06 -0.31 -1.32 0.00 0.00 176.35 174.71 1duy s TYR 66 N 1.32 3.28 -0.01 5.38 1.51 0.11 -1.13 117.35 127.81 1duy s TYR 66 Ca 0.02 0.15 -0.17 0.00 -1.01 0.00 0.00 57.07 56.06 1duy s TYR 66 Cb -0.15 -1.99 0.03 0.00 -0.11 0.00 0.00 41.96 39.73 1duy s TYR 66 CO -0.07 0.30 0.36 1.52 -1.11 0.00 0.00 175.55 176.55 1duy s TYR 67 N -0.11 -0.23 0.05 2.71 1.13 -0.00 -0.03 117.35 120.88 1duy s TYR 67 Ca 0.07 0.32 -0.10 0.00 -1.41 0.00 0.00 57.07 55.95 1duy s TYR 67 Cb -0.12 0.14 0.00 0.00 -1.10 0.00 0.00 41.96 40.88 1duy s TYR 67 CO 0.01 -0.44 0.20 -0.08 -2.51 0.00 0.00 175.55 172.73 1duy s THR 68 N -1.56 0.11 0.16 -3.49 -1.32 -0.76 -1.91 115.64 106.88 1duy s THR 68 Ca -0.12 -0.93 -0.30 0.00 -1.21 0.00 0.00 61.69 59.14 1duy s THR 68 Cb -0.04 -0.99 -0.07 0.00 -1.51 0.00 0.00 72.50 69.89 1duy s THR 68 CO 0.03 -0.51 0.94 -1.61 -2.21 0.00 0.00 174.62 171.27 1duy s GLU 69 N -2.81 4.75 0.16 7.08 2.02 -1.26 -0.14 118.70 128.50 1duy s GLU 69 Ca -0.03 1.45 -0.18 0.00 0.02 0.00 0.00 54.97 56.23 1duy s GLU 69 Cb 0.00 -3.34 0.04 0.00 0.10 0.00 0.00 34.13 30.93 1duy s GLU 69 CO -0.05 0.33 0.49 -0.59 0.02 0.00 0.00 175.26 175.46 1duy s PHE 70 N -0.45 -0.26 -0.33 1.61 -0.71 -0.63 -4.85 117.98 112.36 1duy s PHE 70 Ca 0.44 -0.04 0.02 0.00 -1.04 0.00 0.00 56.93 56.31 1duy s PHE 70 Cb -0.24 0.38 0.10 0.00 -1.21 0.00 0.00 43.02 42.05 1duy s PHE 70 CO 0.30 -0.81 0.08 0.99 -1.34 0.00 0.00 175.22 174.44 1duy s THR 71 N -3.81 1.70 0.66 -4.49 2.01 -1.26 -0.19 115.64 110.26 1duy s THR 71 Ca 0.04 -1.99 -0.18 0.00 0.31 0.00 0.00 61.69 59.88 1duy s THR 71 Cb 0.00 -2.27 -0.01 0.00 0.01 0.00 0.00 72.50 70.24 1duy s THR 71 CO -0.09 -0.64 1.23 -0.81 -0.69 0.00 0.00 174.62 173.62 1duy n PRO 72 N 4.46 0.99 -4.47 4.92 -0.04 -1.26 -4.73 135.00 134.87 1duy n PRO 72 Ca 0.02 0.39 -0.24 0.00 -0.04 0.00 0.00 63.50 63.63 1duy n PRO 72 Cb 0.42 -2.46 -0.08 0.00 -0.04 0.00 0.00 33.50 31.33 1duy n PRO 72 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1duy s THR 73 N -1.47 0.55 0.07 0.52 -4.23 -1.26 -1.16 115.64 108.66 1duy s THR 73 Ca 0.81 -2.00 -0.18 0.00 -1.18 0.00 0.00 61.69 59.14 1duy s THR 73 Cb -0.38 -2.41 -0.11 0.00 1.34 0.00 0.00 72.50 70.95 1duy s THR 73 CO 0.42 0.00 1.40 -0.08 -0.54 0.00 0.00 174.62 175.82 1duy h GLU 74 N 1.89 0.52 0.00 3.99 4.81 -1.97 -3.34 114.58 120.47 1duy h GLU 74 Ca -0.35 -0.26 -0.05 0.00 -0.13 0.00 0.00 59.36 58.58 1duy h GLU 74 Cb 1.27 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.64 1duy h GLU 74 CO 0.55 0.83 -0.81 1.57 -0.73 0.00 0.00 179.01 180.42 1duy h LYS 75 N 0.21 0.00 -6.59 1.92 2.10 -2.02 -3.47 116.57 108.72 1duy h LYS 75 Ca 0.04 0.00 -0.53 0.00 -2.00 0.00 0.00 60.65 58.16 1duy h LYS 75 Cb 0.71 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 32.06 1duy h LYS 75 CO 0.05 0.12 0.63 -0.51 -2.00 0.00 0.00 179.45 177.73 1duy s ASP 76 N -5.77 6.97 -0.10 7.07 1.01 -1.26 -5.02 116.67 119.58 1duy s ASP 76 Ca 0.01 2.24 -0.03 0.00 0.71 0.00 0.00 52.55 55.48 1duy s ASP 76 Cb 0.08 -2.59 -0.03 0.00 1.01 0.00 0.00 42.92 41.38 1duy s ASP 76 CO 0.76 -0.51 0.03 -1.61 0.21 0.00 0.00 175.17 174.06 1duy s GLU 77 N 0.49 3.13 0.16 8.23 2.02 -1.26 -4.72 118.70 126.75 1duy s GLU 77 Ca 0.58 -0.35 0.07 0.00 0.02 0.00 0.00 54.97 55.30 1duy s GLU 77 Cb -0.34 -2.90 -0.04 0.00 0.10 0.00 0.00 34.13 30.95 1duy s GLU 77 CO 0.33 0.70 -0.14 0.71 0.02 0.00 0.00 175.26 176.88 1duy s TYR 78 N -0.85 1.57 0.23 1.61 1.51 -1.26 0.06 117.35 120.22 1duy s TYR 78 Ca 0.13 -0.58 -0.22 0.00 -1.01 0.00 0.00 57.07 55.39 1duy s TYR 78 Cb -0.12 -0.77 0.04 0.00 -0.11 0.00 0.00 41.96 41.00 1duy s TYR 78 CO 0.03 0.25 0.68 0.00 -1.11 0.00 0.00 175.55 175.39 1duy s ALA 79 N -2.61 -1.38 -0.06 3.71 0.00 -0.44 -0.12 121.76 120.85 1duy s ALA 79 Ca 0.16 0.02 0.05 0.00 0.00 0.00 0.00 51.96 52.20 1duy s ALA 79 Cb -0.02 0.86 -0.01 0.00 0.00 0.00 0.00 23.12 23.94 1duy s ALA 79 CO 0.05 -0.93 -0.23 0.00 0.00 0.00 0.00 175.76 174.64 1duy s ARG 81 N -0.18 2.67 -0.02 0.00 3.52 0.05 -0.90 118.95 124.09 1duy s ARG 81 Ca -0.03 -0.74 0.06 0.00 -0.13 0.00 0.00 55.73 54.89 1duy s ARG 81 Cb -0.14 -2.12 -0.01 0.00 -1.56 0.00 0.00 34.95 31.13 1duy s ARG 81 CO 0.04 0.06 -0.20 0.08 -0.81 0.00 0.00 175.30 174.47 1duy s VAL 82 N 0.64 1.59 -0.03 7.11 1.01 0.76 -1.57 120.40 129.91 1duy s VAL 82 Ca -0.13 -0.85 0.06 0.00 0.00 0.00 0.00 61.98 61.07 1duy s VAL 82 Cb -0.16 -1.33 -0.01 0.00 0.00 0.00 0.00 36.38 34.87 1duy s VAL 82 CO 0.03 0.45 -0.22 0.20 0.00 0.00 0.00 175.10 175.56 1duy s ASN 83 N -0.35 2.62 -0.03 3.32 0.01 -0.31 -0.39 114.94 119.81 1duy s ASN 83 Ca 0.05 -0.41 -0.29 0.00 -0.71 0.00 0.00 52.86 51.50 1duy s ASN 83 Cb -0.09 -0.40 0.10 0.00 0.41 0.00 0.00 41.25 41.27 1duy s ASN 83 CO 0.00 0.26 0.84 -2.28 -1.51 0.00 0.00 177.10 174.41 1duy s HIS 84 N -0.41 -0.43 0.59 2.20 5.65 -1.26 -1.07 115.29 120.56 1duy s HIS 84 Ca 0.05 0.50 0.29 0.00 0.25 0.00 0.00 55.06 56.15 1duy s HIS 84 Cb -0.10 0.50 1.65 0.00 -1.18 0.00 0.00 32.58 33.45 1duy s HIS 84 CO 0.00 -0.54 2.09 -0.24 -0.65 0.00 0.00 174.74 175.40 1duy h VAL 85 N 2.32 0.46 -0.00 0.89 3.04 -1.95 0.27 116.25 121.27 1duy h VAL 85 Ca -0.23 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.46 1duy h VAL 85 Cb 1.21 0.82 0.00 0.00 -2.01 0.00 0.00 31.29 31.31 1duy h VAL 85 CO 0.33 0.00 -0.00 0.35 -1.01 0.00 0.00 177.57 177.24 1duy n THR 86 N -3.78 0.00 -3.79 3.17 -2.24 -1.26 -4.70 114.28 101.68 1duy n THR 86 Ca 0.02 -0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.43 1duy n THR 86 Cb 0.35 -0.49 -0.13 0.00 -2.10 0.00 0.00 70.33 67.96 1duy n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1duy s LEU 87 N -2.52 4.26 0.65 3.22 1.43 0.94 -4.93 118.68 121.73 1duy s LEU 87 Ca 0.30 -1.20 0.39 0.00 -1.03 0.00 0.00 54.13 52.59 1duy s LEU 87 Cb 0.20 -1.83 2.17 0.00 0.03 0.00 0.00 46.19 46.76 1duy s LEU 87 CO 0.45 -0.32 2.28 0.77 0.23 0.00 0.00 176.35 179.76 1duy h SER 88 N 8.17 0.00 -5.05 2.29 4.64 -1.84 -3.43 113.55 118.33 1duy h SER 88 Ca -0.22 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.99 1duy h SER 88 Cb 1.08 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 62.99 1duy h SER 88 CO 0.59 0.00 -0.35 -1.10 -0.87 0.00 0.00 176.83 175.10 1duy s GLN 89 N -4.29 0.70 0.27 4.77 -0.21 -1.26 -5.12 119.66 114.52 1duy s GLN 89 Ca -0.05 -0.53 -0.31 0.00 0.02 0.00 0.00 55.36 54.50 1duy s GLN 89 Cb 0.13 0.30 -0.12 0.00 1.00 0.00 0.00 33.01 34.32 1duy s GLN 89 CO 0.44 -0.21 1.50 -0.35 -2.12 0.00 0.00 175.29 174.55 1duy n PRO 90 N 0.79 2.37 -3.51 2.91 -0.04 -1.26 -4.93 135.00 131.33 1duy n PRO 90 Ca -0.19 0.84 -0.38 0.00 -0.04 0.00 0.00 63.50 63.73 1duy n PRO 90 Cb 0.58 -2.56 -0.10 0.00 -0.04 0.00 0.00 33.50 31.38 1duy n PRO 90 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1duy s LYS 91 N -0.50 4.01 -0.16 0.54 2.47 0.48 -4.88 119.74 121.70 1duy s LYS 91 Ca 0.66 -0.14 -0.03 0.00 -1.56 0.00 0.00 55.97 54.90 1duy s LYS 91 Cb -0.57 -3.63 -0.02 0.00 -1.46 0.00 0.00 37.83 32.15 1duy s LYS 91 CO 0.49 -0.17 -0.06 0.42 0.16 0.00 0.00 175.35 176.19 1duy s ILE 92 N 1.75 3.61 -0.16 5.43 1.01 -1.26 -0.17 121.20 131.41 1duy s ILE 92 Ca 0.11 -0.46 0.01 0.00 0.00 0.00 0.00 60.65 60.31 1duy s ILE 92 Cb -0.15 -2.57 0.02 0.00 0.01 0.00 0.00 42.46 39.76 1duy s ILE 92 CO 0.09 0.49 -0.17 -0.69 0.00 0.00 0.00 174.94 174.67 1duy s VAL 93 N 0.48 1.76 0.33 2.92 1.01 -0.08 -4.98 120.40 121.84 1duy s VAL 93 Ca -0.05 -0.76 -0.27 0.00 0.00 0.00 0.00 61.98 60.90 1duy s VAL 93 Cb -0.15 -1.62 -0.09 0.00 0.00 0.00 0.00 36.38 34.52 1duy s VAL 93 CO 0.03 0.49 1.07 -0.54 0.00 0.00 0.00 175.10 176.16 1duy s LYS 94 N 1.33 4.45 0.04 2.72 1.02 -1.26 -1.38 119.74 126.66 1duy s LYS 94 Ca 0.03 1.67 -0.30 0.00 0.02 0.00 0.00 55.97 57.39 1duy s LYS 94 Cb -0.13 -2.93 -0.05 0.00 -0.52 0.00 0.00 37.83 34.20 1duy s LYS 94 CO -0.10 0.08 1.09 -0.46 -0.92 0.00 0.00 175.35 175.04 1duy s TRP 95 N -1.36 3.55 -0.16 3.18 -0.00 0.83 -4.92 118.94 120.05 1duy s TRP 95 Ca 0.50 1.50 0.01 0.00 -0.00 0.00 0.00 56.10 58.11 1duy s TRP 95 Cb -0.28 -3.27 0.03 0.00 -0.00 0.00 0.00 33.47 29.95 1duy s TRP 95 CO 0.35 -0.65 -0.15 0.34 -0.00 0.00 0.00 176.95 176.85 1duy s ASP 96 N 0.97 2.91 0.59 5.86 -1.08 -1.26 -4.70 116.67 119.95 1duy s ASP 96 Ca 0.55 -0.60 0.34 0.00 -0.52 0.00 0.00 52.55 52.32 1duy s ASP 96 Cb -0.26 -1.25 1.86 0.00 -1.46 0.00 0.00 42.92 41.81 1duy s ASP 96 CO 0.29 -0.06 2.04 0.08 0.52 0.00 0.00 175.17 178.04 1duy h ARG 97 N 8.01 0.00 -1.20 4.34 0.11 -1.95 -2.05 114.38 121.64 1duy h ARG 97 Ca -0.38 0.00 -0.65 0.00 0.10 0.00 0.00 59.98 59.06 1duy h ARG 97 Cb 1.13 0.00 -0.35 0.00 1.11 0.00 0.00 29.97 31.86 1duy h ARG 97 CO 0.54 0.00 0.18 -3.47 0.10 0.00 0.00 179.97 177.32 1duy n ASP 98 N -2.81 6.41 0.00 0.08 2.03 -1.26 -4.74 116.55 116.26 1duy n ASP 98 Ca -0.02 -3.78 0.00 0.00 0.52 0.00 0.00 54.79 51.51 1duy n ASP 98 Cb 0.18 -0.73 0.00 0.00 -0.72 0.00 0.00 41.12 39.85 1duy n ASP 98 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51