#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dyp n ILE 1 N 0.00 -0.35 -4.17 3.17 2.08 -1.26 -5.13 119.36 113.69 2dyp n ILE 1 Ca 0.00 0.00 -0.13 0.00 0.56 0.00 0.00 62.75 63.18 2dyp n ILE 1 Cb 0.00 -0.35 -0.11 0.00 -0.75 0.00 0.00 39.64 38.43 2dyp n ILE 1 CO 0.00 0.00 0.00 -1.10 0.56 0.00 0.00 176.55 176.01 2dyp s GLN 2 N -3.58 0.84 0.01 0.38 -0.21 -1.26 -4.74 119.66 111.10 2dyp s GLN 2 Ca 0.00 -1.20 0.03 0.00 0.02 0.00 0.00 55.36 54.21 2dyp s GLN 2 Cb 0.00 -0.45 -0.01 0.00 1.00 0.00 0.00 33.01 33.55 2dyp s GLN 2 CO 0.00 0.06 -0.09 1.03 -2.12 0.00 0.00 175.29 174.16 2dyp s ARG 3 N -3.03 0.68 0.43 2.91 0.52 0.04 -4.88 118.95 115.62 2dyp s ARG 3 Ca 0.07 -0.49 -0.21 0.00 -0.52 0.00 0.00 55.73 54.57 2dyp s ARG 3 Cb -0.01 -0.63 -0.11 0.00 0.52 0.00 0.00 34.95 34.72 2dyp s ARG 3 CO -0.01 0.16 0.96 0.95 0.02 0.00 0.00 175.30 177.38 2dyp s THR 4 N -0.58 4.34 0.25 0.02 -4.23 -1.26 -1.67 115.64 112.50 2dyp s THR 4 Ca 0.00 1.49 -0.30 0.00 -1.18 0.00 0.00 61.69 61.70 2dyp s THR 4 Cb -0.06 -3.62 -0.09 0.00 1.34 0.00 0.00 72.50 70.07 2dyp s THR 4 CO 0.00 -0.28 0.98 -2.16 -0.54 0.00 0.00 174.62 172.62 2dyp s PRO 5 N -3.10 4.80 0.17 3.99 0.04 -1.26 -3.83 135.00 135.82 2dyp s PRO 5 Ca 0.61 1.57 0.05 0.00 0.04 0.00 0.00 61.00 63.28 2dyp s PRO 5 Cb -0.10 -3.26 -0.04 0.00 0.04 0.00 0.00 34.50 31.14 2dyp s PRO 5 CO 0.14 0.43 0.15 0.15 0.04 0.00 0.00 177.00 177.92 2dyp s LYS 6 N -1.22 2.94 0.01 4.56 3.01 0.74 -4.92 119.74 124.86 2dyp s LYS 6 Ca 0.42 -0.87 -0.00 0.00 -1.01 0.00 0.00 55.97 54.51 2dyp s LYS 6 Cb -0.27 -2.66 -0.01 0.00 -1.01 0.00 0.00 37.83 33.88 2dyp s LYS 6 CO 0.34 0.48 -0.01 0.42 0.51 0.00 0.00 175.35 177.09 2dyp s ILE 7 N -1.79 0.04 -0.02 2.17 1.01 -1.26 -1.73 121.20 119.62 2dyp s ILE 7 Ca 0.31 -0.36 0.00 0.00 0.00 0.00 0.00 60.65 60.60 2dyp s ILE 7 Cb -0.10 -0.11 0.03 0.00 0.01 0.00 0.00 42.46 42.29 2dyp s ILE 7 CO 0.24 -0.20 0.02 -1.10 0.00 0.00 0.00 174.94 173.90 2dyp s GLN 8 N -0.58 0.04 -0.14 2.79 -0.21 -0.73 -5.00 119.66 115.83 2dyp s GLN 8 Ca -0.06 0.16 0.01 0.00 0.02 0.00 0.00 55.36 55.48 2dyp s GLN 8 Cb -0.04 -0.30 -0.00 0.00 1.00 0.00 0.00 33.01 33.67 2dyp s GLN 8 CO -0.00 -0.16 -0.17 0.08 -2.12 0.00 0.00 175.29 172.92 2dyp s VAL 9 N 1.04 2.55 0.18 1.09 1.01 -1.26 -0.89 120.40 124.11 2dyp s VAL 9 Ca -0.09 -0.82 -0.24 0.00 0.00 0.00 0.00 61.98 60.83 2dyp s VAL 9 Cb -0.13 -2.06 0.05 0.00 0.00 0.00 0.00 36.38 34.25 2dyp s VAL 9 CO -0.03 0.53 0.85 -0.72 0.00 0.00 0.00 175.10 175.73 2dyp s TYR 10 N 0.70 -0.21 0.16 5.22 1.13 -0.45 -4.62 117.35 119.28 2dyp s TYR 10 Ca -0.08 -0.12 -0.04 0.00 -1.41 0.00 0.00 57.07 55.42 2dyp s TYR 10 Cb -0.16 0.64 -0.05 0.00 -1.10 0.00 0.00 41.96 41.29 2dyp s TYR 10 CO 0.01 -0.92 0.38 -1.54 -2.51 0.00 0.00 175.55 170.97 2dyp s SER 11 N -2.87 6.47 0.27 -0.18 1.04 -1.26 0.10 113.70 117.27 2dyp s SER 11 Ca 0.10 0.56 -0.03 0.00 0.48 0.00 0.00 55.95 57.06 2dyp s SER 11 Cb -0.03 -2.08 0.34 0.00 0.10 0.00 0.00 66.02 64.36 2dyp s SER 11 CO 0.01 0.03 1.84 -0.09 0.98 0.00 0.00 173.24 176.01 2dyp h ARG 12 N 2.63 0.97 -5.71 4.02 2.43 -1.20 -3.44 114.38 114.09 2dyp h ARG 12 Ca -0.46 -0.17 -0.49 0.00 -0.81 0.00 0.00 59.98 58.05 2dyp h ARG 12 Cb 1.17 -0.16 -0.14 0.00 -0.42 0.00 0.00 29.97 30.41 2dyp h ARG 12 CO 0.72 0.80 -0.73 -1.01 -1.51 0.00 0.00 179.97 178.24 2dyp s HIS 13 N -5.43 1.87 0.20 2.20 3.76 -1.26 -5.03 115.29 111.61 2dyp s HIS 13 Ca -0.11 -0.53 -0.33 0.00 -0.15 0.00 0.00 55.06 53.95 2dyp s HIS 13 Cb 0.16 -0.88 -0.13 0.00 1.11 0.00 0.00 32.58 32.84 2dyp s HIS 13 CO 0.81 0.44 1.56 -2.30 -0.85 0.00 0.00 174.74 174.39 2dyp n PRO 14 N -0.46 2.26 -2.05 8.40 -0.02 -1.26 -4.87 135.00 137.00 2dyp n PRO 14 Ca -0.07 0.81 -0.42 0.00 -2.02 0.00 0.00 63.50 61.80 2dyp n PRO 14 Cb 0.61 -2.57 -0.03 0.00 -0.02 0.00 0.00 33.50 31.49 2dyp n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2dyp s ALA 15 N 0.62 3.68 -0.16 3.55 0.00 -1.26 -5.01 121.76 123.19 2dyp s ALA 15 Ca 0.74 1.22 -0.04 0.00 0.00 0.00 0.00 51.96 53.88 2dyp s ALA 15 Cb -0.63 -3.59 0.07 0.00 0.00 0.00 0.00 23.12 18.97 2dyp s ALA 15 CO 0.41 -0.74 0.17 -1.83 0.00 0.00 0.00 175.76 173.77 2dyp s GLU 16 N 1.33 0.11 0.21 0.00 -1.05 -1.26 -5.11 118.70 112.92 2dyp s GLU 16 Ca 0.68 0.24 -0.29 0.00 -0.15 0.00 0.00 54.97 55.44 2dyp s GLU 16 Cb -0.40 -1.09 -0.16 0.00 -0.44 0.00 0.00 34.13 32.04 2dyp s GLU 16 CO 0.31 -0.56 0.76 0.09 0.95 0.00 0.00 175.26 176.81 2dyp n ASN 17 N 5.31 -0.20 0.00 0.83 3.02 -1.26 -1.50 115.26 121.46 2dyp n ASN 17 Ca -0.06 1.15 0.00 0.00 -0.03 0.00 0.00 54.58 55.64 2dyp n ASN 17 Cb 0.49 -1.07 0.00 0.00 -0.61 0.00 0.00 39.78 38.60 2dyp n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2dyp n GLY 18 N 1.75 2.84 3.60 7.41 0.00 -0.87 -4.96 105.19 114.96 2dyp n GLY 18 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 2dyp n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2dyp s LYS 19 N -0.10 3.93 0.47 1.61 2.47 -0.56 -4.98 119.74 122.57 2dyp s LYS 19 Ca 0.00 -0.36 -0.23 0.00 -1.56 0.00 0.00 55.97 53.82 2dyp s LYS 19 Cb 0.00 -3.25 -0.09 0.00 -1.46 0.00 0.00 37.83 33.03 2dyp s LYS 19 CO 0.00 0.18 0.94 0.45 0.16 0.00 0.00 175.35 177.09 2dyp n SER 20 N 3.81 0.89 -0.97 1.43 2.88 -1.26 -4.06 113.62 116.34 2dyp n SER 20 Ca -0.16 0.96 0.00 0.00 -1.33 0.00 0.00 58.87 58.34 2dyp n SER 20 Cb 0.52 -1.34 0.00 0.00 -0.75 0.00 0.00 64.21 62.64 2dyp n SER 20 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2dyp n ASN 21 N 0.29 0.00 -3.95 -3.46 2.85 0.17 -4.97 115.26 106.19 2dyp n ASN 21 Ca 0.10 -0.97 -0.24 0.00 -0.11 0.00 0.00 54.58 53.37 2dyp n ASN 21 Cb 0.41 0.00 -0.17 0.00 1.24 0.00 0.00 39.78 41.27 2dyp n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 2dyp s PHE 22 N -8.29 1.21 -0.19 1.20 0.08 -1.26 -0.45 117.98 110.28 2dyp s PHE 22 Ca 0.00 -0.46 -0.15 0.00 0.12 0.00 0.00 56.93 56.44 2dyp s PHE 22 Cb 0.00 -0.97 -0.04 0.00 -0.57 0.00 0.00 43.02 41.44 2dyp s PHE 22 CO 0.00 -0.30 0.34 -1.17 -0.10 0.00 0.00 175.22 173.99 2dyp s LEU 23 N 1.02 4.19 0.03 -0.37 2.96 -0.31 -0.54 118.68 125.65 2dyp s LEU 23 Ca -0.09 0.49 0.06 0.00 -0.22 0.00 0.00 54.13 54.37 2dyp s LEU 23 Cb -0.15 -2.43 -0.03 0.00 0.50 0.00 0.00 46.19 44.08 2dyp s LEU 23 CO -0.00 0.00 -0.13 0.20 -1.32 0.00 0.00 176.35 175.09 2dyp s ASN 24 N 0.83 4.13 -0.28 3.68 0.01 0.29 -2.04 114.94 121.57 2dyp s ASN 24 Ca 0.17 -0.32 -0.00 0.00 -0.71 0.00 0.00 52.86 52.00 2dyp s ASN 24 Cb -0.14 -0.79 0.08 0.00 0.41 0.00 0.00 41.25 40.81 2dyp s ASN 24 CO 0.06 0.26 0.05 0.00 -1.51 0.00 0.00 177.10 175.96 2dyp s TYR 26 N 1.51 3.22 -0.17 0.00 5.04 -0.07 -1.23 117.35 125.65 2dyp s TYR 26 Ca 0.05 0.25 0.00 0.00 -2.44 0.00 0.00 57.07 54.93 2dyp s TYR 26 Cb -0.18 -2.72 0.01 0.00 0.35 0.00 0.00 41.96 39.42 2dyp s TYR 26 CO -0.16 -0.38 -0.16 0.08 -1.34 0.00 0.00 175.55 173.59 2dyp s VAL 27 N 2.18 2.49 0.30 3.14 1.01 -0.21 -1.78 120.40 127.54 2dyp s VAL 27 Ca 0.16 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.34 2dyp s VAL 27 Cb -0.16 -2.06 -0.02 0.00 0.00 0.00 0.00 36.38 34.14 2dyp s VAL 27 CO 0.11 0.51 0.33 -0.94 0.00 0.00 0.00 175.10 175.11 2dyp s SER 28 N 1.05 1.00 -0.44 3.32 1.04 -0.71 0.23 113.70 119.18 2dyp s SER 28 Ca -0.01 -1.54 0.00 0.00 0.48 0.00 0.00 55.95 54.88 2dyp s SER 28 Cb -0.15 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.53 2dyp s SER 28 CO -0.05 -1.10 0.00 0.61 0.98 0.00 0.00 173.24 173.68 2dyp n GLY 29 N -0.52 0.51 3.93 7.32 0.00 0.24 -0.19 105.19 116.49 2dyp n GLY 29 Ca 0.04 -0.07 -0.26 0.00 0.00 0.00 0.00 46.02 45.73 2dyp n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2dyp s PHE 30 N -1.60 3.49 -0.28 1.61 -0.71 -1.10 -4.18 117.98 115.22 2dyp s PHE 30 Ca 0.00 0.44 -0.18 0.00 -1.04 0.00 0.00 56.93 56.15 2dyp s PHE 30 Cb 0.00 -1.95 0.08 0.00 -1.21 0.00 0.00 43.02 39.94 2dyp s PHE 30 CO 0.00 0.19 0.73 -1.58 -1.34 0.00 0.00 175.22 173.22 2dyp s HIS 31 N -2.16 -0.95 0.62 3.49 2.46 -0.67 -1.24 115.29 116.84 2dyp s HIS 31 Ca 0.41 1.98 -0.10 0.00 0.47 0.00 0.00 55.06 57.82 2dyp s HIS 31 Cb -0.10 0.53 0.15 0.00 -0.13 0.00 0.00 32.58 33.03 2dyp s HIS 31 CO 0.33 -0.47 0.60 -0.35 -2.47 0.00 0.00 174.74 172.37 2dyp n PRO 32 N 3.87 -1.85 0.21 2.88 -0.04 -1.26 -0.78 135.00 138.02 2dyp n PRO 32 Ca -0.18 -0.94 0.09 0.00 -0.04 0.00 0.00 63.50 62.42 2dyp n PRO 32 Cb 0.58 -0.83 0.29 0.00 -0.04 0.00 0.00 33.50 33.50 2dyp n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2dyp h SER 33 N -1.72 0.00 -2.23 3.54 4.64 -2.00 -3.45 113.55 112.33 2dyp h SER 33 Ca -0.22 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.52 2dyp h SER 33 Cb 0.65 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.77 2dyp h SER 33 CO 0.14 0.22 1.05 0.47 -0.87 0.00 0.00 176.83 177.84 2dyp n ASP 34 N -3.24 3.59 -3.46 4.97 8.00 -1.26 -4.93 116.55 120.22 2dyp n ASP 34 Ca 0.02 0.99 -0.14 0.00 0.71 0.00 0.00 54.79 56.37 2dyp n ASP 34 Cb 0.53 -1.44 -0.04 0.00 -0.02 0.00 0.00 41.12 40.15 2dyp n ASP 34 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 2dyp s ILE 35 N 3.08 0.00 -0.05 0.53 2.07 -1.26 -4.68 121.20 120.89 2dyp s ILE 35 Ca 0.87 0.00 0.04 0.00 -1.41 0.00 0.00 60.65 60.15 2dyp s ILE 35 Cb -0.61 -1.00 -0.00 0.00 0.13 0.00 0.00 42.46 40.98 2dyp s ILE 35 CO 0.44 0.00 -0.17 -0.70 -1.91 0.00 0.00 174.94 172.60 2dyp s GLU 36 N -2.68 1.83 -0.04 3.50 2.56 -0.83 -5.00 118.70 118.04 2dyp s GLU 36 Ca -0.04 -0.59 -0.01 0.00 0.00 0.00 0.00 54.97 54.33 2dyp s GLU 36 Cb -0.01 -1.56 0.03 0.00 2.00 0.00 0.00 34.13 34.59 2dyp s GLU 36 CO -0.04 0.21 0.02 0.08 -0.56 0.00 0.00 175.26 174.98 2dyp s VAL 37 N 0.14 0.07 0.03 3.70 1.01 -1.26 -1.08 120.40 123.02 2dyp s VAL 37 Ca -0.06 0.22 0.07 0.00 0.00 0.00 0.00 61.98 62.21 2dyp s VAL 37 Cb -0.12 -0.23 -0.02 0.00 0.00 0.00 0.00 36.38 36.00 2dyp s VAL 37 CO 0.03 0.16 -0.21 -1.81 0.00 0.00 0.00 175.10 173.27 2dyp s ASP 38 N 1.51 2.50 -0.16 3.32 1.01 0.78 -4.95 116.67 120.68 2dyp s ASP 38 Ca -0.03 -0.49 -0.07 0.00 0.71 0.00 0.00 52.55 52.66 2dyp s ASP 38 Cb -0.13 -0.23 -0.04 0.00 1.01 0.00 0.00 42.92 43.53 2dyp s ASP 38 CO -0.03 0.19 0.09 -0.76 0.21 0.00 0.00 175.17 174.87 2dyp s LEU 39 N -1.02 4.02 0.03 1.23 1.43 -1.26 -0.18 118.68 122.93 2dyp s LEU 39 Ca 0.08 0.21 0.08 0.00 -1.03 0.00 0.00 54.13 53.47 2dyp s LEU 39 Cb -0.09 -2.01 -0.02 0.00 0.03 0.00 0.00 46.19 44.10 2dyp s LEU 39 CO 0.01 0.25 -0.23 -0.76 0.23 0.00 0.00 176.35 175.85 2dyp s LEU 40 N -0.06 2.14 -0.26 1.79 1.43 0.17 -0.71 118.68 123.18 2dyp s LEU 40 Ca 0.08 -0.52 0.02 0.00 -1.03 0.00 0.00 54.13 52.68 2dyp s LEU 40 Cb -0.12 -1.13 0.05 0.00 0.03 0.00 0.00 46.19 45.03 2dyp s LEU 40 CO 0.01 0.22 -0.10 -0.75 0.23 0.00 0.00 176.35 175.96 2dyp s LYS 41 N -1.07 2.34 -1.34 1.70 2.20 -0.28 -1.05 119.74 122.23 2dyp s LYS 41 Ca 0.09 -1.29 -0.03 0.00 -0.36 0.00 0.00 55.97 54.39 2dyp s LYS 41 Cb -0.09 -2.91 0.02 0.00 -1.51 0.00 0.00 37.83 33.34 2dyp s LYS 41 CO 0.01 -0.54 0.21 0.09 -0.36 0.00 0.00 175.35 174.76 2dyp n ASN 42 N 4.47 -4.69 0.00 1.43 3.02 0.20 -1.29 115.26 118.41 2dyp n ASN 42 Ca -0.14 -0.05 0.00 0.00 -0.03 0.00 0.00 54.58 54.35 2dyp n ASN 42 Cb 0.43 -3.90 0.00 0.00 -0.61 0.00 0.00 39.78 35.70 2dyp n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2dyp n GLY 43 N -1.06 2.56 3.68 7.41 0.00 -1.26 -5.04 105.19 111.48 2dyp n GLY 43 Ca -0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.49 2dyp n GLY 43 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2dyp s GLU 44 N -0.84 4.25 0.30 1.61 2.12 -0.41 -5.01 118.70 120.71 2dyp s GLU 44 Ca 0.00 0.57 -0.29 0.00 0.36 0.00 0.00 54.97 55.61 2dyp s GLU 44 Cb 0.00 -3.54 -0.10 0.00 0.26 0.00 0.00 34.13 30.75 2dyp s GLU 44 CO 0.00 -0.12 1.31 0.50 -0.54 0.00 0.00 175.26 176.41 2dyp s ARG 45 N 1.52 4.37 -0.25 4.30 3.52 -1.26 -1.13 118.95 130.02 2dyp s ARG 45 Ca 0.28 2.17 -0.10 0.00 -0.13 0.00 0.00 55.73 57.96 2dyp s ARG 45 Cb -0.16 -3.10 -0.04 0.00 -1.56 0.00 0.00 34.95 30.08 2dyp s ARG 45 CO 0.11 -0.20 0.14 0.42 -0.81 0.00 0.00 175.30 174.97 2dyp s ILE 46 N -0.81 5.06 0.03 4.11 1.01 0.11 -4.92 121.20 125.79 2dyp s ILE 46 Ca 0.51 0.08 -0.07 0.00 0.00 0.00 0.00 60.65 61.17 2dyp s ILE 46 Cb -0.39 -3.38 -0.30 0.00 0.01 0.00 0.00 42.46 38.40 2dyp s ILE 46 CO 0.49 0.31 0.98 -0.33 0.00 0.00 0.00 174.94 176.39 2dyp h GLU 47 N 7.96 0.35 -6.22 2.79 4.39 -1.95 -3.42 114.58 118.48 2dyp h GLU 47 Ca -0.37 -0.59 -0.57 0.00 0.34 0.00 0.00 59.36 58.18 2dyp h GLU 47 Cb 1.18 0.22 -0.09 0.00 -0.10 0.00 0.00 28.75 29.96 2dyp h GLU 47 CO 0.60 1.26 1.28 -1.59 -1.16 0.00 0.00 179.01 179.40 2dyp s LYS 48 N -2.62 3.38 0.05 2.33 -2.85 -1.26 -4.91 119.74 113.86 2dyp s LYS 48 Ca -0.08 -0.68 -0.00 0.00 -1.00 0.00 0.00 55.97 54.21 2dyp s LYS 48 Cb 0.06 -4.79 -0.04 0.00 -2.06 0.00 0.00 37.83 31.00 2dyp s LYS 48 CO 0.89 -2.21 -0.04 0.14 0.10 0.00 0.00 175.35 174.24 2dyp s VAL 49 N 5.46 0.30 0.14 1.79 -7.23 -1.26 -4.82 120.40 114.78 2dyp s VAL 49 Ca 0.42 -1.67 0.11 0.00 -1.81 0.00 0.00 61.98 59.02 2dyp s VAL 49 Cb -0.04 -1.33 -0.04 0.00 0.56 0.00 0.00 36.38 35.53 2dyp s VAL 49 CO 0.02 -0.88 -0.25 -1.61 -0.31 0.00 0.00 175.10 172.07 2dyp s GLU 50 N -3.45 1.39 0.01 4.82 0.41 -0.03 -4.98 118.70 116.87 2dyp s GLU 50 Ca 0.04 -1.37 0.00 0.00 -0.41 0.00 0.00 54.97 53.23 2dyp s GLU 50 Cb 0.04 -1.81 -0.01 0.00 -1.78 0.00 0.00 34.13 30.56 2dyp s GLU 50 CO -0.07 0.42 -0.03 -3.38 -0.49 0.00 0.00 175.26 171.71 2dyp s HIS 51 N -1.23 0.25 1.21 1.61 -3.43 -1.26 -0.41 115.29 112.03 2dyp s HIS 51 Ca 0.15 -0.32 -0.19 0.00 -0.80 0.00 0.00 55.06 53.90 2dyp s HIS 51 Cb -0.09 -0.17 0.29 0.00 -1.43 0.00 0.00 32.58 31.18 2dyp s HIS 51 CO 0.07 -0.10 1.10 -1.54 -2.00 0.00 0.00 174.74 172.26 2dyp s SER 52 N -0.89 0.84 0.35 7.38 1.04 0.41 -4.97 113.70 117.85 2dyp s SER 52 Ca -0.09 0.67 -0.26 0.00 0.48 0.00 0.00 55.95 56.76 2dyp s SER 52 Cb -0.06 -0.94 -0.09 0.00 0.10 0.00 0.00 66.02 65.02 2dyp s SER 52 CO -0.00 -4.17 1.04 -1.81 0.98 0.00 0.00 173.24 169.27 2dyp s ASP 53 N -3.82 7.02 0.34 7.02 1.01 -1.26 -4.74 116.67 122.24 2dyp s ASP 53 Ca 0.71 2.06 -0.29 0.00 0.71 0.00 0.00 52.55 55.74 2dyp s ASP 53 Cb -0.10 -2.60 -0.12 0.00 1.01 0.00 0.00 42.92 41.11 2dyp s ASP 53 CO 0.56 -0.31 1.46 -0.11 0.21 0.00 0.00 175.17 176.98 2dyp n LEU 54 N 0.41 4.28 0.00 1.23 7.94 -1.26 -4.85 117.00 124.75 2dyp n LEU 54 Ca 0.03 1.20 -0.03 0.00 -1.11 0.00 0.00 56.01 56.10 2dyp n LEU 54 Cb 0.48 -1.57 -0.01 0.00 0.53 0.00 0.00 43.42 42.86 2dyp n LEU 54 CO 0.47 -0.04 0.02 -0.24 -1.11 0.00 0.00 177.39 176.49 2dyp n SER 55 N 1.00 -0.22 -3.52 1.96 2.88 -1.07 -5.03 113.62 109.62 2dyp n SER 55 Ca 0.04 -1.34 -0.10 0.00 -1.33 0.00 0.00 58.87 56.15 2dyp n SER 55 Cb 0.37 0.42 -0.02 0.00 -0.75 0.00 0.00 64.21 64.23 2dyp n SER 55 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 2dyp s PHE 56 N -4.19 -0.41 0.52 0.66 -0.12 -1.26 -1.91 117.98 111.27 2dyp s PHE 56 Ca 0.05 0.19 -0.02 0.00 -0.05 0.00 0.00 56.93 57.10 2dyp s PHE 56 Cb -0.00 0.58 0.01 0.00 -0.63 0.00 0.00 43.02 42.97 2dyp s PHE 56 CO 0.04 -0.79 0.77 -1.12 -0.05 0.00 0.00 175.22 174.07 2dyp s SER 57 N -2.70 5.64 0.00 1.98 0.01 -0.04 -4.93 113.70 113.67 2dyp s SER 57 Ca 0.04 0.40 0.00 0.00 1.31 0.00 0.00 55.95 57.70 2dyp s SER 57 Cb -0.02 -1.49 0.00 0.00 0.21 0.00 0.00 66.02 64.72 2dyp s SER 57 CO -0.08 -0.91 0.41 1.17 0.41 0.00 0.00 173.24 174.23 2dyp n LYS 58 N -2.31 0.81 -0.07 12.44 4.81 -1.26 0.12 118.16 132.69 2dyp n LYS 58 Ca 0.03 0.00 0.08 0.00 -0.87 0.00 0.00 58.31 57.55 2dyp n LYS 58 Cb 0.58 -1.40 0.11 0.00 0.02 0.00 0.00 35.03 34.34 2dyp n LYS 58 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 2dyp n ASP 59 N 0.09 2.59 0.00 3.14 5.75 -1.26 -4.96 116.55 121.90 2dyp n ASP 59 Ca 0.00 -1.75 0.00 0.00 -0.01 0.00 0.00 54.79 53.03 2dyp n ASP 59 Cb 0.20 -0.10 0.00 0.00 -1.03 0.00 0.00 41.12 40.19 2dyp n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 2dyp n TRP 60 N 0.88 0.00 -2.04 2.11 7.02 0.33 -5.00 117.44 120.74 2dyp n TRP 60 Ca 0.11 0.00 -0.37 0.00 -1.02 0.00 0.00 57.50 56.22 2dyp n TRP 60 Cb 0.42 -0.17 0.02 0.00 -2.42 0.00 0.00 31.31 29.15 2dyp n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2dyp s SER 61 N -2.19 5.64 0.45 -0.99 1.04 -1.25 -4.61 113.70 111.77 2dyp s SER 61 Ca 0.00 2.48 -0.07 0.00 0.48 0.00 0.00 55.95 58.84 2dyp s SER 61 Cb 0.00 -2.61 -0.05 0.00 0.10 0.00 0.00 66.02 63.46 2dyp s SER 61 CO 0.00 -1.30 0.77 -0.36 0.98 0.00 0.00 173.24 173.34 2dyp s PHE 62 N -1.47 3.53 -0.10 5.02 0.08 -0.37 -0.86 117.98 123.81 2dyp s PHE 62 Ca 0.69 0.90 -0.18 0.00 0.12 0.00 0.00 56.93 58.46 2dyp s PHE 62 Cb -0.33 -2.35 0.04 0.00 -0.57 0.00 0.00 43.02 39.81 2dyp s PHE 62 CO 0.39 -0.20 0.44 1.52 -0.10 0.00 0.00 175.22 177.27 2dyp s TYR 63 N -2.58 -0.41 0.05 0.36 -0.85 -0.80 -0.59 117.35 112.52 2dyp s TYR 63 Ca 0.49 0.87 -0.05 0.00 -0.52 0.00 0.00 57.07 57.86 2dyp s TYR 63 Cb -0.10 0.18 -0.01 0.00 0.38 0.00 0.00 41.96 42.40 2dyp s TYR 63 CO 0.39 -0.35 0.09 -0.51 -1.52 0.00 0.00 175.55 173.65 2dyp s LEU 64 N -0.53 1.87 -0.08 -3.49 1.43 0.13 -2.58 118.68 115.43 2dyp s LEU 64 Ca -0.06 -0.62 0.03 0.00 -1.03 0.00 0.00 54.13 52.45 2dyp s LEU 64 Cb -0.03 0.58 0.01 0.00 0.03 0.00 0.00 46.19 46.78 2dyp s LEU 64 CO 0.03 -0.55 -0.18 -0.22 0.23 0.00 0.00 176.35 175.66 2dyp s LEU 65 N -2.32 1.88 -0.04 1.79 2.96 -1.26 -1.05 118.68 120.63 2dyp s LEU 65 Ca -0.02 -0.43 0.05 0.00 -0.22 0.00 0.00 54.13 53.51 2dyp s LEU 65 Cb 0.01 -1.13 -0.02 0.00 0.50 0.00 0.00 46.19 45.55 2dyp s LEU 65 CO -0.06 0.10 -0.20 -0.31 -1.32 0.00 0.00 176.35 174.56 2dyp s TYR 66 N 0.50 2.54 0.19 5.38 1.51 -0.37 -0.45 117.35 126.65 2dyp s TYR 66 Ca -0.17 -0.35 -0.13 0.00 -1.01 0.00 0.00 57.07 55.41 2dyp s TYR 66 Cb -0.17 -1.59 0.01 0.00 -0.11 0.00 0.00 41.96 40.10 2dyp s TYR 66 CO 0.06 0.04 0.41 1.52 -1.11 0.00 0.00 175.55 176.48 2dyp s TYR 67 N -0.58 0.19 -0.25 2.71 1.13 0.46 0.64 117.35 121.64 2dyp s TYR 67 Ca 0.08 -0.54 -0.26 0.00 -1.41 0.00 0.00 57.07 54.94 2dyp s TYR 67 Cb -0.11 0.17 0.10 0.00 -1.10 0.00 0.00 41.96 41.01 2dyp s TYR 67 CO 0.00 -0.85 0.86 -0.08 -2.51 0.00 0.00 175.55 172.98 2dyp s THR 68 N -3.94 0.00 0.41 -3.49 -1.32 -0.86 -0.85 115.64 105.59 2dyp s THR 68 Ca 0.15 0.00 -0.26 0.00 -1.21 0.00 0.00 61.69 60.37 2dyp s THR 68 Cb 0.01 -1.00 -0.09 0.00 -1.51 0.00 0.00 72.50 69.91 2dyp s THR 68 CO 0.01 0.00 1.36 -1.61 -2.21 0.00 0.00 174.62 172.17 2dyp s GLU 69 N 0.11 3.95 0.18 7.08 2.02 -1.26 -1.17 118.70 129.61 2dyp s GLU 69 Ca 0.00 2.29 -0.20 0.00 0.02 0.00 0.00 54.97 57.08 2dyp s GLU 69 Cb -0.04 -2.79 0.05 0.00 0.10 0.00 0.00 34.13 31.44 2dyp s GLU 69 CO -0.01 -0.56 0.58 -0.59 0.02 0.00 0.00 175.26 174.69 2dyp s PHE 70 N -1.21 -0.34 -0.17 1.61 -0.71 0.40 -4.84 117.98 112.72 2dyp s PHE 70 Ca 0.57 0.04 0.01 0.00 -1.04 0.00 0.00 56.93 56.50 2dyp s PHE 70 Cb -0.41 0.50 0.03 0.00 -1.21 0.00 0.00 43.02 41.93 2dyp s PHE 70 CO 0.53 -0.91 -0.15 0.99 -1.34 0.00 0.00 175.22 174.34 2dyp s THR 71 N -3.81 1.78 0.32 -4.49 2.01 -1.26 0.42 115.64 110.61 2dyp s THR 71 Ca 0.05 -0.86 -0.28 0.00 0.31 0.00 0.00 61.69 60.91 2dyp s THR 71 Cb -0.01 -1.69 -0.13 0.00 0.01 0.00 0.00 72.50 70.67 2dyp s THR 71 CO -0.07 0.40 1.15 -2.65 -0.69 0.00 0.00 174.62 172.76 2dyp n PRO 72 N 4.69 1.74 -4.35 4.92 -0.02 -1.26 -4.80 135.00 135.93 2dyp n PRO 72 Ca -0.18 0.61 -0.21 0.00 -2.02 0.00 0.00 63.50 61.71 2dyp n PRO 72 Cb 0.49 -2.09 -0.11 0.00 -0.02 0.00 0.00 33.50 31.77 2dyp n PRO 72 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2dyp s THR 73 N -1.09 1.84 -0.60 3.45 2.01 -1.26 -2.05 115.64 117.94 2dyp s THR 73 Ca 0.57 -2.05 0.25 0.00 0.31 0.00 0.00 61.69 60.77 2dyp s THR 73 Cb -0.63 -1.94 0.17 0.00 0.01 0.00 0.00 72.50 70.12 2dyp s THR 73 CO 0.61 -0.41 1.50 -0.08 -0.69 0.00 0.00 174.62 175.55 2dyp h GLU 74 N 2.96 0.00 0.00 4.92 4.22 -1.99 -3.36 114.58 121.33 2dyp h GLU 74 Ca -0.41 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.03 2dyp h GLU 74 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2dyp h GLU 74 CO 0.55 0.00 -0.74 1.63 -2.18 0.00 0.00 179.01 178.28 2dyp n LYS 75 N -2.37 1.92 -2.62 1.92 4.76 -1.26 -5.02 118.16 115.48 2dyp n LYS 75 Ca 0.04 -0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.05 2dyp n LYS 75 Cb 0.46 -0.87 -0.03 0.00 -1.84 0.00 0.00 35.03 32.75 2dyp n LYS 75 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2dyp s ASP 76 N -1.75 7.24 -0.22 4.39 1.01 -1.26 -5.02 116.67 121.05 2dyp s ASP 76 Ca -0.00 1.70 -0.09 0.00 0.71 0.00 0.00 52.55 54.87 2dyp s ASP 76 Cb 0.00 -2.57 -0.05 0.00 1.01 0.00 0.00 42.92 41.32 2dyp s ASP 76 CO 0.01 -0.39 0.13 -1.61 0.21 0.00 0.00 175.17 173.52 2dyp s GLU 77 N 1.47 4.02 0.09 8.23 0.41 -1.26 -4.65 118.70 127.01 2dyp s GLU 77 Ca 0.53 -0.30 0.06 0.00 -0.41 0.00 0.00 54.97 54.84 2dyp s GLU 77 Cb -0.22 -3.44 -0.04 0.00 -1.78 0.00 0.00 34.13 28.65 2dyp s GLU 77 CO 0.25 0.11 -0.05 0.71 -0.49 0.00 0.00 175.26 175.78 2dyp s TYR 78 N 0.90 2.87 0.17 1.61 2.02 -1.26 0.58 117.35 124.24 2dyp s TYR 78 Ca 0.06 -0.09 -0.18 0.00 -0.37 0.00 0.00 57.07 56.50 2dyp s TYR 78 Cb -0.13 -1.49 0.03 0.00 -0.40 0.00 0.00 41.96 39.97 2dyp s TYR 78 CO 0.03 0.45 0.50 0.00 -1.57 0.00 0.00 175.55 174.96 2dyp s ALA 79 N -1.26 -1.00 -0.05 3.71 0.00 -0.22 -0.27 121.76 122.67 2dyp s ALA 79 Ca 0.23 -0.10 0.05 0.00 0.00 0.00 0.00 51.96 52.14 2dyp s ALA 79 Cb -0.11 0.82 -0.01 0.00 0.00 0.00 0.00 23.12 23.82 2dyp s ALA 79 CO 0.16 -0.76 -0.21 0.00 0.00 0.00 0.00 175.76 174.94 2dyp s ARG 81 N -0.01 2.73 -0.03 0.00 3.52 0.74 -1.83 118.95 124.06 2dyp s ARG 81 Ca -0.05 -0.88 0.05 0.00 -0.13 0.00 0.00 55.73 54.72 2dyp s ARG 81 Cb -0.13 -2.19 -0.01 0.00 -1.56 0.00 0.00 34.95 31.06 2dyp s ARG 81 CO 0.03 0.29 -0.17 0.08 -0.81 0.00 0.00 175.30 174.72 2dyp s VAL 82 N 0.07 1.36 -0.03 7.11 1.01 -0.07 -0.16 120.40 129.70 2dyp s VAL 82 Ca -0.10 -0.71 0.05 0.00 0.00 0.00 0.00 61.98 61.22 2dyp s VAL 82 Cb -0.16 -1.16 -0.01 0.00 0.00 0.00 0.00 36.38 35.06 2dyp s VAL 82 CO 0.06 0.39 -0.17 0.21 0.00 0.00 0.00 175.10 175.59 2dyp s ASN 83 N -0.15 2.09 0.03 3.32 3.04 -0.24 -0.67 114.94 122.36 2dyp s ASN 83 Ca 0.01 -0.33 -0.28 0.00 0.04 0.00 0.00 52.86 52.30 2dyp s ASN 83 Cb -0.09 -0.38 0.07 0.00 -1.54 0.00 0.00 41.25 39.30 2dyp s ASN 83 CO 0.01 0.19 0.65 -2.28 -3.04 0.00 0.00 177.10 172.63 2dyp s HIS 84 N -0.21 -0.61 -0.26 0.43 2.46 -1.26 -1.97 115.29 113.86 2dyp s HIS 84 Ca 0.02 0.81 0.17 0.00 0.47 0.00 0.00 55.06 56.53 2dyp s HIS 84 Cb -0.09 0.47 0.91 0.00 -0.13 0.00 0.00 32.58 33.74 2dyp s HIS 84 CO 0.01 -0.70 1.48 1.55 -2.47 0.00 0.00 174.74 174.61 2dyp n VAL 85 N 0.40 1.07 1.05 0.89 3.14 -1.26 -1.14 118.33 122.49 2dyp n VAL 85 Ca -0.18 0.70 0.12 0.00 -2.96 0.00 0.00 64.34 62.03 2dyp n VAL 85 Cb 0.60 -1.70 0.33 0.00 -1.06 0.00 0.00 33.84 32.01 2dyp n VAL 85 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 2dyp n THR 86 N -2.10 0.00 -4.01 1.55 -2.24 -1.26 -4.88 114.28 101.35 2dyp n THR 86 Ca -0.01 -0.02 -0.35 0.00 -2.27 0.00 0.00 64.05 61.40 2dyp n THR 86 Cb 0.09 0.16 -0.09 0.00 -2.10 0.00 0.00 70.33 68.40 2dyp n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2dyp s LEU 87 N -2.90 3.96 0.32 3.22 1.43 -0.29 -4.98 118.68 119.44 2dyp s LEU 87 Ca 0.14 0.21 0.14 0.00 -1.03 0.00 0.00 54.13 53.58 2dyp s LEU 87 Cb 0.18 -1.98 0.51 0.00 0.03 0.00 0.00 46.19 44.94 2dyp s LEU 87 CO 0.64 0.27 1.68 0.77 0.23 0.00 0.00 176.35 179.94 2dyp h SER 88 N 5.99 0.00 -5.15 2.29 4.64 -1.90 -3.45 113.55 115.97 2dyp h SER 88 Ca -0.44 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.79 2dyp h SER 88 Cb 1.18 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.14 2dyp h SER 88 CO 0.65 0.51 -0.35 0.00 -0.87 0.00 0.00 176.83 176.77 2dyp s GLN 89 N -3.68 0.86 0.52 4.77 -2.07 -1.26 -5.14 119.66 113.66 2dyp s GLN 89 Ca -0.01 -0.94 -0.22 0.00 -1.82 0.00 0.00 55.36 52.37 2dyp s GLN 89 Cb 0.12 0.35 -0.06 0.00 -1.09 0.00 0.00 33.01 32.33 2dyp s GLN 89 CO 0.73 -0.28 1.28 -0.35 -1.32 0.00 0.00 175.29 175.36 2dyp n PRO 90 N -0.07 1.65 -3.45 9.60 -0.04 -1.26 -4.93 135.00 136.50 2dyp n PRO 90 Ca -0.15 0.60 -0.38 0.00 -0.04 0.00 0.00 63.50 63.53 2dyp n PRO 90 Cb 0.62 -2.47 -0.09 0.00 -0.04 0.00 0.00 33.50 31.52 2dyp n PRO 90 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2dyp s LYS 91 N -2.69 4.05 -0.06 0.54 2.20 0.15 -4.91 119.74 119.02 2dyp s LYS 91 Ca 0.69 -0.01 0.04 0.00 -0.36 0.00 0.00 55.97 56.33 2dyp s LYS 91 Cb -0.44 -3.61 -0.02 0.00 -1.51 0.00 0.00 37.83 32.24 2dyp s LYS 91 CO 0.51 -0.17 -0.16 0.42 -0.36 0.00 0.00 175.35 175.60 2dyp s ILE 92 N 1.73 2.89 -0.16 5.43 1.01 -1.26 -0.89 121.20 129.95 2dyp s ILE 92 Ca 0.14 -0.78 -0.02 0.00 0.00 0.00 0.00 60.65 59.99 2dyp s ILE 92 Cb -0.15 -2.13 0.05 0.00 0.01 0.00 0.00 42.46 40.24 2dyp s ILE 92 CO 0.09 0.58 0.02 -0.69 0.00 0.00 0.00 174.94 174.94 2dyp s VAL 93 N -0.53 0.54 0.64 2.92 1.01 -0.76 -5.00 120.40 119.22 2dyp s VAL 93 Ca 0.07 -0.40 -0.16 0.00 0.00 0.00 0.00 61.98 61.49 2dyp s VAL 93 Cb -0.12 -0.94 -0.01 0.00 0.00 0.00 0.00 36.38 35.32 2dyp s VAL 93 CO 0.01 -0.07 1.14 -0.54 0.00 0.00 0.00 175.10 175.64 2dyp s LYS 94 N 1.87 2.85 -0.23 2.72 1.02 -1.26 -1.95 119.74 124.76 2dyp s LYS 94 Ca 0.01 1.54 -0.18 0.00 0.02 0.00 0.00 55.97 57.35 2dyp s LYS 94 Cb -0.16 -1.94 -0.03 0.00 -0.52 0.00 0.00 37.83 35.18 2dyp s LYS 94 CO -0.07 -1.24 0.53 -0.46 -0.92 0.00 0.00 175.35 173.19 2dyp s TRP 95 N -2.08 3.32 -0.23 3.18 -0.00 0.63 -4.89 118.94 118.87 2dyp s TRP 95 Ca 0.70 0.72 -0.03 0.00 -0.00 0.00 0.00 56.10 57.50 2dyp s TRP 95 Cb -0.23 -2.71 0.01 0.00 -0.00 0.00 0.00 33.47 30.54 2dyp s TRP 95 CO 0.38 -0.20 -0.06 0.34 -0.00 0.00 0.00 176.95 177.41 2dyp s ASP 96 N 1.34 4.20 0.00 5.86 -1.08 -1.26 -4.74 116.67 120.99 2dyp s ASP 96 Ca 0.23 -0.60 0.04 0.00 -0.52 0.00 0.00 52.55 51.70 2dyp s ASP 96 Cb -0.15 -1.69 0.18 0.00 -1.46 0.00 0.00 42.92 39.80 2dyp s ASP 96 CO 0.09 -0.06 1.03 -2.11 0.52 0.00 0.00 175.17 174.63 2dyp n ARG 97 N 4.74 0.03 -0.26 4.34 1.85 -1.26 -1.57 116.66 124.53 2dyp n ARG 97 Ca -0.18 0.33 0.09 0.00 -1.00 0.00 0.00 57.85 57.09 2dyp n ARG 97 Cb 0.49 -1.50 0.24 0.00 -1.05 0.00 0.00 32.46 30.65 2dyp n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2dyp n ASP 98 N -1.38 2.87 0.00 2.89 8.00 -1.26 -4.79 116.55 122.88 2dyp n ASP 98 Ca 0.01 -1.99 0.00 0.00 0.71 0.00 0.00 54.79 53.53 2dyp n ASP 98 Cb 0.04 -0.35 0.00 0.00 -0.02 0.00 0.00 41.12 40.79 2dyp n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04