#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 6.92 -0.38 1.61 0.01 -1.26 -4.92 113.70 115.68 2dic s SER 2 Ca 0.00 1.32 0.05 0.00 1.31 0.00 0.00 55.95 58.63 2dic s SER 2 Cb 0.00 -2.54 0.45 0.00 0.21 0.00 0.00 66.02 64.14 2dic s SER 2 CO 0.00 -0.85 1.30 -0.24 0.41 0.00 0.00 173.24 173.86 2dic n SER 3 N 6.85 5.28 0.00 2.44 2.88 -1.26 -4.94 113.62 124.87 2dic n SER 3 Ca 0.13 -3.75 0.00 0.00 -1.33 0.00 0.00 58.87 53.92 2dic n SER 3 Cb 0.46 -0.46 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2dic n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dic n GLY 4 N -0.69 2.36 3.70 0.46 0.00 -1.26 -5.09 105.19 104.68 2dic n GLY 4 Ca 0.46 -0.71 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 2dic n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dic s SER 5 N 0.00 7.27 -0.65 1.61 0.15 -1.26 -5.00 113.70 115.82 2dic s SER 5 Ca 0.00 1.70 -0.17 0.00 0.70 0.00 0.00 55.95 58.18 2dic s SER 5 Cb 0.00 -2.57 0.14 0.00 -1.71 0.00 0.00 66.02 61.88 2dic s SER 5 CO 0.00 -0.36 0.69 -0.94 1.20 0.00 0.00 173.24 173.83 2dic s SER 6 N 1.07 6.34 -0.55 5.45 1.04 -1.26 -5.00 113.70 120.79 2dic s SER 6 Ca 0.53 -1.85 -0.26 0.00 0.48 0.00 0.00 55.95 54.85 2dic s SER 6 Cb -0.22 -2.26 -0.09 0.00 0.10 0.00 0.00 66.02 63.55 2dic s SER 6 CO 0.25 -0.92 2.43 0.61 0.98 0.00 0.00 173.24 176.59 2dic n GLY 7 N 5.03 0.11 0.00 7.32 0.00 -1.26 -4.38 105.19 112.01 2dic n GLY 7 Ca -0.04 0.62 0.00 0.00 0.00 0.00 0.00 46.02 46.61 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 6.13 1.71 3.63 -0.02 0.00 -1.26 -5.10 105.19 110.28 2dic n GLY 8 Ca 0.40 -0.34 -0.46 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.79 2.46 0.00 0.00 -0.21 0.12 -4.92 119.66 116.32 2dic s GLN 10 Ca 0.66 -2.46 0.15 0.00 0.02 0.00 0.00 55.36 53.73 2dic s GLN 10 Cb -0.70 -3.69 0.68 0.00 1.00 0.00 0.00 33.01 30.30 2dic s GLN 10 CO 0.54 -1.16 1.43 -0.35 -2.12 0.00 0.00 175.29 173.63 2dic n PRO 11 N 3.58 0.12 0.09 2.91 -0.04 -1.26 -2.21 135.00 138.19 2dic n PRO 11 Ca 0.07 0.19 0.05 0.00 -0.04 0.00 0.00 63.50 63.77 2dic n PRO 11 Cb 0.38 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.32 2dic n PRO 11 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2dic h SER 12 N 0.00 0.00 1.00 3.54 0.87 -1.91 -3.30 113.55 113.76 2dic h SER 12 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2dic h SER 12 Cb 0.19 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.15 2dic h SER 12 CO 0.00 0.33 0.00 0.03 -0.53 0.00 0.00 176.83 176.66 2dic h ARG 13 N 0.00 0.00 -6.82 2.24 2.47 -1.77 -3.44 114.38 107.06 2dic h ARG 13 Ca -0.07 0.00 -0.48 0.00 -1.26 0.00 0.00 59.98 58.17 2dic h ARG 13 Cb 1.31 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.61 2dic h ARG 13 CO 0.03 0.00 0.35 0.08 0.56 0.00 0.00 179.97 180.99 2dic s VAL 14 N -3.42 4.10 0.09 2.04 1.01 -1.24 -4.79 120.40 118.19 2dic s VAL 14 Ca 0.04 1.94 0.05 0.00 0.00 0.00 0.00 61.98 64.00 2dic s VAL 14 Cb 0.09 -4.16 -0.03 0.00 0.00 0.00 0.00 36.38 32.28 2dic s VAL 14 CO 0.49 0.33 -0.13 -1.10 0.00 0.00 0.00 175.10 174.69 2dic s GLN 15 N -1.60 0.87 -0.08 2.72 -0.21 -0.66 -4.73 119.66 115.97 2dic s GLN 15 Ca 0.46 -1.08 -0.02 0.00 0.02 0.00 0.00 55.36 54.73 2dic s GLN 15 Cb -0.23 -0.73 0.04 0.00 1.00 0.00 0.00 33.01 33.08 2dic s GLN 15 CO 0.29 0.14 0.05 0.00 -2.12 0.00 0.00 175.29 173.65 2dic s ALA 16 N -1.85 0.44 0.01 6.09 0.00 -1.26 -1.55 121.76 123.63 2dic s ALA 16 Ca 0.03 -0.02 -0.04 0.00 0.00 0.00 0.00 51.96 51.92 2dic s ALA 16 Cb -0.07 -0.75 -0.01 0.00 0.00 0.00 0.00 23.12 22.30 2dic s ALA 16 CO 0.02 -0.62 0.07 1.14 0.00 0.00 0.00 175.76 176.37 2dic s GLN 17 N 2.09 0.40 0.00 0.00 1.03 -0.43 -5.00 119.66 117.76 2dic s GLN 17 Ca 0.04 -0.46 0.00 0.00 0.04 0.00 0.00 55.36 54.98 2dic s GLN 17 Cb -0.13 0.16 0.00 0.00 0.03 0.00 0.00 33.01 33.07 2dic s GLN 17 CO -0.05 -0.09 0.00 0.41 -2.54 0.00 0.00 175.29 173.03 2dic n GLY 18 N 1.57 0.34 0.20 2.60 0.00 -1.26 0.29 105.19 108.93 2dic n GLY 18 Ca -0.23 -1.80 -0.13 0.00 0.00 0.00 0.00 46.02 43.86 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 5.42 0.63 0.00 1.61 0.13 -1.86 -2.22 132.00 135.71 2dic h PRO 19 Ca 0.00 -0.33 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 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 0.93 0.14 0.41 -0.23 0.00 0.00 178.00 179.25 2dic n GLY 20 N 0.17 -0.74 0.04 1.56 0.00 -0.16 0.29 105.19 106.35 2dic n GLY 20 Ca -0.04 0.16 -0.01 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.15 0.00 -0.08 0.99 4.77 -1.12 -4.67 117.00 114.73 2dic n LEU 21 Ca -0.01 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.82 2dic n LEU 21 Cb 0.17 0.21 -0.09 0.00 -2.33 0.00 0.00 43.42 41.37 2dic n LEU 21 CO 0.08 0.21 -0.20 0.50 -1.33 0.00 0.00 177.39 176.64 2dic h LYS 22 N 0.00 0.00 -2.10 3.23 3.64 -0.36 -3.41 116.57 117.57 2dic h LYS 22 Ca -0.23 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.14 2dic h LYS 22 Cb 1.39 0.00 -0.18 0.00 -0.41 0.00 0.00 32.23 33.03 2dic h LYS 22 CO 0.01 0.75 0.29 -2.00 -2.27 0.00 0.00 179.45 176.23 2dic s GLU 23 N -2.23 0.98 0.30 1.90 2.12 0.14 -4.27 118.70 117.65 2dic s GLU 23 Ca -0.21 0.06 0.01 0.00 0.36 0.00 0.00 54.97 55.19 2dic s GLU 23 Cb 0.02 0.46 -0.00 0.00 0.26 0.00 0.00 34.13 34.87 2dic s GLU 23 CO 0.50 -0.34 0.37 0.00 -0.54 0.00 0.00 175.26 175.25 2dic n ALA 24 N 0.56 -0.04 -2.28 6.30 0.00 -1.21 -4.07 120.51 119.77 2dic n ALA 24 Ca -0.16 -1.47 -0.15 0.00 0.00 0.00 0.00 53.44 51.66 2dic n ALA 24 Cb 0.59 1.18 -0.10 0.00 0.00 0.00 0.00 19.45 21.12 2dic n ALA 24 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2dic s PHE 25 N -3.19 1.38 0.06 0.00 0.08 -1.26 -2.14 117.98 112.90 2dic s PHE 25 Ca 0.27 -1.16 -0.30 0.00 0.12 0.00 0.00 56.93 55.86 2dic s PHE 25 Cb -0.00 -0.79 -0.05 0.00 -0.57 0.00 0.00 43.02 41.61 2dic s PHE 25 CO 0.20 -0.34 1.07 0.95 -0.10 0.00 0.00 175.22 177.00 2dic s THR 26 N -3.78 4.39 -1.95 0.64 -4.23 0.24 -3.18 115.64 107.77 2dic s THR 26 Ca 0.34 1.78 0.00 0.00 -1.18 0.00 0.00 61.69 62.63 2dic s THR 26 Cb 0.07 -4.14 0.00 0.00 1.34 0.00 0.00 72.50 69.77 2dic s THR 26 CO 0.10 0.18 0.00 0.59 -0.54 0.00 0.00 174.62 174.95 2dic n ASN 27 N 3.56 -5.68 -4.44 3.99 5.03 -0.13 -4.73 115.26 112.86 2dic n ASN 27 Ca 0.06 0.22 -0.31 0.00 0.87 0.00 0.00 54.58 55.42 2dic n ASN 27 Cb 0.48 -4.85 -0.13 0.00 -1.02 0.00 0.00 39.78 34.26 2dic n ASN 27 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 2dic s LYS 28 N -4.48 2.14 -0.22 3.52 1.02 -1.19 -4.99 119.74 115.54 2dic s LYS 28 Ca 0.00 -0.93 -0.29 0.00 0.02 0.00 0.00 55.97 54.77 2dic s LYS 28 Cb 0.00 -2.20 -0.03 0.00 -0.52 0.00 0.00 37.83 35.08 2dic s LYS 28 CO 0.00 0.56 1.61 -1.25 -0.92 0.00 0.00 175.35 175.34 2dic s PRO 29 N -1.23 3.81 -0.15 -1.68 0.04 -1.26 -4.47 135.00 130.07 2dic s PRO 29 Ca 0.14 1.67 0.00 0.00 0.04 0.00 0.00 61.00 62.85 2dic s PRO 29 Cb -0.10 -4.03 0.02 0.00 0.04 0.00 0.00 34.50 30.43 2dic s PRO 29 CO 0.04 -1.27 -0.15 -0.80 0.04 0.00 0.00 177.00 174.85 2dic s ASN 30 N 4.16 2.73 0.37 6.66 0.01 -0.89 -4.99 114.94 122.99 2dic s ASN 30 Ca 0.71 -0.50 0.04 0.00 -0.71 0.00 0.00 52.86 52.40 2dic s ASN 30 Cb -0.25 -1.21 -0.06 0.00 0.41 0.00 0.00 41.25 40.14 2dic s ASN 30 CO 0.29 -0.05 0.06 0.68 -1.51 0.00 0.00 177.10 176.57 2dic s VAL 31 N 1.45 1.21 0.11 1.60 -7.23 -1.26 -0.86 120.40 115.43 2dic s VAL 31 Ca 0.05 -2.00 -0.24 0.00 -1.81 0.00 0.00 61.98 57.98 2dic s VAL 31 Cb -0.13 -2.70 0.07 0.00 0.56 0.00 0.00 36.38 34.17 2dic s VAL 31 CO -0.11 0.00 0.60 0.72 -0.31 0.00 0.00 175.10 176.00 2dic s PHE 32 N -3.16 -0.54 -0.03 2.82 -0.12 -1.20 -0.98 117.98 114.77 2dic s PHE 32 Ca 0.32 0.47 -0.19 0.00 -0.05 0.00 0.00 56.93 57.48 2dic s PHE 32 Cb 0.07 0.50 -0.05 0.00 -0.63 0.00 0.00 43.02 42.91 2dic s PHE 32 CO 0.15 -0.78 0.53 0.99 -0.05 0.00 0.00 175.22 176.06 2dic s THR 33 N -3.18 4.99 -0.31 -4.49 2.01 0.15 -3.54 115.64 111.26 2dic s THR 33 Ca -0.02 1.10 0.01 0.00 0.31 0.00 0.00 61.69 63.10 2dic s THR 33 Cb -0.01 -3.86 0.09 0.00 0.01 0.00 0.00 72.50 68.73 2dic s THR 33 CO -0.08 0.43 0.05 -0.69 -0.69 0.00 0.00 174.62 173.64 2dic s VAL 34 N -0.18 1.50 -0.34 3.82 1.01 0.31 -1.31 120.40 125.21 2dic s VAL 34 Ca 0.28 -1.71 -0.29 0.00 0.00 0.00 0.00 61.98 60.27 2dic s VAL 34 Cb -0.17 -2.06 0.02 0.00 0.00 0.00 0.00 36.38 34.17 2dic s VAL 34 CO 0.15 -0.54 1.10 -0.69 0.00 0.00 0.00 175.10 175.12 2dic s VAL 35 N 1.32 4.43 -0.28 2.92 1.01 -0.60 -0.37 120.40 128.83 2dic s VAL 35 Ca 0.07 1.62 0.15 0.00 0.00 0.00 0.00 61.98 63.82 2dic s VAL 35 Cb -0.18 -4.43 0.48 0.00 0.00 0.00 0.00 36.38 32.25 2dic s VAL 35 CO -0.15 -0.57 1.15 0.35 0.00 0.00 0.00 175.10 175.88 2dic n THR 36 N 6.06 1.89 -2.75 3.92 -2.24 -1.26 -1.65 114.28 118.25 2dic n THR 36 Ca 0.12 -3.57 -0.43 0.00 -2.27 0.00 0.00 64.05 57.90 2dic n THR 36 Cb 0.47 0.09 -0.04 0.00 -2.10 0.00 0.00 70.33 68.76 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 -3.70 3.43 0.00 -0.78 1.70 -1.26 -3.51 118.95 114.83 2dic s ARG 37 Ca 0.39 -0.02 0.00 0.00 -0.47 0.00 0.00 55.73 55.63 2dic s ARG 37 Cb 0.37 -4.02 0.00 0.00 -0.57 0.00 0.00 34.95 30.73 2dic s ARG 37 CO -0.00 -1.51 0.00 0.41 -1.08 0.00 0.00 175.30 173.12 2dic n GLY 38 N 5.07 0.46 0.06 3.88 0.00 -1.26 -4.96 105.19 108.43 2dic n GLY 38 Ca 0.05 -0.88 -0.12 0.00 0.00 0.00 0.00 46.02 45.07 2dic n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dic h ALA 39 N 0.00 0.04 0.00 4.61 0.00 -1.84 -3.46 119.26 118.62 2dic h ALA 39 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2dic h ALA 39 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2dic h ALA 39 CO 0.00 -0.35 0.00 0.41 0.00 0.00 0.00 179.25 179.31 2dic n GLY 40 N -0.56 -0.58 2.75 0.00 0.00 -1.26 0.13 105.19 105.67 2dic n GLY 40 Ca -0.07 -0.71 -0.30 0.00 0.00 0.00 0.00 46.02 44.94 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 -3.42 1.44 0.00 -0.61 -1.09 -1.26 -4.99 121.20 111.27 2dic s ILE 41 Ca 0.00 -2.39 0.00 0.00 -2.23 0.00 0.00 60.65 56.03 2dic s ILE 41 Cb 0.00 -2.03 0.00 0.00 -1.58 0.00 0.00 42.46 38.85 2dic s ILE 41 CO 0.00 -0.83 0.00 0.61 -1.23 0.00 0.00 174.94 173.49 2dic n GLY 42 N 3.79 1.19 3.28 6.18 0.00 -1.26 -4.92 105.19 113.45 2dic n GLY 42 Ca 0.06 0.39 -0.14 0.00 0.00 0.00 0.00 46.02 46.33 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 -0.22 -0.24 -0.02 0.00 -1.26 -4.94 107.32 100.64 2dic s GLY 43 Ca 0.00 0.52 -0.10 0.00 0.00 0.00 0.00 44.72 45.14 2dic s GLY 43 CO 0.00 0.29 0.15 -2.27 0.00 0.00 0.00 173.10 171.26 2dic s LEU 44 N -1.21 4.03 -0.29 0.66 2.96 -1.26 0.41 118.68 123.97 2dic s LEU 44 Ca -0.12 0.07 0.03 0.00 -0.22 0.00 0.00 54.13 53.89 2dic s LEU 44 Cb -0.04 -2.08 0.07 0.00 0.50 0.00 0.00 46.19 44.64 2dic s LEU 44 CO 0.05 0.06 -0.05 -0.83 -1.32 0.00 0.00 176.35 174.25 2dic s GLY 45 N 1.09 1.75 -0.17 7.98 0.00 -0.10 -5.01 107.32 112.87 2dic s GLY 45 Ca 0.07 -2.02 -0.03 0.00 0.00 0.00 0.00 44.72 42.74 2dic s GLY 45 CO 0.05 0.72 -0.05 -0.42 0.00 0.00 0.00 173.10 173.40 2dic s ILE 46 N 1.04 3.62 0.05 0.90 1.01 -1.26 -1.75 121.20 124.82 2dic s ILE 46 Ca -0.02 -0.44 -0.02 0.00 0.00 0.00 0.00 60.65 60.17 2dic s ILE 46 Cb -0.20 -2.60 -0.04 0.00 0.01 0.00 0.00 42.46 39.64 2dic s ILE 46 CO -0.06 0.47 -0.01 0.42 0.00 0.00 0.00 174.94 175.77 2dic s THR 47 N 0.69 0.21 -0.11 2.92 -4.23 0.02 -5.00 115.64 110.14 2dic s THR 47 Ca -0.03 -1.74 0.02 0.00 -1.18 0.00 0.00 61.69 58.75 2dic s THR 47 Cb -0.15 -1.50 0.02 0.00 1.34 0.00 0.00 72.50 72.21 2dic s THR 47 CO 0.02 -0.96 -0.14 -0.69 -0.54 0.00 0.00 174.62 172.31 2dic s VAL 48 N -3.90 1.42 -0.00 2.29 1.01 -1.26 0.21 120.40 120.16 2dic s VAL 48 Ca 0.07 -0.59 0.04 0.00 0.00 0.00 0.00 61.98 61.50 2dic s VAL 48 Cb 0.08 -1.31 -0.03 0.00 0.00 0.00 0.00 36.38 35.11 2dic s VAL 48 CO -0.10 0.43 -0.12 -1.61 0.00 0.00 0.00 175.10 173.70 2dic s GLU 49 N 1.03 2.42 0.00 2.72 2.02 -0.87 -4.64 118.70 121.39 2dic s GLU 49 Ca -0.06 -0.78 0.00 0.00 0.02 0.00 0.00 54.97 54.15 2dic s GLU 49 Cb -0.15 -2.39 0.00 0.00 0.10 0.00 0.00 34.13 31.69 2dic s GLU 49 CO -0.02 0.59 0.00 0.41 0.02 0.00 0.00 175.26 176.26 2dic n GLY 50 N 1.78 0.72 0.00 -1.39 0.00 -1.26 -0.89 105.19 104.16 2dic n GLY 50 Ca -0.16 -0.76 0.08 0.00 0.00 0.00 0.00 46.02 45.18 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 0.35 -3.57 1.61 -0.04 -1.26 -4.72 135.00 127.37 2dic n PRO 51 Ca 0.00 0.07 -0.17 0.00 -0.04 0.00 0.00 63.50 63.36 2dic n PRO 51 Cb 0.00 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 31.89 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 -2.28 -0.61 0.11 3.54 1.04 -1.26 -4.97 113.70 109.28 2dic s SER 52 Ca 0.19 0.74 -0.31 0.00 0.48 0.00 0.00 55.95 57.05 2dic s SER 52 Cb 0.10 0.64 -0.07 0.00 0.10 0.00 0.00 66.02 66.79 2dic s SER 52 CO 0.20 -0.53 1.33 -0.70 0.98 0.00 0.00 173.24 174.52 2dic s GLU 53 N -0.97 4.36 -0.00 4.02 2.12 -1.26 -4.71 118.70 122.25 2dic s GLU 53 Ca -0.10 1.99 0.01 0.00 0.36 0.00 0.00 54.97 57.23 2dic s GLU 53 Cb -0.01 -3.27 -0.04 0.00 0.26 0.00 0.00 34.13 31.07 2dic s GLU 53 CO 0.08 -0.37 0.02 -1.12 -0.54 0.00 0.00 175.26 173.33 2dic s SER 54 N 1.03 5.29 -0.85 -1.70 0.01 -1.26 -4.25 113.70 111.97 2dic s SER 54 Ca 0.62 0.04 -0.25 0.00 1.31 0.00 0.00 55.95 57.67 2dic s SER 54 Cb -0.35 -1.43 0.03 0.00 0.21 0.00 0.00 66.02 64.48 2dic s SER 54 CO 0.30 0.28 1.46 -0.54 0.41 0.00 0.00 173.24 175.15 2dic s LYS 55 N -1.60 3.24 0.16 12.44 1.02 -0.30 -4.73 119.74 129.97 2dic s LYS 55 Ca 0.20 -0.51 -0.12 0.00 0.02 0.00 0.00 55.97 55.56 2dic s LYS 55 Cb -0.12 -4.74 -0.07 0.00 -0.52 0.00 0.00 37.83 32.39 2dic s LYS 55 CO 0.11 -2.33 0.52 0.42 -0.92 0.00 0.00 175.35 173.15 2dic s ILE 56 N 6.12 4.92 -0.22 2.17 1.01 -1.26 -2.03 121.20 131.92 2dic s ILE 56 Ca 0.45 0.67 -0.04 0.00 0.00 0.00 0.00 60.65 61.73 2dic s ILE 56 Cb -0.05 -3.69 0.11 0.00 0.01 0.00 0.00 42.46 38.84 2dic s ILE 56 CO 0.04 0.16 0.30 0.20 0.00 0.00 0.00 174.94 175.64 2dic s ASN 57 N -1.90 0.79 0.08 3.58 0.01 0.10 -4.97 114.94 112.63 2dic s ASN 57 Ca 0.40 0.04 -0.27 0.00 -0.71 0.00 0.00 52.86 52.31 2dic s ASN 57 Cb -0.14 0.74 -0.06 0.00 0.41 0.00 0.00 41.25 42.20 2dic s ASN 57 CO 0.20 -0.31 0.86 0.00 -1.51 0.00 0.00 177.10 176.33 2dic s ARG 59 N -0.09 0.85 -0.07 0.00 1.81 -0.26 -5.02 118.95 116.17 2dic s ARG 59 Ca 0.42 -1.17 0.03 0.00 -1.72 0.00 0.00 55.73 53.29 2dic s ARG 59 Cb -0.22 -0.52 -0.02 0.00 -0.45 0.00 0.00 34.95 33.73 2dic s ARG 59 CO 0.26 0.08 -0.13 -0.51 -0.68 0.00 0.00 175.30 174.32 2dic s ASP 60 N -2.49 4.12 -0.02 0.23 1.11 -1.26 -2.51 116.67 115.85 2dic s ASP 60 Ca 0.06 -0.19 0.02 0.00 0.18 0.00 0.00 52.55 52.62 2dic s ASP 60 Cb -0.02 -1.02 -0.03 0.00 1.07 0.00 0.00 42.92 42.91 2dic s ASP 60 CO -0.00 0.32 -0.04 0.20 1.18 0.00 0.00 175.17 176.82 2dic s ASN 61 N -0.56 4.82 -0.14 0.27 0.01 -1.21 -4.98 114.94 113.15 2dic s ASN 61 Ca 0.08 -0.06 -0.01 0.00 -0.71 0.00 0.00 52.86 52.16 2dic s ASN 61 Cb -0.12 -1.20 0.08 0.00 0.41 0.00 0.00 41.25 40.42 2dic s ASN 61 CO 0.01 0.30 2.11 0.29 -1.51 0.00 0.00 177.10 178.31 2dic n LYS 62 N 1.67 1.42 0.00 -0.60 4.76 -1.26 -3.54 118.16 120.60 2dic n LYS 62 Ca -0.16 -0.75 0.00 0.00 -2.87 0.00 0.00 58.31 54.53 2dic n LYS 62 Cb 0.53 -1.33 0.00 0.00 -1.84 0.00 0.00 35.03 32.39 2dic n LYS 62 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2dic n ASP 63 N 1.06 3.75 0.00 4.39 2.03 -1.26 -5.03 116.55 121.49 2dic n ASP 63 Ca 0.16 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.47 2dic n ASP 63 Cb 0.55 0.27 0.00 0.00 -0.72 0.00 0.00 41.12 41.23 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 2.70 0.05 3.59 0.27 0.00 -1.23 -5.14 105.19 105.42 2dic n GLY 64 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 2dic n GLY 64 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dic s SER 65 N -0.22 3.86 0.05 1.61 1.04 -1.26 -4.26 113.70 114.52 2dic s SER 65 Ca 0.00 -1.26 0.06 0.00 0.48 0.00 0.00 55.95 55.24 2dic s SER 65 Cb 0.00 -0.39 -0.03 0.00 0.10 0.00 0.00 66.02 65.70 2dic s SER 65 CO 0.00 -0.33 -0.13 0.00 0.98 0.00 0.00 173.24 173.76 2dic s SER 67 N -1.67 2.36 -0.07 0.00 0.01 -1.05 -0.53 113.70 112.75 2dic s SER 67 Ca 0.17 -0.37 -0.01 0.00 1.31 0.00 0.00 55.95 57.05 2dic s SER 67 Cb -0.11 -0.31 0.03 0.00 0.21 0.00 0.00 66.02 65.84 2dic s SER 67 CO 0.08 0.24 -0.00 0.00 0.41 0.00 0.00 173.24 173.97 2dic s ALA 68 N -0.42 0.66 -0.05 1.44 0.00 -1.23 -1.10 121.76 121.05 2dic s ALA 68 Ca 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 51.96 51.93 2dic s ALA 68 Cb -0.08 -0.69 -0.03 0.00 0.00 0.00 0.00 23.12 22.31 2dic s ALA 68 CO -0.00 -0.41 -0.04 -1.83 0.00 0.00 0.00 175.76 173.48 2dic s GLU 69 N 1.85 2.80 0.01 0.00 -1.05 -0.89 -3.20 118.70 118.21 2dic s GLU 69 Ca 0.03 -0.54 -0.02 0.00 -0.15 0.00 0.00 54.97 54.29 2dic s GLU 69 Cb -0.12 -2.65 -0.01 0.00 -0.44 0.00 0.00 34.13 30.90 2dic s GLU 69 CO -0.05 0.66 0.01 1.52 0.95 0.00 0.00 175.26 178.36 2dic s TYR 70 N -0.89 0.19 -0.24 4.83 -0.85 -0.04 0.02 117.35 120.36 2dic s TYR 70 Ca 0.14 -0.41 -0.03 0.00 -0.52 0.00 0.00 57.07 56.26 2dic s TYR 70 Cb -0.11 -0.15 0.08 0.00 0.38 0.00 0.00 41.96 42.16 2dic s TYR 70 CO 0.04 -0.21 0.08 0.42 -1.52 0.00 0.00 175.55 174.36 2dic s ILE 71 N -1.38 0.38 1.01 -3.49 1.01 -0.86 -2.10 121.20 115.77 2dic s ILE 71 Ca -0.15 -0.77 -0.12 0.00 0.00 0.00 0.00 60.65 59.61 2dic s ILE 71 Cb -0.09 -1.12 0.19 0.00 0.01 0.00 0.00 42.46 41.46 2dic s ILE 71 CO -0.00 -0.47 1.09 -2.16 0.00 0.00 0.00 174.94 173.40 2dic s PRO 72 N 1.90 0.34 0.00 2.79 0.04 -1.26 -1.15 135.00 137.66 2dic s PRO 72 Ca 0.05 0.49 0.00 0.00 0.04 0.00 0.00 61.00 61.58 2dic s PRO 72 Cb -0.17 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.64 2dic s PRO 72 CO -0.20 -2.79 0.00 1.19 0.04 0.00 0.00 177.00 175.25 2dic n PHE 73 N -4.21 0.00 -3.79 0.56 3.01 -1.26 -0.96 117.46 110.82 2dic n PHE 73 Ca 0.05 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.38 2dic n PHE 73 Cb 0.57 0.00 -0.11 0.00 -0.01 0.00 0.00 39.48 39.94 2dic n PHE 73 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2dic s ALA 74 N -1.22 -0.65 0.51 4.37 0.00 -1.26 -4.79 121.76 118.71 2dic s ALA 74 Ca 0.00 0.60 -0.21 0.00 0.00 0.00 0.00 51.96 52.35 2dic s ALA 74 Cb 0.00 -0.30 -0.06 0.00 0.00 0.00 0.00 23.12 22.75 2dic s ALA 74 CO 0.00 -0.16 1.15 -1.25 0.00 0.00 0.00 175.76 175.50 2dic s PRO 75 N -0.26 3.52 0.00 0.00 0.04 -1.26 -4.81 135.00 132.23 2dic s PRO 75 Ca -0.04 1.68 0.00 0.00 0.04 0.00 0.00 61.00 62.68 2dic s PRO 75 Cb -0.03 -2.17 0.00 0.00 0.04 0.00 0.00 34.50 32.34 2dic s PRO 75 CO 0.01 -0.73 0.00 0.41 0.04 0.00 0.00 177.00 176.73 2dic n GLY 76 N 0.28 -0.83 3.49 0.56 0.00 0.14 -4.94 105.19 103.89 2dic n GLY 76 Ca 0.10 -1.41 -0.43 0.00 0.00 0.00 0.00 46.02 44.28 2dic n GLY 76 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2dic s ASP 77 N -3.82 6.27 0.36 1.61 1.47 -1.26 -0.85 116.67 120.45 2dic s ASP 77 Ca 0.00 -0.57 0.05 0.00 1.18 0.00 0.00 52.55 53.21 2dic s ASP 77 Cb 0.00 -2.30 -0.01 0.00 -0.34 0.00 0.00 42.92 40.27 2dic s ASP 77 CO 0.00 -0.82 0.52 -0.31 0.68 0.00 0.00 175.17 175.24 2dic s TYR 78 N 2.74 3.14 -0.21 2.11 1.51 -1.12 -4.73 117.35 120.78 2dic s TYR 78 Ca 0.19 -0.12 -0.03 0.00 -1.01 0.00 0.00 57.07 56.10 2dic s TYR 78 Cb -0.16 -2.07 0.07 0.00 -0.11 0.00 0.00 41.96 39.69 2dic s TYR 78 CO 0.16 -0.10 0.07 -0.51 -1.11 0.00 0.00 175.55 174.06 2dic s ASP 79 N -4.19 2.95 -0.48 2.29 1.01 -0.06 -2.54 116.67 115.65 2dic s ASP 79 Ca 0.46 -0.91 -0.29 0.00 0.71 0.00 0.00 52.55 52.53 2dic s ASP 79 Cb -0.10 -0.50 0.02 0.00 1.01 0.00 0.00 42.92 43.36 2dic s ASP 79 CO 0.33 -0.34 1.26 -0.69 0.21 0.00 0.00 175.17 175.93 2dic s VAL 80 N 1.94 4.05 -0.28 -1.27 1.01 -1.07 -2.05 120.40 122.73 2dic s VAL 80 Ca 0.02 1.04 -0.22 0.00 0.00 0.00 0.00 61.98 62.82 2dic s VAL 80 Cb -0.17 -4.48 -0.01 0.00 0.00 0.00 0.00 36.38 31.73 2dic s VAL 80 CO -0.13 -0.98 0.73 0.20 0.00 0.00 0.00 175.10 174.91 2dic s ASN 81 N 3.17 6.65 -0.18 3.32 0.01 0.13 -2.14 114.94 125.90 2dic s ASN 81 Ca 0.52 0.72 0.01 0.00 -0.71 0.00 0.00 52.86 53.40 2dic s ASN 81 Cb -0.09 -2.38 0.04 0.00 0.41 0.00 0.00 41.25 39.22 2dic s ASN 81 CO 0.31 -0.51 -0.11 -0.63 -1.51 0.00 0.00 177.10 174.65 2dic s ILE 82 N 2.76 1.61 0.06 0.60 1.01 -1.26 -0.80 121.20 125.18 2dic s ILE 82 Ca 0.30 -0.90 0.06 0.00 0.00 0.00 0.00 60.65 60.12 2dic s ILE 82 Cb -0.15 -1.64 -0.03 0.00 0.01 0.00 0.00 42.46 40.65 2dic s ILE 82 CO 0.10 0.25 -0.17 0.42 0.00 0.00 0.00 174.94 175.54 2dic s THR 83 N 1.43 1.38 -0.35 2.92 -4.23 -0.71 -2.09 115.64 113.98 2dic s THR 83 Ca 0.01 -1.21 0.01 0.00 -1.18 0.00 0.00 61.69 59.31 2dic s THR 83 Cb -0.15 -1.25 0.09 0.00 1.34 0.00 0.00 72.50 72.53 2dic s THR 83 CO -0.09 0.01 0.08 -0.47 -0.54 0.00 0.00 174.62 173.61 2dic s TYR 84 N -0.97 3.58 0.00 3.99 5.04 0.17 -0.92 117.35 128.23 2dic s TYR 84 Ca 0.04 -2.55 0.00 0.00 -2.44 0.00 0.00 57.07 52.12 2dic s TYR 84 Cb -0.09 -2.80 0.00 0.00 0.35 0.00 0.00 41.96 39.42 2dic s TYR 84 CO 0.02 -0.93 0.00 0.41 -1.34 0.00 0.00 175.55 173.71 2dic n GLY 85 N 4.45 1.63 0.42 8.97 0.00 0.16 -3.07 105.19 117.75 2dic n GLY 85 Ca -0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 46.02 45.96 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 0.62 3.07 -0.02 0.00 -1.26 -4.86 105.19 102.75 2dic n GLY 86 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 0.59 -0.11 4.61 0.00 -1.18 -5.14 121.76 120.54 2dic s ALA 87 Ca 0.00 -0.88 -0.21 0.00 0.00 0.00 0.00 51.96 50.87 2dic s ALA 87 Cb 0.00 0.09 -0.04 0.00 0.00 0.00 0.00 23.12 23.17 2dic s ALA 87 CO 0.00 -0.10 0.60 -1.01 0.00 0.00 0.00 175.76 175.25 2dic s HIS 88 N -1.94 3.51 0.59 0.00 0.09 -1.26 -0.66 115.29 115.62 2dic s HIS 88 Ca -0.06 1.04 -0.18 0.00 -0.00 0.00 0.00 55.06 55.87 2dic s HIS 88 Cb -0.06 -2.71 -0.04 0.00 -0.00 0.00 0.00 32.58 29.78 2dic s HIS 88 CO -0.01 0.07 1.15 0.96 -0.00 0.00 0.00 174.74 176.90 2dic s ILE 89 N 0.96 2.99 -1.02 0.60 -4.36 -0.89 -4.89 121.20 114.59 2dic s ILE 89 Ca 0.31 0.58 -0.24 0.00 -0.26 0.00 0.00 60.65 61.04 2dic s ILE 89 Cb -0.16 -3.18 -0.06 0.00 1.25 0.00 0.00 42.46 40.30 2dic s ILE 89 CO 0.13 -0.17 1.94 -2.16 0.24 0.00 0.00 174.94 174.92 2dic s PRO 90 N -3.50 2.54 0.00 0.37 0.04 -1.26 -2.63 135.00 130.57 2dic s PRO 90 Ca 0.73 -0.66 0.00 0.00 0.04 0.00 0.00 61.00 61.11 2dic s PRO 90 Cb -0.25 -5.14 0.00 0.00 0.04 0.00 0.00 34.50 29.15 2dic s PRO 90 CO 0.32 -3.62 0.00 0.41 0.04 0.00 0.00 177.00 174.15 2dic n GLY 91 N 6.42 0.05 3.84 0.56 0.00 -1.26 -4.98 105.19 109.82 2dic n GLY 91 Ca 0.42 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.16 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 5.83 0.38 1.61 0.15 -1.08 -3.56 113.70 117.03 2dic s SER 92 Ca 0.00 0.03 -0.26 0.00 0.70 0.00 0.00 55.95 56.42 2dic s SER 92 Cb 0.00 -1.64 -0.09 0.00 -1.71 0.00 0.00 66.02 62.59 2dic s SER 92 CO 0.00 0.11 1.19 -2.16 1.20 0.00 0.00 173.24 173.58 2dic s PRO 93 N -2.85 4.12 -0.50 5.44 0.04 -1.26 -4.88 135.00 135.11 2dic s PRO 93 Ca 0.32 1.91 -0.20 0.00 0.04 0.00 0.00 61.00 63.08 2dic s PRO 93 Cb -0.11 -2.76 0.05 0.00 0.04 0.00 0.00 34.50 31.72 2dic s PRO 93 CO 0.25 -0.29 0.64 -0.06 0.04 0.00 0.00 177.00 177.58 2dic s PHE 94 N -1.35 3.04 0.22 0.56 0.40 -0.91 -4.78 117.98 115.16 2dic s PHE 94 Ca 0.55 -0.45 -0.31 0.00 -0.60 0.00 0.00 56.93 56.12 2dic s PHE 94 Cb -0.33 -3.54 -0.10 0.00 0.51 0.00 0.00 43.02 39.56 2dic s PHE 94 CO 0.41 -1.03 1.54 0.50 0.70 0.00 0.00 175.22 177.34 2dic s ARG 95 N 2.73 4.21 -0.04 0.44 6.06 -1.26 -2.60 118.95 128.48 2dic s ARG 95 Ca 0.17 2.40 -0.02 0.00 -2.50 0.00 0.00 55.73 55.78 2dic s ARG 95 Cb -0.18 -3.11 0.03 0.00 0.06 0.00 0.00 34.95 31.75 2dic s ARG 95 CO 0.13 -0.55 0.05 0.08 -2.50 0.00 0.00 175.30 172.51 2dic s VAL 96 N 0.49 -0.05 -0.79 7.11 1.01 -1.05 -4.72 120.40 122.38 2dic s VAL 96 Ca 0.65 0.40 -0.25 0.00 0.00 0.00 0.00 61.98 62.77 2dic s VAL 96 Cb -0.44 -0.19 -0.04 0.00 0.00 0.00 0.00 36.38 35.71 2dic s VAL 96 CO 0.39 0.19 1.92 -2.16 0.00 0.00 0.00 175.10 175.43 2dic s PRO 97 N 2.15 2.58 -0.65 2.72 0.04 -1.26 -2.80 135.00 137.78 2dic s PRO 97 Ca 0.05 0.05 -0.27 0.00 0.04 0.00 0.00 61.00 60.87 2dic s PRO 97 Cb -0.12 -4.81 0.03 0.00 0.04 0.00 0.00 34.50 29.64 2dic s PRO 97 CO -0.03 -3.14 1.21 0.08 0.04 0.00 0.00 177.00 175.16 2dic s VAL 98 N 9.71 3.92 0.67 -0.36 1.01 -0.03 -3.31 120.40 132.01 2dic s VAL 98 Ca 0.69 0.63 0.02 0.00 0.00 0.00 0.00 61.98 63.32 2dic s VAL 98 Cb -0.09 -4.80 0.11 0.00 0.00 0.00 0.00 36.38 31.60 2dic s VAL 98 CO 0.07 -1.55 0.92 -0.54 0.00 0.00 0.00 175.10 174.00 2dic s LYS 99 N 5.21 1.90 0.06 2.72 1.02 -0.91 0.27 119.74 130.01 2dic s LYS 99 Ca 0.38 -1.20 0.06 0.00 0.02 0.00 0.00 55.97 55.23 2dic s LYS 99 Cb -0.08 -2.42 -0.03 0.00 -0.52 0.00 0.00 37.83 34.78 2dic s LYS 99 CO 0.20 -1.24 -0.17 0.34 -0.92 0.00 0.00 175.35 173.56 2dic s ASP 100 N -4.69 2.07 -0.15 2.83 -1.08 -1.26 0.83 116.67 115.22 2dic s ASP 100 Ca 0.64 -0.55 0.14 0.00 -0.52 0.00 0.00 52.55 52.26 2dic s ASP 100 Cb -0.06 -0.13 -0.19 0.00 -1.46 0.00 0.00 42.92 41.08 2dic s ASP 100 CO 0.42 0.05 0.06 0.52 0.52 0.00 0.00 175.17 176.75 2dic n VAL 101 N 1.61 1.03 -4.59 1.11 0.31 -1.26 -4.94 118.33 111.60 2dic n VAL 101 Ca -0.19 -0.64 -0.33 0.00 -0.01 0.00 0.00 64.34 63.17 2dic n VAL 101 Cb 0.54 -0.59 -0.13 0.00 -0.91 0.00 0.00 33.84 32.75 2dic n VAL 101 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2dic s VAL 102 N -2.38 3.51 0.00 2.52 1.01 -1.26 -5.11 120.40 118.69 2dic s VAL 102 Ca -0.07 -0.50 -0.01 0.00 0.00 0.00 0.00 61.98 61.39 2dic s VAL 102 Cb 0.05 -2.50 -0.01 0.00 0.00 0.00 0.00 36.38 33.92 2dic s VAL 102 CO 0.62 0.52 0.02 1.51 0.00 0.00 0.00 175.10 177.77 2dic s ASP 103 N 0.24 0.08 -0.63 3.32 -4.77 -1.26 -5.10 116.67 108.54 2dic s ASP 103 Ca -0.05 -0.18 -0.26 0.00 -3.30 0.00 0.00 52.55 48.75 2dic s ASP 103 Cb -0.15 0.09 -0.02 0.00 -1.09 0.00 0.00 42.92 41.76 2dic s ASP 103 CO 0.04 -0.16 1.87 -2.16 0.70 0.00 0.00 175.17 175.46 2dic s PRO 104 N -0.69 2.62 0.00 2.11 0.04 -1.26 -5.29 135.00 132.53 2dic s PRO 104 Ca -0.08 0.56 0.29 0.00 0.04 0.00 0.00 61.00 61.81 2dic s PRO 104 Cb -0.05 -4.43 1.18 0.00 0.04 0.00 0.00 34.50 31.25 2dic s PRO 104 CO -0.00 -2.77 1.82 0.45 0.04 0.00 0.00 177.00 176.53