#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dic s SER 2 N 0.00 4.12 0.30 1.61 1.04 -1.26 -4.91 113.70 114.60 2dic s SER 2 Ca 0.00 0.45 0.08 0.00 0.48 0.00 0.00 55.95 56.96 2dic s SER 2 Cb 0.00 -2.53 -0.04 0.00 0.10 0.00 0.00 66.02 63.55 2dic s SER 2 CO 0.00 -3.47 0.11 -0.94 0.98 0.00 0.00 173.24 169.92 2dic s SER 3 N 11.36 4.82 1.39 7.02 1.04 -1.26 -5.00 113.70 133.07 2dic s SER 3 Ca 0.94 -0.63 0.00 0.00 0.48 0.00 0.00 55.95 56.74 2dic s SER 3 Cb -0.14 -0.89 0.00 0.00 0.10 0.00 0.00 66.02 65.08 2dic s SER 3 CO 0.15 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 174.82 2dic n GLY 4 N -1.09 3.46 2.86 7.32 0.00 -1.26 -4.53 105.19 111.95 2dic n GLY 4 Ca -0.05 0.04 -0.15 0.00 0.00 0.00 0.00 46.02 45.86 2dic n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dic s SER 5 N -4.00 0.30 0.14 1.61 0.01 -1.26 -5.16 113.70 105.34 2dic s SER 5 Ca 0.00 0.27 0.02 0.00 1.31 0.00 0.00 55.95 57.55 2dic s SER 5 Cb 0.00 0.17 -0.04 0.00 0.21 0.00 0.00 66.02 66.36 2dic s SER 5 CO 0.00 -0.19 -0.03 -0.44 0.41 0.00 0.00 173.24 173.00 2dic s SER 6 N 1.64 1.14 0.00 2.44 0.01 -1.26 -4.92 113.70 112.74 2dic s SER 6 Ca -0.04 -1.10 0.00 0.00 1.31 0.00 0.00 55.95 56.12 2dic s SER 6 Cb -0.12 0.12 0.00 0.00 0.21 0.00 0.00 66.02 66.23 2dic s SER 6 CO -0.05 -0.53 0.00 0.61 0.41 0.00 0.00 173.24 173.68 2dic n GLY 7 N -0.15 3.63 6.27 3.44 0.00 -1.26 -5.08 105.19 112.04 2dic n GLY 7 Ca -0.09 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.02 2dic n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dic n GLY 8 N 0.00 -1.24 3.77 -0.02 0.00 -1.26 -4.89 105.19 101.55 2dic n GLY 8 Ca 0.00 -1.33 -0.34 0.00 0.00 0.00 0.00 46.02 44.35 2dic n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dic s GLN 10 N -3.80 1.33 0.00 0.00 -1.52 -1.12 -4.95 119.66 109.62 2dic s GLN 10 Ca 0.69 -1.94 0.15 0.00 -1.95 0.00 0.00 55.36 52.32 2dic s GLN 10 Cb -0.22 -2.56 0.86 0.00 -0.22 0.00 0.00 33.01 30.86 2dic s GLN 10 CO 0.36 -1.09 1.38 -0.35 -0.25 0.00 0.00 175.29 175.34 2dic n PRO 11 N 3.78 0.37 -0.02 2.91 -0.04 -1.26 -2.42 135.00 138.31 2dic n PRO 11 Ca 0.05 0.06 -0.12 0.00 -0.04 0.00 0.00 63.50 63.46 2dic n PRO 11 Cb 0.36 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.18 2dic n PRO 11 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2dic n SER 12 N -1.13 1.14 0.32 3.54 3.41 -1.26 -3.69 113.62 115.95 2dic n SER 12 Ca 0.10 0.33 0.21 0.00 -0.26 0.00 0.00 58.87 59.24 2dic n SER 12 Cb 0.08 -0.19 1.05 0.00 -0.26 0.00 0.00 64.21 64.90 2dic n SER 12 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2dic h ARG 13 N 0.02 0.00 -7.30 4.33 2.47 -1.81 -3.43 114.38 108.65 2dic h ARG 13 Ca -0.34 0.00 -0.50 0.00 -1.26 0.00 0.00 59.98 57.87 2dic h ARG 13 Cb 2.03 0.00 0.07 0.00 -1.65 0.00 0.00 29.97 30.42 2dic h ARG 13 CO 0.07 0.00 0.39 0.08 0.56 0.00 0.00 179.97 181.07 2dic s VAL 14 N -3.99 4.27 0.02 2.04 1.01 -1.25 -4.70 120.40 117.80 2dic s VAL 14 Ca -0.03 0.84 -0.12 0.00 0.00 0.00 0.00 61.98 62.67 2dic s VAL 14 Cb 0.12 -3.58 0.01 0.00 0.00 0.00 0.00 36.38 32.93 2dic s VAL 14 CO 0.45 -0.87 0.26 0.00 0.00 0.00 0.00 175.10 174.94 2dic s GLN 15 N -4.79 0.69 -0.04 2.72 -2.07 -0.91 -4.82 119.66 110.44 2dic s GLN 15 Ca 0.58 -0.42 -0.01 0.00 -1.82 0.00 0.00 55.36 53.70 2dic s GLN 15 Cb -0.13 0.30 0.03 0.00 -1.09 0.00 0.00 33.01 32.12 2dic s GLN 15 CO 0.48 -0.20 0.03 0.00 -1.32 0.00 0.00 175.29 174.28 2dic s ALA 16 N -1.98 0.29 -0.02 2.60 0.00 -1.26 -2.00 121.76 119.38 2dic s ALA 16 Ca -0.09 0.17 -0.13 0.00 0.00 0.00 0.00 51.96 51.90 2dic s ALA 16 Cb -0.03 -0.46 0.02 0.00 0.00 0.00 0.00 23.12 22.65 2dic s ALA 16 CO -0.00 -0.26 0.28 1.14 0.00 0.00 0.00 175.76 176.92 2dic s GLN 17 N 1.52 0.61 0.00 0.00 -2.07 -0.73 -5.01 119.66 113.98 2dic s GLN 17 Ca -0.03 -0.16 0.00 0.00 -1.82 0.00 0.00 55.36 53.35 2dic s GLN 17 Cb -0.13 0.27 0.00 0.00 -1.09 0.00 0.00 33.01 32.06 2dic s GLN 17 CO -0.03 -0.16 0.00 0.41 -1.32 0.00 0.00 175.29 174.19 2dic n GLY 18 N 1.46 0.25 0.19 2.60 0.00 -1.26 -0.23 105.19 108.19 2dic n GLY 18 Ca -0.21 -1.77 -0.13 0.00 0.00 0.00 0.00 46.02 43.91 2dic n GLY 18 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dic h PRO 19 N 5.32 0.59 0.00 1.61 0.13 -1.86 -1.63 132.00 136.16 2dic h PRO 19 Ca 0.00 -0.31 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 2dic h PRO 19 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 2dic h PRO 19 CO 0.00 0.91 0.11 0.41 -0.23 0.00 0.00 178.00 179.20 2dic n GLY 20 N 0.17 -0.68 0.03 1.56 0.00 -0.03 0.38 105.19 106.61 2dic n GLY 20 Ca -0.05 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2dic n GLY 20 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dic n LEU 21 N -1.99 0.00 -0.09 0.99 4.77 -1.12 -4.73 117.00 114.83 2dic n LEU 21 Ca -0.01 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.84 2dic n LEU 21 Cb 0.14 0.12 -0.07 0.00 -2.33 0.00 0.00 43.42 41.28 2dic n LEU 21 CO 0.06 0.12 -0.39 0.50 -1.33 0.00 0.00 177.39 176.35 2dic h LYS 22 N 0.00 0.00 -2.84 3.23 3.64 -0.06 -3.42 116.57 117.12 2dic h LYS 22 Ca -0.13 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.13 2dic h LYS 22 Cb 1.04 0.00 -0.21 0.00 -0.41 0.00 0.00 32.23 32.64 2dic h LYS 22 CO 0.01 0.53 -0.22 -2.00 -2.27 0.00 0.00 179.45 175.50 2dic s GLU 23 N -2.27 0.63 0.28 1.90 2.12 0.16 -4.42 118.70 117.09 2dic s GLU 23 Ca -0.21 0.12 0.04 0.00 0.36 0.00 0.00 54.97 55.28 2dic s GLU 23 Cb 0.04 0.29 -0.03 0.00 0.26 0.00 0.00 34.13 34.68 2dic s GLU 23 CO 0.41 -0.15 0.21 0.00 -0.54 0.00 0.00 175.26 175.19 2dic s ALA 24 N -0.75 1.60 0.13 6.30 0.00 -1.21 -4.00 121.76 123.82 2dic s ALA 24 Ca -0.08 -1.89 -0.01 0.00 0.00 0.00 0.00 51.96 49.98 2dic s ALA 24 Cb -0.04 1.41 -0.04 0.00 0.00 0.00 0.00 23.12 24.46 2dic s ALA 24 CO 0.03 -0.62 0.04 -0.06 0.00 0.00 0.00 175.76 175.16 2dic s PHE 25 N -3.75 0.88 -0.03 0.00 0.40 -1.26 -2.65 117.98 111.56 2dic s PHE 25 Ca 0.40 -1.20 -0.30 0.00 -0.60 0.00 0.00 56.93 55.22 2dic s PHE 25 Cb 0.04 -0.50 -0.03 0.00 0.51 0.00 0.00 43.02 43.05 2dic s PHE 25 CO 0.20 -0.48 1.09 0.95 0.70 0.00 0.00 175.22 177.68 2dic s THR 26 N -4.00 4.52 -1.32 0.64 -4.23 0.49 -3.35 115.64 108.39 2dic s THR 26 Ca 0.23 1.81 -0.05 0.00 -1.18 0.00 0.00 61.69 62.50 2dic s THR 26 Cb 0.07 -4.16 0.01 0.00 1.34 0.00 0.00 72.50 69.75 2dic s THR 26 CO 0.01 0.07 0.66 0.59 -0.54 0.00 0.00 174.62 175.42 2dic n ASN 27 N 4.52 -5.65 -4.16 3.99 3.02 -0.42 -4.53 115.26 112.03 2dic n ASN 27 Ca 0.09 -0.31 -0.22 0.00 -0.03 0.00 0.00 54.58 54.10 2dic n ASN 27 Cb 0.48 -4.42 -0.14 0.00 -0.61 0.00 0.00 39.78 35.09 2dic n ASN 27 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2dic s LYS 28 N -5.71 1.14 -0.38 3.52 1.02 -1.21 -5.01 119.74 113.11 2dic s LYS 28 Ca 0.33 -0.70 -0.28 0.00 0.02 0.00 0.00 55.97 55.33 2dic s LYS 28 Cb -0.15 -1.15 -0.01 0.00 -0.52 0.00 0.00 37.83 36.01 2dic s LYS 28 CO 0.41 0.30 1.71 -1.25 -0.92 0.00 0.00 175.35 175.60 2dic s PRO 29 N -0.83 3.33 -0.20 -1.68 0.04 -1.26 -4.38 135.00 130.02 2dic s PRO 29 Ca 0.04 1.23 -0.02 0.00 0.04 0.00 0.00 61.00 62.30 2dic s PRO 29 Cb -0.07 -4.17 0.00 0.00 0.04 0.00 0.00 34.50 30.30 2dic s PRO 29 CO 0.01 -1.87 -0.12 -0.80 0.04 0.00 0.00 177.00 174.26 2dic s ASN 30 N 5.76 3.79 0.36 6.66 0.01 -0.55 -4.98 114.94 125.98 2dic s ASN 30 Ca 0.74 -0.50 0.05 0.00 -0.71 0.00 0.00 52.86 52.44 2dic s ASN 30 Cb -0.19 -1.62 -0.06 0.00 0.41 0.00 0.00 41.25 39.78 2dic s ASN 30 CO 0.32 0.00 0.05 0.68 -1.51 0.00 0.00 177.10 176.64 2dic s VAL 31 N 1.31 1.37 -0.00 1.60 -7.23 -1.26 -0.52 120.40 115.66 2dic s VAL 31 Ca 0.04 -2.00 -0.27 0.00 -1.81 0.00 0.00 61.98 57.94 2dic s VAL 31 Cb -0.14 -2.80 0.06 0.00 0.56 0.00 0.00 36.38 34.07 2dic s VAL 31 CO -0.06 0.00 0.60 0.72 -0.31 0.00 0.00 175.10 176.05 2dic s PHE 32 N -3.12 -0.55 -0.12 2.82 -0.12 -1.23 -0.85 117.98 114.81 2dic s PHE 32 Ca 0.34 0.82 -0.22 0.00 -0.05 0.00 0.00 56.93 57.82 2dic s PHE 32 Cb 0.08 0.38 -0.03 0.00 -0.63 0.00 0.00 43.02 42.82 2dic s PHE 32 CO 0.16 -0.62 0.63 0.99 -0.05 0.00 0.00 175.22 176.33 2dic s THR 33 N -1.74 5.06 -0.28 -4.49 2.01 0.68 -4.04 115.64 112.85 2dic s THR 33 Ca -0.09 1.26 0.03 0.00 0.31 0.00 0.00 61.69 63.21 2dic s THR 33 Cb -0.01 -3.97 0.07 0.00 0.01 0.00 0.00 72.50 68.61 2dic s THR 33 CO 0.05 0.22 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.45 2dic s VAL 34 N 1.15 2.07 -0.16 3.82 1.01 -1.09 -1.78 120.40 125.42 2dic s VAL 34 Ca 0.32 -1.78 -0.21 0.00 0.00 0.00 0.00 61.98 60.32 2dic s VAL 34 Cb -0.16 -2.31 -0.03 0.00 0.00 0.00 0.00 36.38 33.88 2dic s VAL 34 CO 0.14 -0.22 0.63 -0.69 0.00 0.00 0.00 175.10 174.95 2dic s VAL 35 N 1.10 5.05 -0.34 2.92 1.01 -0.85 -1.78 120.40 127.51 2dic s VAL 35 Ca -0.02 1.21 0.10 0.00 0.00 0.00 0.00 61.98 63.27 2dic s VAL 35 Cb -0.19 -3.95 0.45 0.00 0.00 0.00 0.00 36.38 32.69 2dic s VAL 35 CO -0.07 0.17 1.12 0.35 0.00 0.00 0.00 175.10 176.67 2dic n THR 36 N 4.38 2.11 -1.84 3.92 -2.24 -1.26 -2.15 114.28 117.19 2dic n THR 36 Ca -0.02 -4.13 -0.42 0.00 -2.27 0.00 0.00 64.05 57.21 2dic n THR 36 Cb 0.50 -0.61 -0.03 0.00 -2.10 0.00 0.00 70.33 68.10 2dic n THR 36 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dic s ARG 37 N -3.55 4.02 -1.39 -0.78 1.70 -1.26 -3.14 118.95 114.55 2dic s ARG 37 Ca 0.44 2.29 -0.14 0.00 -0.47 0.00 0.00 55.73 57.84 2dic s ARG 37 Cb 0.40 -4.10 0.14 0.00 -0.57 0.00 0.00 34.95 30.82 2dic s ARG 37 CO -0.05 -1.07 0.36 0.41 -1.08 0.00 0.00 175.30 173.87 2dic n GLY 38 N 4.52 -0.26 1.53 3.88 0.00 -1.26 -4.73 105.19 108.88 2dic n GLY 38 Ca 0.20 0.07 -0.10 0.00 0.00 0.00 0.00 46.02 46.19 2dic n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dic n ALA 39 N -3.35 3.89 0.00 4.61 0.00 -1.19 -4.93 120.51 119.54 2dic n ALA 39 Ca 0.01 -1.18 0.00 0.00 0.00 0.00 0.00 53.44 52.28 2dic n ALA 39 Cb 0.39 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.64 2dic n ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dic n GLY 40 N -0.06 0.51 3.52 0.00 0.00 -1.26 -2.77 105.19 105.12 2dic n GLY 40 Ca 0.24 -1.84 -0.41 0.00 0.00 0.00 0.00 46.02 44.00 2dic n GLY 40 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dic s ILE 41 N -2.22 5.19 -1.20 -0.61 1.01 -1.26 -4.88 121.20 117.23 2dic s ILE 41 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 60.65 60.48 2dic s ILE 41 Cb 0.00 -3.85 0.00 0.00 0.01 0.00 0.00 42.46 38.62 2dic s ILE 41 CO 0.00 -0.16 0.00 0.61 0.00 0.00 0.00 174.94 175.39 2dic n GLY 42 N 5.04 -1.36 3.95 6.18 0.00 -1.26 -4.79 105.19 112.95 2dic n GLY 42 Ca -0.10 -0.96 -0.21 0.00 0.00 0.00 0.00 46.02 44.75 2dic n GLY 42 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2dic s GLY 43 N 0.00 1.29 -0.28 -0.02 0.00 -1.26 -4.81 107.32 102.24 2dic s GLY 43 Ca 0.00 -1.29 -0.07 0.00 0.00 0.00 0.00 44.72 43.37 2dic s GLY 43 CO 0.00 -1.29 0.07 -2.27 0.00 0.00 0.00 173.10 169.60 2dic s LEU 44 N -3.99 3.70 -0.41 0.66 2.96 -1.26 0.12 118.68 120.47 2dic s LEU 44 Ca 0.35 -0.60 -0.07 0.00 -0.22 0.00 0.00 54.13 53.60 2dic s LEU 44 Cb -0.09 -1.88 0.08 0.00 0.50 0.00 0.00 46.19 44.81 2dic s LEU 44 CO 0.29 -0.15 0.22 -0.83 -1.32 0.00 0.00 176.35 174.56 2dic s GLY 45 N 1.52 1.95 -0.22 7.98 0.00 0.60 -4.99 107.32 114.16 2dic s GLY 45 Ca 0.03 -2.22 -0.04 0.00 0.00 0.00 0.00 44.72 42.50 2dic s GLY 45 CO 0.02 0.96 -0.03 -0.42 0.00 0.00 0.00 173.10 173.63 2dic s ILE 46 N 1.34 3.50 0.14 0.90 1.01 -1.26 -1.33 121.20 125.51 2dic s ILE 46 Ca 0.03 -0.45 0.03 0.00 0.00 0.00 0.00 60.65 60.26 2dic s ILE 46 Cb -0.23 -2.60 -0.04 0.00 0.01 0.00 0.00 42.46 39.60 2dic s ILE 46 CO 0.00 0.42 -0.05 0.42 0.00 0.00 0.00 174.94 175.73 2dic s THR 47 N 1.45 0.83 -0.03 2.92 -4.23 0.67 -4.99 115.64 112.26 2dic s THR 47 Ca 0.05 -1.99 0.05 0.00 -1.18 0.00 0.00 61.69 58.63 2dic s THR 47 Cb -0.14 -1.90 -0.01 0.00 1.34 0.00 0.00 72.50 71.79 2dic s THR 47 CO -0.02 -0.68 -0.17 -0.69 -0.54 0.00 0.00 174.62 172.51 2dic s VAL 48 N -3.55 1.40 0.01 2.29 1.01 -1.26 0.32 120.40 120.63 2dic s VAL 48 Ca 0.18 -0.73 0.05 0.00 0.00 0.00 0.00 61.98 61.48 2dic s VAL 48 Cb 0.05 -1.18 -0.02 0.00 0.00 0.00 0.00 36.38 35.23 2dic s VAL 48 CO 0.00 0.40 -0.16 -1.61 0.00 0.00 0.00 175.10 173.73 2dic s GLU 49 N -0.22 1.17 0.00 2.72 2.02 -1.06 -4.67 118.70 118.67 2dic s GLU 49 Ca 0.02 -0.67 0.00 0.00 0.02 0.00 0.00 54.97 54.34 2dic s GLU 49 Cb -0.09 -1.17 0.00 0.00 0.10 0.00 0.00 34.13 32.97 2dic s GLU 49 CO 0.01 0.31 0.00 0.41 0.02 0.00 0.00 175.26 176.00 2dic n GLY 50 N 2.34 0.83 0.00 -1.39 0.00 -1.26 -0.97 105.19 104.74 2dic n GLY 50 Ca -0.16 -0.61 0.08 0.00 0.00 0.00 0.00 46.02 45.33 2dic n GLY 50 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dic n PRO 51 N 0.00 0.42 -3.56 1.61 -0.04 -1.26 -4.72 135.00 127.44 2dic n PRO 51 Ca 0.00 0.03 -0.14 0.00 -0.04 0.00 0.00 63.50 63.35 2dic n PRO 51 Cb 0.00 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.90 2dic n PRO 51 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2dic s SER 52 N -2.14 -0.55 -0.18 3.54 1.04 -1.26 -4.93 113.70 109.23 2dic s SER 52 Ca 0.21 0.71 -0.29 0.00 0.48 0.00 0.00 55.95 57.06 2dic s SER 52 Cb 0.11 0.60 -0.03 0.00 0.10 0.00 0.00 66.02 66.80 2dic s SER 52 CO 0.19 -0.43 1.54 -0.70 0.98 0.00 0.00 173.24 174.83 2dic s GLU 53 N -0.83 3.97 0.13 4.02 2.12 -1.26 -4.75 118.70 122.09 2dic s GLU 53 Ca -0.05 1.75 -0.17 0.00 0.36 0.00 0.00 54.97 56.86 2dic s GLU 53 Cb -0.01 -3.97 -0.07 0.00 0.26 0.00 0.00 34.13 30.34 2dic s GLU 53 CO 0.04 -1.08 0.58 -1.12 -0.54 0.00 0.00 175.26 173.15 2dic s SER 54 N 3.54 6.96 -0.78 -1.70 0.01 -1.26 -4.62 113.70 115.84 2dic s SER 54 Ca 0.68 1.21 -0.26 0.00 1.31 0.00 0.00 55.95 58.88 2dic s SER 54 Cb -0.26 -2.34 0.03 0.00 0.21 0.00 0.00 66.02 63.66 2dic s SER 54 CO 0.26 0.16 1.40 -0.54 0.41 0.00 0.00 173.24 174.93 2dic s LYS 55 N -1.62 3.18 0.17 12.44 1.02 -0.77 -4.76 119.74 129.40 2dic s LYS 55 Ca 0.35 -0.31 -0.12 0.00 0.02 0.00 0.00 55.97 55.91 2dic s LYS 55 Cb -0.17 -4.45 -0.07 0.00 -0.52 0.00 0.00 37.83 32.62 2dic s LYS 55 CO 0.19 -2.26 0.52 0.42 -0.92 0.00 0.00 175.35 173.30 2dic s ILE 56 N 6.09 4.93 -0.23 2.17 1.01 -1.26 -2.28 121.20 131.63 2dic s ILE 56 Ca 0.42 0.62 -0.03 0.00 0.00 0.00 0.00 60.65 61.65 2dic s ILE 56 Cb -0.07 -3.68 0.13 0.00 0.01 0.00 0.00 42.46 38.85 2dic s ILE 56 CO 0.10 0.13 0.36 0.20 0.00 0.00 0.00 174.94 175.73 2dic s ASN 57 N -1.98 0.35 0.11 3.58 0.01 0.16 -4.97 114.94 112.20 2dic s ASN 57 Ca 0.41 0.22 -0.18 0.00 -0.71 0.00 0.00 52.86 52.59 2dic s ASN 57 Cb -0.13 1.04 -0.07 0.00 0.41 0.00 0.00 41.25 42.49 2dic s ASN 57 CO 0.20 -0.30 0.59 0.00 -1.51 0.00 0.00 177.10 176.08 2dic s ARG 59 N -1.44 1.65 -0.35 0.00 3.52 0.26 -4.99 118.95 117.60 2dic s ARG 59 Ca 0.33 -1.68 -0.12 0.00 -0.13 0.00 0.00 55.73 54.12 2dic s ARG 59 Cb -0.18 -1.81 -0.01 0.00 -1.56 0.00 0.00 34.95 31.40 2dic s ARG 59 CO 0.19 0.35 0.23 0.16 -0.81 0.00 0.00 175.30 175.43 2dic s ASP 60 N -3.25 5.94 -0.34 -2.12 -4.77 -1.26 -3.41 116.67 107.46 2dic s ASP 60 Ca 0.27 -0.56 -0.14 0.00 -3.30 0.00 0.00 52.55 48.82 2dic s ASP 60 Cb -0.06 -2.10 -0.02 0.00 -1.09 0.00 0.00 42.92 39.65 2dic s ASP 60 CO 0.14 -0.27 0.30 0.20 0.70 0.00 0.00 175.17 176.23 2dic s ASN 61 N 1.68 6.12 -0.10 2.11 0.01 -1.25 -4.96 114.94 118.54 2dic s ASN 61 Ca 0.05 -0.29 -0.03 0.00 -0.71 0.00 0.00 52.86 51.88 2dic s ASN 61 Cb -0.18 -2.17 -0.06 0.00 0.41 0.00 0.00 41.25 39.26 2dic s ASN 61 CO 0.09 -0.27 2.68 1.17 -1.51 0.00 0.00 177.10 179.26 2dic n LYS 62 N 5.24 1.64 0.00 -0.60 3.00 -1.26 -3.76 118.16 122.43 2dic n LYS 62 Ca -0.11 -0.87 0.00 0.00 -0.00 0.00 0.00 58.31 57.33 2dic n LYS 62 Cb 0.50 -1.59 0.00 0.00 0.00 0.00 0.00 35.03 33.94 2dic n LYS 62 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2dic n ASP 63 N 1.62 0.05 0.00 3.14 2.03 -1.26 -5.06 116.55 117.06 2dic n ASP 63 Ca 0.26 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.57 2dic n ASP 63 Cb 0.67 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.07 2dic n ASP 63 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2dic n GLY 64 N 2.47 0.00 3.09 0.27 0.00 -1.25 -5.17 105.19 104.60 2dic n GLY 64 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 2dic n GLY 64 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dic n SER 65 N 0.00 -1.42 -4.09 1.61 3.41 -1.26 -4.53 113.62 107.34 2dic n SER 65 Ca 0.00 -1.76 -0.20 0.00 -0.26 0.00 0.00 58.87 56.65 2dic n SER 65 Cb 0.00 2.32 -0.14 0.00 -0.26 0.00 0.00 64.21 66.13 2dic n SER 65 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2dic s SER 67 N -0.68 3.85 -0.11 0.00 0.15 -1.22 -2.68 113.70 113.00 2dic s SER 67 Ca 0.02 -0.25 -0.04 0.00 0.70 0.00 0.00 55.95 56.38 2dic s SER 67 Cb -0.06 -0.83 0.05 0.00 -1.71 0.00 0.00 66.02 63.47 2dic s SER 67 CO 0.00 0.33 0.09 0.00 1.20 0.00 0.00 173.24 174.86 2dic s ALA 68 N -0.62 0.25 -0.11 5.45 0.00 -1.26 -0.58 121.76 124.90 2dic s ALA 68 Ca 0.09 0.01 -0.02 0.00 0.00 0.00 0.00 51.96 52.04 2dic s ALA 68 Cb -0.11 -0.86 -0.03 0.00 0.00 0.00 0.00 23.12 22.11 2dic s ALA 68 CO 0.01 -0.84 -0.02 -1.83 0.00 0.00 0.00 175.76 173.08 2dic s GLU 69 N 2.18 3.17 0.05 0.00 -1.05 -0.51 -3.50 118.70 119.04 2dic s GLU 69 Ca 0.04 -0.46 0.03 0.00 -0.15 0.00 0.00 54.97 54.42 2dic s GLU 69 Cb -0.14 -2.81 -0.03 0.00 -0.44 0.00 0.00 34.13 30.71 2dic s GLU 69 CO -0.06 0.55 -0.09 1.52 0.95 0.00 0.00 175.26 178.13 2dic s TYR 70 N -0.48 0.79 -0.21 4.83 -0.85 0.32 0.38 117.35 122.12 2dic s TYR 70 Ca 0.08 -0.53 -0.05 0.00 -0.52 0.00 0.00 57.07 56.05 2dic s TYR 70 Cb -0.12 -0.46 0.07 0.00 0.38 0.00 0.00 41.96 41.83 2dic s TYR 70 CO 0.02 -0.06 0.11 0.42 -1.52 0.00 0.00 175.55 174.51 2dic s ILE 71 N -1.59 -0.09 1.06 -3.49 1.01 -0.97 -1.49 121.20 115.65 2dic s ILE 71 Ca -0.06 -0.37 -0.14 0.00 0.00 0.00 0.00 60.65 60.08 2dic s ILE 71 Cb -0.08 -0.72 0.22 0.00 0.01 0.00 0.00 42.46 41.89 2dic s ILE 71 CO 0.00 -0.44 1.10 -2.16 0.00 0.00 0.00 174.94 173.44 2dic s PRO 72 N 2.13 -0.04 0.00 2.79 0.04 -1.26 -1.85 135.00 136.81 2dic s PRO 72 Ca 0.05 0.37 0.00 0.00 0.04 0.00 0.00 61.00 61.45 2dic s PRO 72 Cb -0.16 -1.70 0.00 0.00 0.04 0.00 0.00 34.50 32.68 2dic s PRO 72 CO -0.19 -3.01 0.00 1.19 0.04 0.00 0.00 177.00 175.03 2dic n PHE 73 N -4.35 0.00 -3.83 0.56 3.72 -1.26 -1.30 117.46 111.00 2dic n PHE 73 Ca 0.07 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.35 2dic n PHE 73 Cb 0.58 0.00 -0.12 0.00 -0.94 0.00 0.00 39.48 39.00 2dic n PHE 73 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2dic s ALA 74 N -1.17 -0.39 0.40 4.37 0.00 -1.26 -4.79 121.76 118.92 2dic s ALA 74 Ca 0.00 0.27 -0.25 0.00 0.00 0.00 0.00 51.96 51.98 2dic s ALA 74 Cb 0.00 -0.15 -0.08 0.00 0.00 0.00 0.00 23.12 22.89 2dic s ALA 74 CO 0.00 -0.12 1.19 -1.25 0.00 0.00 0.00 175.76 175.58 2dic s PRO 75 N -0.41 4.05 0.00 0.00 0.04 -1.26 -4.81 135.00 132.61 2dic s PRO 75 Ca -0.05 1.89 0.00 0.00 0.04 0.00 0.00 61.00 62.88 2dic s PRO 75 Cb -0.03 -2.70 0.00 0.00 0.04 0.00 0.00 34.50 31.81 2dic s PRO 75 CO 0.01 -0.34 0.00 0.41 0.04 0.00 0.00 177.00 177.12 2dic n GLY 76 N 0.65 -1.34 3.50 0.56 0.00 -0.07 -4.92 105.19 103.56 2dic n GLY 76 Ca 0.04 -1.22 -0.43 0.00 0.00 0.00 0.00 46.02 44.41 2dic n GLY 76 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dic s ASP 77 N -4.00 6.26 0.33 1.61 1.01 -1.26 -1.35 116.67 119.26 2dic s ASP 77 Ca 0.00 -0.54 0.04 0.00 0.71 0.00 0.00 52.55 52.76 2dic s ASP 77 Cb 0.00 -2.27 -0.02 0.00 1.01 0.00 0.00 42.92 41.64 2dic s ASP 77 CO 0.00 -0.70 0.48 -0.31 0.21 0.00 0.00 175.17 174.85 2dic s TYR 78 N 2.49 3.28 -0.24 4.23 1.51 -1.13 -4.69 117.35 122.80 2dic s TYR 78 Ca 0.17 -0.01 -0.02 0.00 -1.01 0.00 0.00 57.07 56.19 2dic s TYR 78 Cb -0.16 -1.92 0.08 0.00 -0.11 0.00 0.00 41.96 39.85 2dic s TYR 78 CO 0.16 0.07 0.07 -0.51 -1.11 0.00 0.00 175.55 174.23 2dic s ASP 79 N -4.11 3.34 -0.52 2.29 1.01 -0.14 -2.17 116.67 116.36 2dic s ASP 79 Ca 0.42 -1.14 -0.28 0.00 0.71 0.00 0.00 52.55 52.26 2dic s ASP 79 Cb -0.09 -0.63 0.01 0.00 1.01 0.00 0.00 42.92 43.22 2dic s ASP 79 CO 0.32 -0.36 1.41 -0.69 0.21 0.00 0.00 175.17 176.06 2dic s VAL 80 N 1.83 3.82 -0.14 -1.27 1.01 -0.89 -2.55 120.40 122.23 2dic s VAL 80 Ca 0.04 0.75 -0.22 0.00 0.00 0.00 0.00 61.98 62.55 2dic s VAL 80 Cb -0.17 -4.37 -0.03 0.00 0.00 0.00 0.00 36.38 31.81 2dic s VAL 80 CO -0.18 -1.05 0.66 0.20 0.00 0.00 0.00 175.10 174.73 2dic s ASN 81 N 4.29 6.83 -0.09 3.32 0.01 0.15 -2.08 114.94 127.37 2dic s ASN 81 Ca 0.55 1.00 -0.01 0.00 -0.71 0.00 0.00 52.86 53.69 2dic s ASN 81 Cb -0.11 -2.38 0.03 0.00 0.41 0.00 0.00 41.25 39.20 2dic s ASN 81 CO 0.27 -0.20 -0.02 -0.63 -1.51 0.00 0.00 177.10 175.01 2dic s ILE 82 N 1.38 0.60 -0.02 0.60 1.01 -1.26 -0.24 121.20 123.27 2dic s ILE 82 Ca 0.33 -0.05 0.03 0.00 0.00 0.00 0.00 60.65 60.96 2dic s ILE 82 Cb -0.16 -0.73 0.00 0.00 0.01 0.00 0.00 42.46 41.58 2dic s ILE 82 CO 0.13 0.27 -0.09 0.42 0.00 0.00 0.00 174.94 175.68 2dic s THR 83 N 1.88 0.77 -0.49 2.92 -4.23 -0.44 -2.56 115.64 113.49 2dic s THR 83 Ca 0.05 -0.37 -0.13 0.00 -1.18 0.00 0.00 61.69 60.05 2dic s THR 83 Cb -0.13 -0.67 0.10 0.00 1.34 0.00 0.00 72.50 73.15 2dic s THR 83 CO -0.06 0.23 0.40 -0.47 -0.54 0.00 0.00 174.62 174.18 2dic s TYR 84 N 0.08 3.30 0.00 3.99 5.04 -0.31 -0.29 117.35 129.15 2dic s TYR 84 Ca -0.01 -1.33 0.00 0.00 -2.44 0.00 0.00 57.07 53.29 2dic s TYR 84 Cb -0.07 -3.42 0.00 0.00 0.35 0.00 0.00 41.96 38.81 2dic s TYR 84 CO 0.00 -0.92 0.00 0.41 -1.34 0.00 0.00 175.55 173.70 2dic n GLY 85 N 5.12 1.90 0.43 8.97 0.00 0.33 -3.07 105.19 118.87 2dic n GLY 85 Ca -0.12 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2dic n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dic n GLY 86 N 0.00 0.94 3.30 -0.02 0.00 -1.26 -4.84 105.19 103.30 2dic n GLY 86 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 2dic n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dic s ALA 87 N 0.00 1.71 -0.24 4.61 0.00 -1.17 -5.14 121.76 121.53 2dic s ALA 87 Ca 0.00 -1.61 -0.10 0.00 0.00 0.00 0.00 51.96 50.25 2dic s ALA 87 Cb 0.00 0.11 -0.05 0.00 0.00 0.00 0.00 23.12 23.18 2dic s ALA 87 CO 0.00 -0.09 0.14 -1.01 0.00 0.00 0.00 175.76 174.80 2dic s HIS 88 N -3.24 3.26 0.62 0.00 0.09 -1.26 -1.17 115.29 113.58 2dic s HIS 88 Ca 0.21 0.09 -0.18 0.00 -0.00 0.00 0.00 55.06 55.19 2dic s HIS 88 Cb 0.02 -2.25 -0.02 0.00 -0.00 0.00 0.00 32.58 30.33 2dic s HIS 88 CO 0.04 -0.02 1.19 0.96 -0.00 0.00 0.00 174.74 176.92 2dic s ILE 89 N 1.14 2.69 -0.66 0.60 -4.36 -1.06 -4.86 121.20 114.70 2dic s ILE 89 Ca 0.07 0.41 -0.26 0.00 -0.26 0.00 0.00 60.65 60.60 2dic s ILE 89 Cb -0.14 -3.09 -0.03 0.00 1.25 0.00 0.00 42.46 40.45 2dic s ILE 89 CO 0.05 -0.12 1.88 -2.16 0.24 0.00 0.00 174.94 174.82 2dic s PRO 90 N -3.50 2.61 0.00 0.37 0.04 -1.24 -2.75 135.00 130.53 2dic s PRO 90 Ca 0.75 0.46 0.00 0.00 0.04 0.00 0.00 61.00 62.25 2dic s PRO 90 Cb -0.28 -4.50 0.00 0.00 0.04 0.00 0.00 34.50 29.75 2dic s PRO 90 CO 0.35 -2.84 0.00 0.41 0.04 0.00 0.00 177.00 174.96 2dic n GLY 91 N 5.89 0.48 3.75 0.56 0.00 -1.26 -4.97 105.19 109.65 2dic n GLY 91 Ca 0.24 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.98 2dic n GLY 91 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dic s SER 92 N 0.00 5.30 0.47 1.61 0.15 -1.11 -3.67 113.70 116.45 2dic s SER 92 Ca 0.00 -0.17 -0.22 0.00 0.70 0.00 0.00 55.95 56.25 2dic s SER 92 Cb 0.00 -1.33 -0.07 0.00 -1.71 0.00 0.00 66.02 62.91 2dic s SER 92 CO 0.00 0.10 1.16 -2.16 1.20 0.00 0.00 173.24 173.54 2dic s PRO 93 N -2.86 3.71 -0.47 5.44 0.04 -1.26 -4.92 135.00 134.68 2dic s PRO 93 Ca 0.29 1.75 -0.19 0.00 0.04 0.00 0.00 61.00 62.90 2dic s PRO 93 Cb -0.10 -2.36 0.05 0.00 0.04 0.00 0.00 34.50 32.12 2dic s PRO 93 CO 0.22 -0.58 0.56 -0.06 0.04 0.00 0.00 177.00 177.17 2dic s PHE 94 N -1.57 3.10 0.05 0.56 0.40 -0.88 -4.80 117.98 114.83 2dic s PHE 94 Ca 0.65 -0.47 -0.31 0.00 -0.60 0.00 0.00 56.93 56.20 2dic s PHE 94 Cb -0.28 -3.32 -0.07 0.00 0.51 0.00 0.00 43.02 39.86 2dic s PHE 94 CO 0.34 -0.91 1.46 0.50 0.70 0.00 0.00 175.22 177.31 2dic s ARG 95 N 2.45 4.27 -0.11 0.44 3.00 -1.26 -2.09 118.95 125.66 2dic s ARG 95 Ca 0.14 2.09 -0.00 0.00 -1.00 0.00 0.00 55.73 56.96 2dic s ARG 95 Cb -0.18 -3.47 0.02 0.00 0.00 0.00 0.00 34.95 31.32 2dic s ARG 95 CO 0.13 -0.57 -0.07 0.08 0.00 0.00 0.00 175.30 174.87 2dic s VAL 96 N 2.02 0.98 -0.67 7.11 1.01 -0.92 -4.84 120.40 125.09 2dic s VAL 96 Ca 0.66 -0.27 -0.26 0.00 0.00 0.00 0.00 61.98 62.12 2dic s VAL 96 Cb -0.35 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.00 2dic s VAL 96 CO 0.29 0.36 1.88 -2.16 0.00 0.00 0.00 175.10 175.47 2dic s PRO 97 N 1.65 2.60 -0.54 2.72 0.04 -1.26 -2.82 135.00 137.39 2dic s PRO 97 Ca 0.04 0.43 -0.24 0.00 0.04 0.00 0.00 61.00 61.26 2dic s PRO 97 Cb -0.13 -4.53 0.04 0.00 0.04 0.00 0.00 34.50 29.92 2dic s PRO 97 CO -0.07 -2.88 0.95 0.08 0.04 0.00 0.00 177.00 175.12 2dic s VAL 98 N 9.33 4.39 0.53 -0.36 1.01 -0.46 -3.34 120.40 131.49 2dic s VAL 98 Ca 0.68 0.34 0.04 0.00 0.00 0.00 0.00 61.98 63.03 2dic s VAL 98 Cb -0.11 -4.53 0.04 0.00 0.00 0.00 0.00 36.38 31.77 2dic s VAL 98 CO 0.16 -1.09 0.73 -0.54 0.00 0.00 0.00 175.10 174.36 2dic s LYS 99 N 3.96 2.55 -0.26 2.72 1.02 -1.09 -0.90 119.74 127.74 2dic s LYS 99 Ca 0.31 -0.99 -0.10 0.00 0.02 0.00 0.00 55.97 55.21 2dic s LYS 99 Cb -0.12 -2.57 -0.05 0.00 -0.52 0.00 0.00 37.83 34.58 2dic s LYS 99 CO 0.20 -0.65 0.15 0.16 -0.92 0.00 0.00 175.35 174.30 2dic s ASP 100 N -4.44 5.88 0.23 2.83 -4.77 -1.26 -0.38 116.67 114.76 2dic s ASP 100 Ca 0.58 -0.00 -0.14 0.00 -3.30 0.00 0.00 52.55 49.69 2dic s ASP 100 Cb -0.10 -2.07 0.29 0.00 -1.09 0.00 0.00 42.92 39.95 2dic s ASP 100 CO 0.37 -0.00 1.58 0.58 0.70 0.00 0.00 175.17 178.40 2dic h VAL 101 N 5.27 0.13 -3.96 2.11 2.07 -1.95 -3.41 116.25 116.51 2dic h VAL 101 Ca -0.36 0.00 -0.36 0.00 0.82 0.00 0.00 66.70 66.79 2dic h VAL 101 Cb 1.18 0.13 -0.22 0.00 -1.52 0.00 0.00 31.29 30.87 2dic h VAL 101 CO 0.59 0.00 -0.76 0.54 0.02 0.00 0.00 177.57 177.96 2dic s VAL 102 N -6.14 0.89 -0.69 2.57 0.11 -1.26 -5.11 120.40 110.77 2dic s VAL 102 Ca -0.14 -1.20 -0.00 0.00 -2.93 0.00 0.00 61.98 57.70 2dic s VAL 102 Cb 0.22 -0.89 0.17 0.00 -1.53 0.00 0.00 36.38 34.35 2dic s VAL 102 CO 0.74 -0.27 0.51 1.51 -3.33 0.00 0.00 175.10 174.26 2dic s ASP 103 N -1.64 5.21 -0.04 3.54 -4.77 -1.26 -5.07 116.67 112.64 2dic s ASP 103 Ca -0.05 -3.28 -0.30 0.00 -3.30 0.00 0.00 52.55 45.62 2dic s ASP 103 Cb -0.10 -1.80 -0.05 0.00 -1.09 0.00 0.00 42.92 39.88 2dic s ASP 103 CO 0.02 -0.25 1.48 -2.16 0.70 0.00 0.00 175.17 174.95 2dic s PRO 104 N -0.68 4.24 0.00 2.11 0.04 -1.26 -5.26 135.00 134.19 2dic s PRO 104 Ca 0.21 2.02 0.13 0.00 0.04 0.00 0.00 61.00 63.40 2dic s PRO 104 Cb -0.15 -3.74 0.80 0.00 0.04 0.00 0.00 34.50 31.45 2dic s PRO 104 CO -0.07 -0.70 1.22 0.45 0.04 0.00 0.00 177.00 177.94