#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 6.98 0.09 1.61 0.15 -1.26 -4.95 113.70 116.33 2dic s SER 2 Ca 0.00 2.42 -0.23 0.00 0.70 0.00 0.00 55.95 58.84 2dic s SER 2 Cb 0.00 -2.62 -0.13 0.00 -1.71 0.00 0.00 66.02 61.55 2dic s SER 2 CO 0.00 -0.42 1.73 0.28 1.20 0.00 0.00 173.24 176.03 2dic h SER 3 N 4.50 -0.07 0.00 5.45 0.02 -2.11 -3.49 113.55 117.85 2dic h SER 3 Ca -0.46 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 2dic h SER 3 Cb 1.22 0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.79 2dic h SER 3 CO 0.71 -0.04 0.00 0.61 -1.14 0.00 0.00 176.83 176.98 2dic n GLY 4 N -1.13 0.36 4.32 -3.77 0.00 -1.26 -5.02 105.19 98.70 2dic n GLY 4 Ca -0.07 -1.32 -0.39 0.00 0.00 0.00 0.00 46.02 44.25 2dic n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dic n SER 5 N 0.00 -2.78 -0.33 1.61 3.41 -1.26 -4.77 113.62 109.50 2dic n SER 5 Ca 0.00 -1.08 0.18 0.00 -0.26 0.00 0.00 58.87 57.72 2dic n SER 5 Cb 0.00 -2.32 0.43 0.00 -0.26 0.00 0.00 64.21 62.06 2dic n SER 5 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2dic h SER 6 N -1.24 0.59 0.00 4.04 4.64 -2.01 -3.44 113.55 116.13 2dic h SER 6 Ca -0.59 0.10 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 2dic h SER 6 Cb 1.38 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.47 2dic h SER 6 CO 0.82 0.15 0.00 0.61 -0.87 0.00 0.00 176.83 177.54 2dic n GLY 7 N -1.40 0.26 0.00 -0.77 0.00 -1.26 -5.15 105.19 96.87 2dic n GLY 7 Ca 0.25 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.46 3.80 -0.02 0.00 -1.26 -5.16 105.19 101.09 2dic n GLY 8 Ca 0.00 0.90 -0.34 0.00 0.00 0.00 0.00 46.02 46.58 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 -3.13 1.15 0.00 0.00 -1.52 0.39 -4.91 119.66 111.63 2dic s GLN 10 Ca 0.64 -1.69 0.14 0.00 -1.95 0.00 0.00 55.36 52.51 2dic s GLN 10 Cb -0.14 -2.39 0.64 0.00 -0.22 0.00 0.00 33.01 30.91 2dic s GLN 10 CO 0.18 -1.06 1.44 -0.35 -0.25 0.00 0.00 175.29 175.24 2dic n PRO 11 N 4.09 0.06 0.05 2.91 -0.04 -1.26 -2.34 135.00 138.48 2dic n PRO 11 Ca 0.04 0.23 -0.03 0.00 -0.04 0.00 0.00 63.50 63.70 2dic n PRO 11 Cb 0.38 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.26 2dic n PRO 11 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2dic h SER 12 N 0.00 0.00 0.86 3.54 4.64 -1.90 -3.28 113.55 117.41 2dic h SER 12 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2dic h SER 12 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 2dic h SER 12 CO 0.00 0.74 0.00 0.03 -0.87 0.00 0.00 176.83 176.73 2dic h ARG 13 N 0.00 0.00 -7.00 4.77 2.47 -1.74 -3.45 114.38 109.43 2dic h ARG 13 Ca -0.12 0.00 -0.53 0.00 -1.26 0.00 0.00 59.98 58.08 2dic h ARG 13 Cb 1.67 0.00 0.09 0.00 -1.65 0.00 0.00 29.97 30.08 2dic h ARG 13 CO 0.08 0.00 0.56 0.08 0.56 0.00 0.00 179.97 181.24 2dic s VAL 14 N -3.45 2.64 -0.02 2.04 1.01 -1.24 -4.76 120.40 116.63 2dic s VAL 14 Ca 0.03 0.51 0.02 0.00 0.00 0.00 0.00 61.98 62.54 2dic s VAL 14 Cb 0.09 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 33.21 2dic s VAL 14 CO 0.45 0.02 -0.07 0.00 0.00 0.00 0.00 175.10 175.51 2dic s GLN 15 N -2.65 0.71 -0.08 2.72 -2.07 -1.01 -4.86 119.66 112.42 2dic s GLN 15 Ca 0.64 -0.21 -0.01 0.00 -1.82 0.00 0.00 55.36 53.96 2dic s GLN 15 Cb -0.35 -0.69 0.03 0.00 -1.09 0.00 0.00 33.01 30.91 2dic s GLN 15 CO 0.43 0.07 -0.02 0.00 -1.32 0.00 0.00 175.29 174.45 2dic s ALA 16 N 0.22 0.87 -0.03 2.60 0.00 -1.26 -2.09 121.76 122.08 2dic s ALA 16 Ca -0.03 -0.24 -0.15 0.00 0.00 0.00 0.00 51.96 51.54 2dic s ALA 16 Cb -0.07 -0.79 0.02 0.00 0.00 0.00 0.00 23.12 22.28 2dic s ALA 16 CO 0.00 -0.45 0.32 1.14 0.00 0.00 0.00 175.76 176.77 2dic s GLN 17 N 1.90 0.64 0.00 0.00 -2.07 -0.40 -5.00 119.66 114.73 2dic s GLN 17 Ca 0.05 -0.11 0.00 0.00 -1.82 0.00 0.00 55.36 53.48 2dic s GLN 17 Cb -0.12 0.29 0.00 0.00 -1.09 0.00 0.00 33.01 32.08 2dic s GLN 17 CO -0.06 -0.17 0.00 0.41 -1.32 0.00 0.00 175.29 174.15 2dic n GLY 18 N 1.47 -0.56 0.21 2.60 0.00 -1.26 0.66 105.19 108.32 2dic n GLY 18 Ca -0.21 -1.58 -0.13 0.00 0.00 0.00 0.00 46.02 44.10 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 3.45 0.71 0.00 1.61 0.13 -1.88 -2.07 132.00 133.94 2dic h PRO 19 Ca 0.00 -0.37 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 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 0.99 0.02 0.41 -0.23 0.00 0.00 178.00 179.19 2dic n GLY 20 N 0.16 -0.54 0.05 1.56 0.00 0.16 -0.59 105.19 105.98 2dic n GLY 20 Ca -0.04 0.04 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.62 0.00 -0.07 0.99 4.77 -1.11 -4.69 117.00 115.27 2dic n LEU 21 Ca -0.00 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.85 2dic n LEU 21 Cb 0.03 0.23 -0.11 0.00 -2.33 0.00 0.00 43.42 41.24 2dic n LEU 21 CO 0.02 0.23 0.30 0.11 -1.33 0.00 0.00 177.39 176.71 2dic h LYS 22 N 0.00 0.00 -1.91 3.23 1.57 -0.50 -3.43 116.57 115.54 2dic h LYS 22 Ca -0.25 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.51 2dic h LYS 22 Cb 1.50 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 33.60 2dic h LYS 22 CO 0.01 0.86 0.23 -1.83 -0.57 0.00 0.00 179.45 178.16 2dic s GLU 23 N -2.14 0.85 0.36 3.15 -1.05 0.24 -4.62 118.70 115.49 2dic s GLU 23 Ca -0.17 0.62 0.05 0.00 -0.15 0.00 0.00 54.97 55.32 2dic s GLU 23 Cb -0.02 0.41 -0.03 0.00 -0.44 0.00 0.00 34.13 34.05 2dic s GLU 23 CO 0.59 -0.18 0.18 0.00 0.95 0.00 0.00 175.26 176.81 2dic s ALA 24 N -0.30 2.38 0.25 -0.84 0.00 -1.18 -4.28 121.76 117.80 2dic s ALA 24 Ca -0.03 -1.61 0.01 0.00 0.00 0.00 0.00 51.96 50.33 2dic s ALA 24 Cb -0.03 1.07 -0.04 0.00 0.00 0.00 0.00 23.12 24.12 2dic s ALA 24 CO 0.03 -0.48 0.14 -0.06 0.00 0.00 0.00 175.76 175.39 2dic s PHE 25 N -3.37 1.41 -0.00 0.00 0.40 -1.26 -2.43 117.98 112.72 2dic s PHE 25 Ca 0.32 -1.36 -0.28 0.00 -0.60 0.00 0.00 56.93 55.01 2dic s PHE 25 Cb 0.03 -0.73 -0.04 0.00 0.51 0.00 0.00 43.02 42.79 2dic s PHE 25 CO 0.19 -0.56 0.88 0.95 0.70 0.00 0.00 175.22 177.38 2dic s THR 26 N -3.87 4.86 -1.85 0.64 -4.23 0.62 -3.54 115.64 108.27 2dic s THR 26 Ca 0.38 1.84 0.00 0.00 -1.18 0.00 0.00 61.69 62.74 2dic s THR 26 Cb 0.06 -4.22 0.00 0.00 1.34 0.00 0.00 72.50 69.68 2dic s THR 26 CO 0.15 0.22 0.00 0.59 -0.54 0.00 0.00 174.62 175.05 2dic n ASN 27 N 3.63 -5.79 -4.31 3.99 3.02 -0.26 -4.76 115.26 110.78 2dic n ASN 27 Ca 0.03 0.09 -0.28 0.00 -0.03 0.00 0.00 54.58 54.38 2dic n ASN 27 Cb 0.51 -4.86 -0.14 0.00 -0.61 0.00 0.00 39.78 34.67 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 -4.77 1.60 -0.12 3.52 1.02 -1.23 -4.99 119.74 114.76 2dic s LYS 28 Ca 0.00 -1.08 -0.29 0.00 0.02 0.00 0.00 55.97 54.62 2dic s LYS 28 Cb 0.00 -1.79 -0.04 0.00 -0.52 0.00 0.00 37.83 35.49 2dic s LYS 28 CO 0.00 0.45 1.54 -1.25 -0.92 0.00 0.00 175.35 175.18 2dic s PRO 29 N -1.32 4.11 -0.21 -1.68 0.04 -1.26 -4.41 135.00 130.27 2dic s PRO 29 Ca 0.10 1.93 0.01 0.00 0.04 0.00 0.00 61.00 63.08 2dic s PRO 29 Cb -0.10 -3.94 0.05 0.00 0.04 0.00 0.00 34.50 30.55 2dic s PRO 29 CO 0.02 -0.91 -0.09 -0.80 0.04 0.00 0.00 177.00 175.26 2dic s ASN 30 N 3.18 3.55 0.39 6.66 0.01 -0.55 -4.97 114.94 123.21 2dic s ASN 30 Ca 0.68 -0.98 0.07 0.00 -0.71 0.00 0.00 52.86 51.92 2dic s ASN 30 Cb -0.28 -1.24 -0.08 0.00 0.41 0.00 0.00 41.25 40.06 2dic s ASN 30 CO 0.25 -0.17 0.01 0.68 -1.51 0.00 0.00 177.10 176.36 2dic s VAL 31 N 1.38 1.91 0.03 1.60 -7.23 -1.26 -0.94 120.40 115.89 2dic s VAL 31 Ca -0.03 -2.02 -0.22 0.00 -1.81 0.00 0.00 61.98 57.90 2dic s VAL 31 Cb -0.17 -2.93 0.05 0.00 0.56 0.00 0.00 36.38 33.89 2dic s VAL 31 CO -0.08 -0.02 0.51 0.72 -0.31 0.00 0.00 175.10 175.92 2dic s PHE 32 N -2.78 -0.41 -0.04 2.82 -0.71 -1.18 0.36 117.98 116.05 2dic s PHE 32 Ca 0.35 0.49 -0.24 0.00 -1.04 0.00 0.00 56.93 56.48 2dic s PHE 32 Cb 0.09 0.32 -0.04 0.00 -1.21 0.00 0.00 43.02 42.18 2dic s PHE 32 CO 0.17 -0.61 0.74 0.99 -1.34 0.00 0.00 175.22 175.17 2dic s THR 33 N -2.25 4.96 -0.29 -4.49 2.01 0.21 -4.07 115.64 111.73 2dic s THR 33 Ca -0.06 1.54 -0.00 0.00 0.31 0.00 0.00 61.69 63.47 2dic s THR 33 Cb -0.01 -4.08 0.09 0.00 0.01 0.00 0.00 72.50 68.51 2dic s THR 33 CO -0.00 0.27 0.06 -0.69 -0.69 0.00 0.00 174.62 173.57 2dic s VAL 34 N 0.62 1.13 -0.22 3.82 1.01 -1.10 -1.28 120.40 124.38 2dic s VAL 34 Ca 0.39 -1.40 -0.13 0.00 0.00 0.00 0.00 61.98 60.84 2dic s VAL 34 Cb -0.19 -1.75 -0.04 0.00 0.00 0.00 0.00 36.38 34.40 2dic s VAL 34 CO 0.20 -0.52 0.28 -0.69 0.00 0.00 0.00 175.10 174.37 2dic s VAL 35 N 1.51 5.28 -0.44 2.92 1.01 -0.89 0.20 120.40 129.99 2dic s VAL 35 Ca 0.06 0.46 0.05 0.00 0.00 0.00 0.00 61.98 62.54 2dic s VAL 35 Cb -0.18 -3.62 0.43 0.00 0.00 0.00 0.00 36.38 33.01 2dic s VAL 35 CO -0.18 0.30 1.28 0.35 0.00 0.00 0.00 175.10 176.85 2dic n THR 36 N 4.26 2.61 -1.48 3.92 -2.24 -1.26 -2.41 114.28 117.68 2dic n THR 36 Ca -0.12 -4.53 -0.14 0.00 -2.27 0.00 0.00 64.05 56.99 2dic n THR 36 Cb 0.52 -1.22 -0.12 0.00 -2.10 0.00 0.00 70.33 67.41 2dic n THR 36 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2dic n ARG 37 N -0.59 0.24 -2.63 -0.78 1.74 -1.26 -1.48 116.66 111.90 2dic n ARG 37 Ca 0.43 -0.63 -0.21 0.00 -0.77 0.00 0.00 57.85 56.68 2dic n ARG 37 Cb 0.72 -2.59 0.01 0.00 -1.02 0.00 0.00 32.46 29.58 2dic n ARG 37 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2dic n GLY 38 N 6.01 -0.46 0.28 -0.13 0.00 -1.26 -4.88 105.19 104.76 2dic n GLY 38 Ca 0.47 0.01 0.05 0.00 0.00 0.00 0.00 46.02 46.55 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 0.95 1.06 0.00 4.61 0.00 -1.52 -3.44 119.26 120.91 2dic h ALA 39 Ca -0.49 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2dic h ALA 39 Cb 1.35 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.25 2dic h ALA 39 CO 0.55 -0.23 0.00 0.41 0.00 0.00 0.00 179.25 179.98 2dic n GLY 40 N -1.33 -0.48 3.71 0.00 0.00 -1.26 0.15 105.19 105.98 2dic n GLY 40 Ca 0.14 0.18 -0.35 0.00 0.00 0.00 0.00 46.02 45.99 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 0.00 4.77 0.60 -0.61 1.01 -1.26 -4.88 121.20 120.83 2dic s ILE 41 Ca 0.00 -0.06 -0.18 0.00 0.00 0.00 0.00 60.65 60.41 2dic s ILE 41 Cb 0.00 -3.08 -0.15 0.00 0.01 0.00 0.00 42.46 39.25 2dic s ILE 41 CO 0.00 0.56 -0.23 0.61 0.00 0.00 0.00 174.94 175.88 2dic n GLY 42 N 2.61 -3.44 0.00 6.18 0.00 -1.26 -3.72 105.19 105.56 2dic n GLY 42 Ca -0.18 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.54 2dic n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dic n GLY 43 N 2.67 0.23 3.75 -0.02 0.00 -1.26 -4.26 105.19 106.30 2dic n GLY 43 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 2dic n GLY 43 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2dic s LEU 44 N 0.00 4.53 -0.38 0.99 2.96 -1.26 0.11 118.68 125.63 2dic s LEU 44 Ca 0.00 1.62 0.01 0.00 -0.22 0.00 0.00 54.13 55.54 2dic s LEU 44 Cb 0.00 -3.34 0.13 0.00 0.50 0.00 0.00 46.19 43.48 2dic s LEU 44 CO 0.00 0.09 0.21 -0.83 -1.32 0.00 0.00 176.35 174.50 2dic s GLY 45 N -0.54 1.17 -0.23 7.98 0.00 0.91 -4.96 107.32 111.64 2dic s GLY 45 Ca 0.39 -2.11 -0.15 0.00 0.00 0.00 0.00 44.72 42.86 2dic s GLY 45 CO 0.26 1.85 0.35 -0.42 0.00 0.00 0.00 173.10 175.14 2dic s ILE 46 N 0.86 5.22 0.10 0.90 1.01 -1.26 -2.62 121.20 125.42 2dic s ILE 46 Ca 0.17 0.57 0.01 0.00 0.00 0.00 0.00 60.65 61.39 2dic s ILE 46 Cb -0.23 -3.68 -0.04 0.00 0.01 0.00 0.00 42.46 38.52 2dic s ILE 46 CO -0.02 0.23 -0.03 0.42 0.00 0.00 0.00 174.94 175.54 2dic s THR 47 N 1.54 0.49 -0.07 2.92 -4.23 0.48 -4.99 115.64 111.79 2dic s THR 47 Ca 0.16 -1.91 0.01 0.00 -1.18 0.00 0.00 61.69 58.77 2dic s THR 47 Cb -0.15 -1.76 0.02 0.00 1.34 0.00 0.00 72.50 71.95 2dic s THR 47 CO 0.08 -0.79 -0.09 -0.69 -0.54 0.00 0.00 174.62 172.59 2dic s VAL 48 N -3.76 0.95 0.13 2.29 1.01 -1.26 -0.15 120.40 119.61 2dic s VAL 48 Ca 0.14 -0.34 0.10 0.00 0.00 0.00 0.00 61.98 61.88 2dic s VAL 48 Cb 0.06 -0.91 -0.04 0.00 0.00 0.00 0.00 36.38 35.49 2dic s VAL 48 CO -0.04 0.32 -0.20 -1.61 0.00 0.00 0.00 175.10 173.58 2dic s GLU 49 N 0.97 1.70 0.00 2.72 0.41 -1.20 -4.59 118.70 118.70 2dic s GLU 49 Ca -0.09 -1.26 0.00 0.00 -0.41 0.00 0.00 54.97 53.20 2dic s GLU 49 Cb -0.15 -2.04 0.00 0.00 -1.78 0.00 0.00 34.13 30.16 2dic s GLU 49 CO 0.00 0.46 0.00 0.41 -0.49 0.00 0.00 175.26 175.64 2dic n GLY 50 N 0.69 -0.85 0.00 -1.39 0.00 -1.26 -2.13 105.19 100.24 2dic n GLY 50 Ca -0.15 -0.84 0.06 0.00 0.00 0.00 0.00 46.02 45.09 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 0.49 -3.54 1.61 -0.04 -1.26 -4.72 135.00 127.54 2dic n PRO 51 Ca 0.00 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.31 2dic n PRO 51 Cb 0.00 -1.39 -0.06 0.00 -0.04 0.00 0.00 33.50 32.02 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 -1.89 -0.54 -0.21 3.54 1.04 -1.26 -4.93 113.70 109.45 2dic s SER 52 Ca 0.18 0.59 -0.29 0.00 0.48 0.00 0.00 55.95 56.91 2dic s SER 52 Cb 0.08 0.45 -0.00 0.00 0.10 0.00 0.00 66.02 66.65 2dic s SER 52 CO 0.14 -0.50 1.18 -0.70 0.98 0.00 0.00 173.24 174.34 2dic s GLU 53 N -1.16 4.19 0.09 4.02 2.12 -1.26 -4.78 118.70 121.92 2dic s GLU 53 Ca -0.07 1.47 -0.15 0.00 0.36 0.00 0.00 54.97 56.58 2dic s GLU 53 Cb -0.00 -3.74 -0.06 0.00 0.26 0.00 0.00 34.13 30.59 2dic s GLU 53 CO 0.07 -0.75 0.50 -1.12 -0.54 0.00 0.00 175.26 173.42 2dic s SER 54 N 1.81 6.84 -0.86 -1.70 0.01 -1.26 -4.54 113.70 113.99 2dic s SER 54 Ca 0.51 1.05 -0.25 0.00 1.31 0.00 0.00 55.95 58.56 2dic s SER 54 Cb -0.18 -2.28 0.03 0.00 0.21 0.00 0.00 66.02 63.80 2dic s SER 54 CO 0.13 0.19 1.42 -0.54 0.41 0.00 0.00 173.24 174.85 2dic s LYS 55 N -1.60 3.29 0.25 12.44 1.02 -0.51 -4.74 119.74 129.90 2dic s LYS 55 Ca 0.32 -0.57 -0.13 0.00 0.02 0.00 0.00 55.97 55.62 2dic s LYS 55 Cb -0.16 -4.74 -0.08 0.00 -0.52 0.00 0.00 37.83 32.33 2dic s LYS 55 CO 0.18 -2.27 0.64 0.42 -0.92 0.00 0.00 175.35 173.39 2dic s ILE 56 N 5.84 4.79 -0.22 2.17 1.01 -1.26 -2.45 121.20 131.09 2dic s ILE 56 Ca 0.43 0.78 -0.04 0.00 0.00 0.00 0.00 60.65 61.82 2dic s ILE 56 Cb -0.05 -3.65 0.11 0.00 0.01 0.00 0.00 42.46 38.89 2dic s ILE 56 CO 0.04 -0.05 0.38 0.20 0.00 0.00 0.00 174.94 175.51 2dic s ASN 57 N -2.18 0.08 -0.13 3.58 0.01 0.11 -4.97 114.94 111.44 2dic s ASN 57 Ca 0.48 0.51 -0.08 0.00 -0.71 0.00 0.00 52.86 53.06 2dic s ASN 57 Cb -0.12 1.17 -0.04 0.00 0.41 0.00 0.00 41.25 42.67 2dic s ASN 57 CO 0.19 -0.27 0.16 0.00 -1.51 0.00 0.00 177.10 175.67 2dic s ARG 59 N -0.66 1.42 -0.20 0.00 0.52 -0.13 -5.03 118.95 114.88 2dic s ARG 59 Ca 0.14 -1.44 -0.17 0.00 -0.52 0.00 0.00 55.73 53.74 2dic s ARG 59 Cb -0.12 -1.73 -0.04 0.00 0.52 0.00 0.00 34.95 33.58 2dic s ARG 59 CO 0.03 0.38 0.47 0.34 0.02 0.00 0.00 175.30 176.54 2dic s ASP 60 N -2.47 6.52 -0.23 0.23 2.15 -1.26 -3.43 116.67 118.17 2dic s ASP 60 Ca 0.17 0.62 -0.10 0.00 0.43 0.00 0.00 52.55 53.67 2dic s ASP 60 Cb -0.08 -2.27 -0.05 0.00 -0.30 0.00 0.00 42.92 40.22 2dic s ASP 60 CO 0.08 -0.13 0.15 0.20 -0.17 0.00 0.00 175.17 175.30 2dic s ASN 61 N 1.08 6.12 -0.33 -0.34 0.01 -1.26 -4.98 114.94 115.25 2dic s ASN 61 Ca 0.22 0.14 -0.02 0.00 -0.71 0.00 0.00 52.86 52.48 2dic s ASN 61 Cb -0.15 -2.10 0.11 0.00 0.41 0.00 0.00 41.25 39.52 2dic s ASN 61 CO 0.09 0.09 2.41 1.17 -1.51 0.00 0.00 177.10 179.36 2dic n LYS 62 N 4.11 2.00 0.09 -0.60 3.00 -1.26 -4.18 118.16 121.31 2dic n LYS 62 Ca -0.15 -1.73 0.00 0.00 -0.00 0.00 0.00 58.31 56.43 2dic n LYS 62 Cb 0.52 -1.81 0.00 0.00 0.00 0.00 0.00 35.03 33.74 2dic n LYS 62 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2dic n ASP 63 N 0.76 0.10 0.00 3.14 8.00 -1.26 -5.08 116.55 122.21 2dic n ASP 63 Ca 0.36 0.30 0.00 0.00 0.71 0.00 0.00 54.79 56.16 2dic n ASP 63 Cb 0.59 0.17 0.00 0.00 -0.02 0.00 0.00 41.12 41.86 2dic n ASP 63 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dic n GLY 64 N 2.01 0.00 2.63 0.44 0.00 -1.26 -5.18 105.19 103.84 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 -1.31 -4.01 1.61 3.41 -1.26 -4.36 113.62 107.70 2dic n SER 65 Ca 0.00 -1.77 -0.21 0.00 -0.26 0.00 0.00 58.87 56.64 2dic n SER 65 Cb 0.00 2.15 -0.15 0.00 -0.26 0.00 0.00 64.21 65.95 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 0.13 4.64 -0.11 0.00 0.01 -1.22 -2.73 113.70 114.42 2dic s SER 67 Ca -0.02 -0.45 0.01 0.00 1.31 0.00 0.00 55.95 56.80 2dic s SER 67 Cb -0.08 -1.80 0.02 0.00 0.21 0.00 0.00 66.02 64.37 2dic s SER 67 CO 0.00 -0.07 -0.14 0.00 0.41 0.00 0.00 173.24 173.45 2dic s ALA 68 N 1.50 1.66 -0.01 1.44 0.00 -1.26 -0.96 121.76 124.14 2dic s ALA 68 Ca 0.05 -0.72 0.07 0.00 0.00 0.00 0.00 51.96 51.35 2dic s ALA 68 Cb -0.15 -0.85 -0.02 0.00 0.00 0.00 0.00 23.12 22.10 2dic s ALA 68 CO -0.01 -0.13 -0.22 -1.83 0.00 0.00 0.00 175.76 173.57 2dic s GLU 69 N 1.09 1.78 0.05 0.00 -1.05 -0.73 -3.07 118.70 116.77 2dic s GLU 69 Ca -0.05 -0.83 0.01 0.00 -0.15 0.00 0.00 54.97 53.96 2dic s GLU 69 Cb -0.14 -1.74 -0.03 0.00 -0.44 0.00 0.00 34.13 31.77 2dic s GLU 69 CO -0.03 0.47 -0.06 1.52 0.95 0.00 0.00 175.26 178.11 2dic s TYR 70 N -0.56 0.61 -0.24 4.83 1.13 -0.12 0.09 117.35 123.10 2dic s TYR 70 Ca 0.09 -0.67 -0.04 0.00 -1.41 0.00 0.00 57.07 55.04 2dic s TYR 70 Cb -0.09 -0.38 0.09 0.00 -1.10 0.00 0.00 41.96 40.48 2dic s TYR 70 CO -0.00 -0.16 0.16 0.42 -2.51 0.00 0.00 175.55 173.46 2dic s ILE 71 N -2.19 -0.18 1.11 -3.49 1.01 -1.02 -1.47 121.20 114.96 2dic s ILE 71 Ca -0.04 -0.40 -0.16 0.00 0.00 0.00 0.00 60.65 60.04 2dic s ILE 71 Cb -0.05 -0.79 0.24 0.00 0.01 0.00 0.00 42.46 41.87 2dic s ILE 71 CO -0.02 -0.45 1.10 -2.16 0.00 0.00 0.00 174.94 173.41 2dic s PRO 72 N 2.20 -0.47 0.00 2.79 0.04 -1.26 -1.43 135.00 136.87 2dic s PRO 72 Ca 0.07 0.20 0.00 0.00 0.04 0.00 0.00 61.00 61.30 2dic s PRO 72 Cb -0.16 -1.66 0.00 0.00 0.04 0.00 0.00 34.50 32.72 2dic s PRO 72 CO -0.23 -3.27 0.00 1.19 0.04 0.00 0.00 177.00 174.74 2dic n PHE 73 N -4.49 0.00 -3.83 0.56 3.01 -1.26 -1.10 117.46 110.34 2dic n PHE 73 Ca 0.09 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.43 2dic n PHE 73 Cb 0.58 0.00 -0.12 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 -0.73 -0.38 0.29 4.37 0.00 -1.26 -4.78 121.76 119.26 2dic s ALA 74 Ca 0.00 0.29 -0.29 0.00 0.00 0.00 0.00 51.96 51.96 2dic s ALA 74 Cb 0.00 -0.16 -0.10 0.00 0.00 0.00 0.00 23.12 22.86 2dic s ALA 74 CO 0.00 -0.11 1.24 -1.25 0.00 0.00 0.00 175.76 175.64 2dic s PRO 75 N -0.32 4.45 0.00 0.00 0.04 -1.26 -4.84 135.00 133.08 2dic s PRO 75 Ca -0.04 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.05 2dic s PRO 75 Cb -0.03 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 31.38 2dic s PRO 75 CO 0.01 -0.08 0.00 0.41 0.04 0.00 0.00 177.00 177.38 2dic n GLY 76 N 1.26 -2.14 3.67 0.56 0.00 -0.52 -4.96 105.19 103.06 2dic n GLY 76 Ca 0.01 -1.27 -0.39 0.00 0.00 0.00 0.00 46.02 44.37 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 -2.00 6.60 0.32 1.61 1.11 -1.26 -1.57 116.67 121.48 2dic s ASP 77 Ca 0.00 0.72 0.09 0.00 0.18 0.00 0.00 52.55 53.54 2dic s ASP 77 Cb 0.00 -2.30 -0.05 0.00 1.07 0.00 0.00 42.92 41.64 2dic s ASP 77 CO 0.00 -0.18 0.07 -0.31 1.18 0.00 0.00 175.17 175.93 2dic s TYR 78 N 1.57 2.66 -0.32 4.23 1.51 -1.18 -4.67 117.35 121.15 2dic s TYR 78 Ca 0.25 -0.36 0.00 0.00 -1.01 0.00 0.00 57.07 55.96 2dic s TYR 78 Cb -0.15 -1.48 0.10 0.00 -0.11 0.00 0.00 41.96 40.31 2dic s TYR 78 CO 0.10 0.45 0.08 -0.51 -1.11 0.00 0.00 175.55 174.56 2dic s ASP 79 N -3.76 4.21 -0.53 2.29 1.01 -0.91 -2.66 116.67 116.31 2dic s ASP 79 Ca 0.35 -1.76 -0.27 0.00 0.71 0.00 0.00 52.55 51.58 2dic s ASP 79 Cb -0.03 -1.06 -0.01 0.00 1.01 0.00 0.00 42.92 42.84 2dic s ASP 79 CO 0.21 -0.40 1.66 -0.69 0.21 0.00 0.00 175.17 176.15 2dic s VAL 80 N 1.44 3.56 -0.22 -1.27 1.01 -1.05 -3.25 120.40 120.62 2dic s VAL 80 Ca 0.10 0.45 -0.23 0.00 0.00 0.00 0.00 61.98 62.30 2dic s VAL 80 Cb -0.18 -4.09 -0.01 0.00 0.00 0.00 0.00 36.38 32.10 2dic s VAL 80 CO -0.21 -0.92 0.77 0.20 0.00 0.00 0.00 175.10 174.94 2dic s ASN 81 N 6.14 6.80 -0.13 3.32 0.01 0.78 -1.80 114.94 130.07 2dic s ASN 81 Ca 0.63 0.99 -0.00 0.00 -0.71 0.00 0.00 52.86 53.77 2dic s ASN 81 Cb -0.14 -2.41 0.02 0.00 0.41 0.00 0.00 41.25 39.14 2dic s ASN 81 CO 0.25 -0.43 -0.10 -0.63 -1.51 0.00 0.00 177.10 174.68 2dic s ILE 82 N 2.48 1.22 -0.03 0.60 1.01 -1.26 -0.38 121.20 124.84 2dic s ILE 82 Ca 0.33 -0.42 0.04 0.00 0.00 0.00 0.00 60.65 60.60 2dic s ILE 82 Cb -0.16 -1.20 -0.00 0.00 0.01 0.00 0.00 42.46 41.11 2dic s ILE 82 CO 0.09 0.39 -0.14 0.42 0.00 0.00 0.00 174.94 175.71 2dic s THR 83 N 1.63 1.13 -0.22 2.92 -4.23 -1.08 -2.59 115.64 113.21 2dic s THR 83 Ca 0.05 -0.57 -0.04 0.00 -1.18 0.00 0.00 61.69 59.94 2dic s THR 83 Cb -0.13 -0.97 -0.01 0.00 1.34 0.00 0.00 72.50 72.73 2dic s THR 83 CO -0.09 0.33 -0.03 -0.47 -0.54 0.00 0.00 174.62 173.82 2dic s TYR 84 N -0.02 2.98 0.00 3.99 5.04 -0.36 -0.06 117.35 128.91 2dic s TYR 84 Ca -0.01 -0.81 0.00 0.00 -2.44 0.00 0.00 57.07 53.81 2dic s TYR 84 Cb -0.09 -2.11 0.00 0.00 0.35 0.00 0.00 41.96 40.11 2dic s TYR 84 CO 0.01 -0.48 0.00 0.41 -1.34 0.00 0.00 175.55 174.15 2dic n GLY 85 N 4.71 1.03 0.46 8.97 0.00 0.29 -2.50 105.19 118.16 2dic n GLY 85 Ca -0.18 -0.01 -0.01 0.00 0.00 0.00 0.00 46.02 45.82 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 0.23 3.18 -0.02 0.00 -1.26 -4.82 105.19 102.50 2dic n GLY 86 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 0.95 -0.23 4.61 0.00 -1.04 -5.14 121.76 120.90 2dic s ALA 87 Ca 0.00 -1.54 -0.12 0.00 0.00 0.00 0.00 51.96 50.30 2dic s ALA 87 Cb 0.00 1.07 -0.05 0.00 0.00 0.00 0.00 23.12 24.14 2dic s ALA 87 CO 0.00 -0.53 0.25 -1.01 0.00 0.00 0.00 175.76 174.47 2dic s HIS 88 N -4.09 3.33 0.63 0.00 0.09 -1.26 -1.22 115.29 112.76 2dic s HIS 88 Ca 0.30 0.36 -0.18 0.00 -0.00 0.00 0.00 55.06 55.53 2dic s HIS 88 Cb 0.07 -2.37 -0.02 0.00 -0.00 0.00 0.00 32.58 30.26 2dic s HIS 88 CO 0.06 0.02 1.21 0.96 -0.00 0.00 0.00 174.74 176.99 2dic s ILE 89 N 1.21 2.55 -0.93 0.60 -4.36 -1.07 -4.88 121.20 114.32 2dic s ILE 89 Ca 0.12 0.32 -0.24 0.00 -0.26 0.00 0.00 60.65 60.59 2dic s ILE 89 Cb -0.14 -3.06 -0.05 0.00 1.25 0.00 0.00 42.46 40.45 2dic s ILE 89 CO 0.06 -0.09 1.95 -2.16 0.24 0.00 0.00 174.94 174.94 2dic s PRO 90 N -3.48 2.55 0.00 0.37 0.04 -1.26 -2.61 135.00 130.61 2dic s PRO 90 Ca 0.77 -0.38 0.00 0.00 0.04 0.00 0.00 61.00 61.42 2dic s PRO 90 Cb -0.30 -5.08 0.00 0.00 0.04 0.00 0.00 34.50 29.16 2dic s PRO 90 CO 0.36 -3.45 0.00 0.41 0.04 0.00 0.00 177.00 174.36 2dic n GLY 91 N 6.74 0.27 3.88 0.56 0.00 -1.26 -5.05 105.19 110.33 2dic n GLY 91 Ca 0.41 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.15 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 6.02 0.49 1.61 0.15 -1.07 -3.72 113.70 117.18 2dic s SER 92 Ca 0.00 0.09 -0.22 0.00 0.70 0.00 0.00 55.95 56.52 2dic s SER 92 Cb 0.00 -1.74 -0.07 0.00 -1.71 0.00 0.00 66.02 62.50 2dic s SER 92 CO 0.00 0.10 1.15 -2.16 1.20 0.00 0.00 173.24 173.53 2dic s PRO 93 N -2.92 3.61 -0.45 5.44 0.04 -1.26 -4.88 135.00 134.58 2dic s PRO 93 Ca 0.33 1.71 -0.17 0.00 0.04 0.00 0.00 61.00 62.91 2dic s PRO 93 Cb -0.11 -2.26 0.04 0.00 0.04 0.00 0.00 34.50 32.21 2dic s PRO 93 CO 0.26 -0.66 0.47 -0.06 0.04 0.00 0.00 177.00 177.05 2dic s PHE 94 N -1.63 3.16 0.11 0.56 0.40 -0.74 -4.77 117.98 115.07 2dic s PHE 94 Ca 0.67 -0.52 -0.31 0.00 -0.60 0.00 0.00 56.93 56.17 2dic s PHE 94 Cb -0.27 -3.08 -0.09 0.00 0.51 0.00 0.00 43.02 40.10 2dic s PHE 94 CO 0.32 -0.79 1.56 0.50 0.70 0.00 0.00 175.22 177.51 2dic s ARG 95 N 2.14 4.23 -0.12 0.44 3.00 -1.26 -2.52 118.95 124.87 2dic s ARG 95 Ca 0.11 2.27 -0.01 0.00 -1.00 0.00 0.00 55.73 57.10 2dic s ARG 95 Cb -0.19 -3.37 0.04 0.00 0.00 0.00 0.00 34.95 31.43 2dic s ARG 95 CO 0.12 -0.62 -0.01 0.08 0.00 0.00 0.00 175.30 174.87 2dic s VAL 96 N 1.79 0.57 -0.43 7.11 1.01 -1.09 -4.89 120.40 124.48 2dic s VAL 96 Ca 0.70 -0.17 -0.28 0.00 0.00 0.00 0.00 61.98 62.23 2dic s VAL 96 Cb -0.40 -0.80 -0.01 0.00 0.00 0.00 0.00 36.38 35.17 2dic s VAL 96 CO 0.31 0.15 1.75 -2.16 0.00 0.00 0.00 175.10 175.15 2dic s PRO 97 N 1.88 3.16 -0.50 2.72 0.04 -1.26 -3.13 135.00 137.90 2dic s PRO 97 Ca 0.03 1.09 -0.21 0.00 0.04 0.00 0.00 61.00 61.95 2dic s PRO 97 Cb -0.14 -4.23 0.04 0.00 0.04 0.00 0.00 34.50 30.22 2dic s PRO 97 CO -0.07 -2.08 0.70 0.08 0.04 0.00 0.00 177.00 175.68 2dic s VAL 98 N 7.32 4.75 0.40 -0.36 1.01 -0.61 -3.10 120.40 129.81 2dic s VAL 98 Ca 0.73 -0.14 0.01 0.00 0.00 0.00 0.00 61.98 62.58 2dic s VAL 98 Cb -0.18 -4.33 -0.01 0.00 0.00 0.00 0.00 36.38 31.86 2dic s VAL 98 CO 0.29 -0.82 0.61 -0.54 0.00 0.00 0.00 175.10 174.64 2dic s LYS 99 N 2.98 3.21 -0.18 2.72 1.02 -1.02 -1.44 119.74 127.04 2dic s LYS 99 Ca 0.21 -0.50 -0.03 0.00 0.02 0.00 0.00 55.97 55.67 2dic s LYS 99 Cb -0.16 -2.62 -0.02 0.00 -0.52 0.00 0.00 37.83 34.51 2dic s LYS 99 CO 0.16 -0.09 -0.05 0.16 -0.92 0.00 0.00 175.35 174.61 2dic s ASP 100 N -4.15 4.49 0.21 2.83 1.47 -1.26 -0.28 116.67 119.98 2dic s ASP 100 Ca 0.45 -0.27 -0.22 0.00 1.18 0.00 0.00 52.55 53.70 2dic s ASP 100 Cb -0.10 -1.74 0.14 0.00 -0.34 0.00 0.00 42.92 40.88 2dic s ASP 100 CO 0.36 0.08 1.55 0.58 0.68 0.00 0.00 175.17 178.43 2dic h VAL 101 N 5.43 0.02 -0.69 2.11 2.07 -1.98 -3.41 116.25 119.79 2dic h VAL 101 Ca -0.34 0.00 -0.59 0.00 0.82 0.00 0.00 66.70 66.58 2dic h VAL 101 Cb 1.18 0.02 0.02 0.00 -1.52 0.00 0.00 31.29 30.98 2dic h VAL 101 CO 0.60 0.00 0.34 0.55 0.02 0.00 0.00 177.57 179.08 2dic n VAL 102 N -5.41 0.00 -2.24 2.57 3.14 -1.26 -4.83 118.33 110.30 2dic n VAL 102 Ca 0.07 0.00 -0.37 0.00 -2.96 0.00 0.00 64.34 61.08 2dic n VAL 102 Cb 0.36 -0.24 -0.01 0.00 -1.06 0.00 0.00 33.84 32.89 2dic n VAL 102 CO 0.00 0.00 0.00 1.51 -6.46 0.00 0.00 176.83 171.88 2dic s ASP 103 N 1.44 6.20 0.34 6.55 1.47 -1.26 -4.99 116.67 126.42 2dic s ASP 103 Ca 0.70 2.34 -0.28 0.00 1.18 0.00 0.00 52.55 56.49 2dic s ASP 103 Cb -0.99 -2.61 -0.10 0.00 -0.34 0.00 0.00 42.92 38.88 2dic s ASP 103 CO 0.52 -0.90 1.22 -2.16 0.68 0.00 0.00 175.17 174.53 2dic s PRO 104 N -2.62 4.35 0.00 2.11 0.04 -1.26 -5.20 135.00 132.42 2dic s PRO 104 Ca 0.62 2.01 0.26 0.00 0.04 0.00 0.00 61.00 63.93 2dic s PRO 104 Cb -0.30 -3.00 0.56 0.00 0.04 0.00 0.00 34.50 31.81 2dic s PRO 104 CO 0.36 -0.12 1.47 -1.13 0.04 0.00 0.00 177.00 177.63