#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dic n SER 2 N 0.00 1.08 -4.01 1.61 2.88 -1.26 -4.90 113.62 109.02 2dic n SER 2 Ca 0.00 0.97 -0.31 0.00 -1.33 0.00 0.00 58.87 58.20 2dic n SER 2 Cb 0.00 -0.90 -0.15 0.00 -0.75 0.00 0.00 64.21 62.41 2dic n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dic s SER 3 N 4.28 4.41 0.05 -3.46 0.15 -1.26 -4.90 113.70 112.96 2dic s SER 3 Ca 1.11 -1.62 -0.00 0.00 0.70 0.00 0.00 55.95 56.14 2dic s SER 3 Cb -1.47 -1.46 -0.00 0.00 -1.71 0.00 0.00 66.02 61.37 2dic s SER 3 CO 0.75 -0.27 -0.00 0.61 1.20 0.00 0.00 173.24 175.52 2dic n GLY 4 N 4.44 0.03 0.03 9.45 0.00 -1.26 -4.92 105.19 112.97 2dic n GLY 4 Ca -0.07 -0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.97 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 -3.01 1.48 -3.75 1.61 3.41 -1.26 -4.98 113.62 107.12 2dic n SER 5 Ca -0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.48 2dic n SER 5 Cb 0.00 1.36 -0.13 0.00 -0.26 0.00 0.00 64.21 65.18 2dic n SER 5 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2dic s SER 6 N -4.17 -0.24 0.06 4.04 1.04 -1.26 -5.07 113.70 108.11 2dic s SER 6 Ca -0.06 0.48 -0.33 0.00 0.48 0.00 0.00 55.95 56.52 2dic s SER 6 Cb 0.08 0.40 -0.19 0.00 0.10 0.00 0.00 66.02 66.40 2dic s SER 6 CO 0.62 -0.14 1.59 1.23 0.98 0.00 0.00 173.24 177.51 2dic h GLY 7 N 6.86 -1.03 -2.27 7.32 0.00 -1.93 -3.43 103.07 108.59 2dic h GLY 7 Ca -0.37 0.38 -0.22 0.00 0.00 0.00 0.00 47.33 47.12 2dic h GLY 7 CO 0.38 -0.37 -0.39 -0.32 0.00 0.00 0.00 176.54 175.83 2dic s GLY 8 N -2.08 1.29 0.39 4.60 0.00 -1.26 -4.77 107.32 105.49 2dic s GLY 8 Ca -0.18 -1.48 0.01 0.00 0.00 0.00 0.00 44.72 43.07 2dic s GLY 8 CO 0.61 -1.12 0.60 0.00 0.00 0.00 0.00 173.10 173.18 2dic s GLN 10 N -4.41 1.49 0.00 0.00 1.11 0.13 -4.94 119.66 113.03 2dic s GLN 10 Ca 0.44 -2.26 0.15 0.00 0.01 0.00 0.00 55.36 53.70 2dic s GLN 10 Cb -0.10 -2.52 0.74 0.00 -1.01 0.00 0.00 33.01 30.12 2dic s GLN 10 CO 0.36 -1.19 1.41 -0.35 0.01 0.00 0.00 175.29 175.54 2dic n PRO 11 N 3.24 0.20 0.04 2.91 -0.04 -1.26 -2.46 135.00 137.62 2dic n PRO 11 Ca 0.11 0.15 -0.11 0.00 -0.04 0.00 0.00 63.50 63.62 2dic n PRO 11 Cb 0.35 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.18 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 0.12 0.55 3.54 4.64 -1.92 -3.26 113.55 117.23 2dic h SER 12 Ca 0.00 -0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 2dic h SER 12 Cb 0.15 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 2dic h SER 12 CO 0.00 1.14 0.00 0.54 -0.87 0.00 0.00 176.83 177.64 2dic n ARG 13 N -3.30 0.02 -2.61 4.77 5.12 -1.03 -4.77 116.66 114.85 2dic n ARG 13 Ca -0.10 0.21 -0.34 0.00 -1.93 0.00 0.00 57.85 55.69 2dic n ARG 13 Cb 1.00 -1.50 -0.04 0.00 -1.16 0.00 0.00 32.46 30.76 2dic n ARG 13 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2dic s VAL 14 N -2.97 3.92 -0.00 1.55 1.01 -1.23 -4.67 120.40 118.02 2dic s VAL 14 Ca 0.09 1.26 0.00 0.00 0.00 0.00 0.00 61.98 63.33 2dic s VAL 14 Cb 0.11 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.95 2dic s VAL 14 CO 0.30 -0.20 0.00 -1.10 0.00 0.00 0.00 175.10 174.10 2dic s GLN 15 N -3.04 -0.00 -0.10 2.72 -0.21 -0.93 -4.84 119.66 113.26 2dic s GLN 15 Ca 0.64 0.03 0.01 0.00 0.02 0.00 0.00 55.36 56.06 2dic s GLN 15 Cb -0.16 -0.04 0.02 0.00 1.00 0.00 0.00 33.01 33.83 2dic s GLN 15 CO 0.20 -0.03 -0.12 0.00 -2.12 0.00 0.00 175.29 173.23 2dic s ALA 16 N 0.17 1.46 0.13 6.09 0.00 -1.26 -1.51 121.76 126.84 2dic s ALA 16 Ca -0.01 -0.59 -0.09 0.00 0.00 0.00 0.00 51.96 51.26 2dic s ALA 16 Cb -0.02 -0.80 -0.00 0.00 0.00 0.00 0.00 23.12 22.29 2dic s ALA 16 CO -0.00 -0.16 0.25 1.14 0.00 0.00 0.00 175.76 176.98 2dic s GLN 17 N 1.18 1.01 0.00 0.00 -2.07 -0.56 -5.01 119.66 114.21 2dic s GLN 17 Ca -0.04 -1.06 0.00 0.00 -1.82 0.00 0.00 55.36 52.44 2dic s GLN 17 Cb -0.14 0.37 0.00 0.00 -1.09 0.00 0.00 33.01 32.14 2dic s GLN 17 CO -0.03 -0.35 0.00 0.41 -1.32 0.00 0.00 175.29 174.00 2dic n GLY 18 N -0.15 0.85 0.23 2.60 0.00 -1.26 0.82 105.19 108.29 2dic n GLY 18 Ca -0.11 -2.10 -0.13 0.00 0.00 0.00 0.00 46.02 43.67 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 7.73 0.80 0.00 1.61 0.13 -1.86 -1.92 132.00 138.49 2dic h PRO 19 Ca 0.00 -0.42 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2dic h PRO 19 Cb 0.00 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.15 2dic h PRO 19 CO 0.00 1.05 0.16 0.41 -0.23 0.00 0.00 178.00 179.39 2dic n GLY 20 N 0.15 -0.61 0.04 1.56 0.00 0.04 0.10 105.19 106.48 2dic n GLY 20 Ca -0.03 0.10 -0.04 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.89 0.00 -0.07 0.99 4.77 -1.12 -4.72 117.00 114.96 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 0.17 0.20 -0.11 0.00 -2.33 0.00 0.00 43.42 41.35 2dic n LEU 21 CO 0.05 0.20 0.26 0.11 -1.33 0.00 0.00 177.39 176.68 2dic h LYS 22 N 0.00 0.00 -2.09 3.23 1.57 -0.31 -3.42 116.57 115.55 2dic h LYS 22 Ca -0.22 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.49 2dic h LYS 22 Cb 1.48 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 33.60 2dic h LYS 22 CO 0.01 0.89 0.15 -2.00 -0.57 0.00 0.00 179.45 177.93 2dic s GLU 23 N -2.16 1.02 0.29 3.15 2.12 0.12 -4.52 118.70 118.70 2dic s GLU 23 Ca -0.18 0.25 0.02 0.00 0.36 0.00 0.00 54.97 55.41 2dic s GLU 23 Cb -0.02 0.48 -0.03 0.00 0.26 0.00 0.00 34.13 34.82 2dic s GLU 23 CO 0.61 -0.31 0.28 0.00 -0.54 0.00 0.00 175.26 175.30 2dic s ALA 24 N -1.15 1.32 0.21 6.30 0.00 -1.20 -4.06 121.76 123.18 2dic s ALA 24 Ca -0.11 -1.79 0.00 0.00 0.00 0.00 0.00 51.96 50.07 2dic s ALA 24 Cb -0.01 1.37 -0.04 0.00 0.00 0.00 0.00 23.12 24.44 2dic s ALA 24 CO 0.09 -0.68 0.10 -0.06 0.00 0.00 0.00 175.76 175.22 2dic s PHE 25 N -3.63 1.28 -0.02 0.00 0.40 -1.26 -2.78 117.98 111.98 2dic s PHE 25 Ca 0.37 -1.27 -0.30 0.00 -0.60 0.00 0.00 56.93 55.14 2dic s PHE 25 Cb 0.03 -0.69 -0.03 0.00 0.51 0.00 0.00 43.02 42.84 2dic s PHE 25 CO 0.20 -0.48 0.98 0.95 0.70 0.00 0.00 175.22 177.58 2dic s THR 26 N -3.96 4.86 -1.57 0.64 -4.23 0.04 -3.49 115.64 107.93 2dic s THR 26 Ca 0.36 2.06 -0.04 0.00 -1.18 0.00 0.00 61.69 62.89 2dic s THR 26 Cb 0.07 -4.32 0.00 0.00 1.34 0.00 0.00 72.50 69.60 2dic s THR 26 CO 0.11 0.14 0.57 0.59 -0.54 0.00 0.00 174.62 175.49 2dic n ASN 27 N 4.06 -6.12 -4.23 3.99 5.03 -0.27 -4.60 115.26 113.12 2dic n ASN 27 Ca 0.06 -0.27 -0.25 0.00 0.87 0.00 0.00 54.58 55.00 2dic n ASN 27 Cb 0.51 -4.94 -0.14 0.00 -1.02 0.00 0.00 39.78 34.18 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 -5.65 1.34 -0.37 3.52 1.02 -1.23 -5.00 119.74 113.36 2dic s LYS 28 Ca 0.28 -0.89 -0.28 0.00 0.02 0.00 0.00 55.97 55.10 2dic s LYS 28 Cb -0.12 -1.42 -0.01 0.00 -0.52 0.00 0.00 37.83 35.75 2dic s LYS 28 CO 0.35 0.36 1.72 -1.25 -0.92 0.00 0.00 175.35 175.61 2dic s PRO 29 N -1.09 3.33 -0.21 -1.68 0.04 -1.26 -4.36 135.00 129.76 2dic s PRO 29 Ca 0.07 1.25 -0.02 0.00 0.04 0.00 0.00 61.00 62.34 2dic s PRO 29 Cb -0.08 -4.18 0.01 0.00 0.04 0.00 0.00 34.50 30.29 2dic s PRO 29 CO 0.01 -1.87 -0.11 -0.80 0.04 0.00 0.00 177.00 174.28 2dic s ASN 30 N 5.77 3.86 0.31 6.66 0.01 -0.61 -4.98 114.94 125.97 2dic s ASN 30 Ca 0.74 -0.58 0.06 0.00 -0.71 0.00 0.00 52.86 52.37 2dic s ASN 30 Cb -0.20 -1.63 -0.06 0.00 0.41 0.00 0.00 41.25 39.77 2dic s ASN 30 CO 0.32 -0.03 -0.01 0.68 -1.51 0.00 0.00 177.10 176.55 2dic s VAL 31 N 1.38 1.53 0.01 1.60 -7.23 -1.26 -0.84 120.40 115.58 2dic s VAL 31 Ca 0.04 -2.07 -0.18 0.00 -1.81 0.00 0.00 61.98 57.96 2dic s VAL 31 Cb -0.14 -2.64 0.03 0.00 0.56 0.00 0.00 36.38 34.20 2dic s VAL 31 CO -0.07 -0.16 0.41 0.72 -0.31 0.00 0.00 175.10 175.68 2dic s PHE 32 N -3.07 -0.28 -0.13 2.82 -0.71 -1.19 -0.78 117.98 114.64 2dic s PHE 32 Ca 0.33 0.35 -0.21 0.00 -1.04 0.00 0.00 56.93 56.35 2dic s PHE 32 Cb 0.06 0.19 -0.03 0.00 -1.21 0.00 0.00 43.02 42.03 2dic s PHE 32 CO 0.14 -0.51 0.63 0.99 -1.34 0.00 0.00 175.22 175.14 2dic s THR 33 N -1.87 5.06 -0.28 -4.49 2.01 0.24 -3.92 115.64 112.39 2dic s THR 33 Ca -0.09 1.26 0.03 0.00 0.31 0.00 0.00 61.69 63.20 2dic s THR 33 Cb -0.02 -3.96 0.07 0.00 0.01 0.00 0.00 72.50 68.59 2dic s THR 33 CO 0.02 0.21 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.41 2dic s VAL 34 N 1.19 2.27 -0.34 3.82 1.01 -0.97 -1.50 120.40 125.87 2dic s VAL 34 Ca 0.32 -1.80 -0.20 0.00 0.00 0.00 0.00 61.98 60.30 2dic s VAL 34 Cb -0.16 -2.42 -0.00 0.00 0.00 0.00 0.00 36.38 33.79 2dic s VAL 34 CO 0.14 -0.18 0.62 -0.69 0.00 0.00 0.00 175.10 174.98 2dic s VAL 35 N 1.06 4.91 -0.27 2.92 1.01 -0.57 -1.60 120.40 127.87 2dic s VAL 35 Ca -0.04 0.61 0.09 0.00 0.00 0.00 0.00 61.98 62.65 2dic s VAL 35 Cb -0.20 -4.05 0.45 0.00 0.00 0.00 0.00 36.38 32.58 2dic s VAL 35 CO -0.05 -0.27 1.20 0.35 0.00 0.00 0.00 175.10 176.32 2dic n THR 36 N 5.53 2.38 -2.72 3.92 -2.24 -1.26 -2.18 114.28 117.71 2dic n THR 36 Ca -0.02 -3.89 -0.42 0.00 -2.27 0.00 0.00 64.05 57.45 2dic n THR 36 Cb 0.49 -0.81 -0.02 0.00 -2.10 0.00 0.00 70.33 67.89 2dic n THR 36 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2dic s ARG 37 N -3.47 3.66 0.00 -0.78 1.81 -1.26 -3.76 118.95 115.15 2dic s ARG 37 Ca 0.47 -1.53 0.00 0.00 -1.72 0.00 0.00 55.73 52.95 2dic s ARG 37 Cb 0.40 -5.20 0.00 0.00 -0.45 0.00 0.00 34.95 29.70 2dic s ARG 37 CO 0.01 -2.03 0.00 0.41 -0.68 0.00 0.00 175.30 173.01 2dic n GLY 38 N 6.06 3.61 0.36 -3.53 0.00 -1.26 -4.99 105.19 105.43 2dic n GLY 38 Ca 0.31 -0.85 -0.04 0.00 0.00 0.00 0.00 46.02 45.44 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 0.00 -0.29 0.00 4.61 0.00 -1.25 -4.78 120.51 118.81 2dic n ALA 39 Ca 0.00 0.85 0.00 0.00 0.00 0.00 0.00 53.44 54.29 2dic n ALA 39 Cb 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 19.45 19.15 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 -1.35 -0.29 2.62 0.00 0.00 -1.26 0.18 105.19 105.09 2dic n GLY 40 Ca 0.06 -1.10 -0.29 0.00 0.00 0.00 0.00 46.02 44.69 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 -3.38 0.74 0.00 -0.61 1.01 -1.26 -5.02 121.20 112.68 2dic s ILE 41 Ca 0.00 -1.84 0.00 0.00 0.00 0.00 0.00 60.65 58.81 2dic s ILE 41 Cb 0.00 -1.54 0.00 0.00 0.01 0.00 0.00 42.46 40.93 2dic s ILE 41 CO 0.00 -0.86 0.00 0.61 0.00 0.00 0.00 174.94 174.69 2dic n GLY 42 N 4.18 4.73 3.20 6.18 0.00 -1.26 -5.06 105.19 117.16 2dic n GLY 42 Ca 0.06 -0.86 -0.34 0.00 0.00 0.00 0.00 46.02 44.87 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 1.61 0.33 -0.02 0.00 -1.26 -4.86 107.32 103.12 2dic s GLY 43 Ca 0.00 -1.42 -0.17 0.00 0.00 0.00 0.00 44.72 43.13 2dic s GLY 43 CO 0.00 0.49 0.79 -2.27 0.00 0.00 0.00 173.10 172.11 2dic s LEU 44 N 1.33 4.09 -0.29 0.66 2.96 -1.26 0.31 118.68 126.48 2dic s LEU 44 Ca 0.01 1.40 -0.03 0.00 -0.22 0.00 0.00 54.13 55.29 2dic s LEU 44 Cb -0.16 -4.10 0.11 0.00 0.50 0.00 0.00 46.19 42.53 2dic s LEU 44 CO -0.05 -0.20 0.15 -0.83 -1.32 0.00 0.00 176.35 174.10 2dic s GLY 45 N -2.14 0.43 -0.23 7.98 0.00 -0.05 -4.91 107.32 108.40 2dic s GLY 45 Ca 0.54 -1.04 -0.11 0.00 0.00 0.00 0.00 44.72 44.12 2dic s GLY 45 CO 0.17 2.14 0.17 -0.42 0.00 0.00 0.00 173.10 175.15 2dic s ILE 46 N 2.08 5.36 0.09 0.90 1.01 -1.26 -2.55 121.20 126.83 2dic s ILE 46 Ca 0.09 0.21 0.02 0.00 0.00 0.00 0.00 60.65 60.97 2dic s ILE 46 Cb -0.16 -3.50 -0.04 0.00 0.01 0.00 0.00 42.46 38.77 2dic s ILE 46 CO -0.35 0.36 -0.07 0.42 0.00 0.00 0.00 174.94 175.30 2dic s THR 47 N 0.91 0.69 -0.08 2.92 -4.23 0.71 -5.00 115.64 111.56 2dic s THR 47 Ca 0.08 -1.71 0.03 0.00 -1.18 0.00 0.00 61.69 58.92 2dic s THR 47 Cb -0.13 -1.40 0.01 0.00 1.34 0.00 0.00 72.50 72.32 2dic s THR 47 CO 0.03 -0.72 -0.18 -0.69 -0.54 0.00 0.00 174.62 172.52 2dic s VAL 48 N -2.97 1.60 -0.04 2.29 1.01 -1.26 0.75 120.40 121.78 2dic s VAL 48 Ca 0.06 -0.76 0.07 0.00 0.00 0.00 0.00 61.98 61.35 2dic s VAL 48 Cb 0.01 -1.40 -0.01 0.00 0.00 0.00 0.00 36.38 34.97 2dic s VAL 48 CO -0.03 0.46 -0.24 -1.61 0.00 0.00 0.00 175.10 173.68 2dic s GLU 49 N 0.44 2.21 0.00 2.72 2.02 -1.08 -4.66 118.70 120.35 2dic s GLU 49 Ca -0.15 -0.86 0.00 0.00 0.02 0.00 0.00 54.97 53.98 2dic s GLU 49 Cb -0.16 -1.99 0.00 0.00 0.10 0.00 0.00 34.13 32.08 2dic s GLU 49 CO 0.06 0.43 0.00 0.41 0.02 0.00 0.00 175.26 176.18 2dic n GLY 50 N 2.75 1.13 0.00 -1.39 0.00 -1.26 -0.78 105.19 105.64 2dic n GLY 50 Ca -0.17 -0.72 0.06 0.00 0.00 0.00 0.00 46.02 45.19 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 -3.55 1.61 -0.04 -1.26 -4.71 135.00 127.53 2dic n PRO 51 Ca 0.00 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.32 2dic n PRO 51 Cb 0.00 -1.36 -0.06 0.00 -0.04 0.00 0.00 33.50 32.04 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 -1.86 -0.52 -0.14 3.54 1.04 -1.26 -4.90 113.70 109.60 2dic s SER 52 Ca 0.17 0.59 -0.29 0.00 0.48 0.00 0.00 55.95 56.90 2dic s SER 52 Cb 0.08 0.46 -0.02 0.00 0.10 0.00 0.00 66.02 66.64 2dic s SER 52 CO 0.13 -0.46 1.26 -0.70 0.98 0.00 0.00 173.24 174.45 2dic s GLU 53 N -1.07 4.25 -0.00 4.02 2.12 -1.26 -4.75 118.70 122.01 2dic s GLU 53 Ca -0.06 1.67 -0.13 0.00 0.36 0.00 0.00 54.97 56.82 2dic s GLU 53 Cb -0.00 -3.73 -0.05 0.00 0.26 0.00 0.00 34.13 30.60 2dic s GLU 53 CO 0.05 -0.66 0.37 -1.12 -0.54 0.00 0.00 175.26 173.36 2dic s SER 54 N 1.90 6.72 -0.78 -1.70 0.01 -1.26 -4.46 113.70 114.12 2dic s SER 54 Ca 0.55 0.86 -0.26 0.00 1.31 0.00 0.00 55.95 58.41 2dic s SER 54 Cb -0.22 -2.21 0.03 0.00 0.21 0.00 0.00 66.02 63.83 2dic s SER 54 CO 0.16 0.31 1.33 -0.54 0.41 0.00 0.00 173.24 174.92 2dic s LYS 55 N -1.23 3.23 0.23 12.44 1.02 -0.75 -4.76 119.74 129.92 2dic s LYS 55 Ca 0.24 -0.36 -0.11 0.00 0.02 0.00 0.00 55.97 55.76 2dic s LYS 55 Cb -0.15 -4.39 -0.07 0.00 -0.52 0.00 0.00 37.83 32.69 2dic s LYS 55 CO 0.13 -2.19 0.57 0.42 -0.92 0.00 0.00 175.35 173.36 2dic s ILE 56 N 5.76 4.89 -0.21 2.17 1.01 -1.26 -2.57 121.20 130.99 2dic s ILE 56 Ca 0.38 0.58 -0.04 0.00 0.00 0.00 0.00 60.65 61.57 2dic s ILE 56 Cb -0.07 -3.63 0.11 0.00 0.01 0.00 0.00 42.46 38.88 2dic s ILE 56 CO 0.11 -0.04 0.32 0.20 0.00 0.00 0.00 174.94 175.53 2dic s ASN 57 N -2.25 0.57 0.53 3.58 0.01 0.59 -4.98 114.94 112.99 2dic s ASN 57 Ca 0.47 0.20 -0.20 0.00 -0.71 0.00 0.00 52.86 52.61 2dic s ASN 57 Cb -0.12 0.85 -0.06 0.00 0.41 0.00 0.00 41.25 42.33 2dic s ASN 57 CO 0.20 -0.29 1.14 0.00 -1.51 0.00 0.00 177.10 176.64 2dic s ARG 59 N -3.21 0.12 0.01 0.00 3.52 0.96 -4.96 118.95 115.39 2dic s ARG 59 Ca 0.72 0.29 -0.26 0.00 -0.13 0.00 0.00 55.73 56.35 2dic s ARG 59 Cb -0.25 -0.62 -0.05 0.00 -1.56 0.00 0.00 34.95 32.47 2dic s ARG 59 CO 0.28 -0.31 0.79 0.16 -0.81 0.00 0.00 175.30 175.41 2dic s ASP 60 N 2.05 7.19 -0.12 -2.12 -4.77 -1.26 -2.11 116.67 115.53 2dic s ASP 60 Ca 0.04 1.43 -0.03 0.00 -3.30 0.00 0.00 52.55 50.69 2dic s ASP 60 Cb -0.12 -2.47 -0.03 0.00 -1.09 0.00 0.00 42.92 39.20 2dic s ASP 60 CO -0.04 -0.06 -0.01 0.20 0.70 0.00 0.00 175.17 175.96 2dic s ASN 61 N 0.32 5.11 -0.44 2.11 0.01 -1.25 -4.98 114.94 115.82 2dic s ASN 61 Ca 0.41 0.04 -0.02 0.00 -0.71 0.00 0.00 52.86 52.58 2dic s ASN 61 Cb -0.20 -1.60 0.23 0.00 0.41 0.00 0.00 41.25 40.09 2dic s ASN 61 CO 0.23 0.29 2.20 1.17 -1.51 0.00 0.00 177.10 179.48 2dic n LYS 62 N 2.73 2.15 0.08 -0.60 3.00 -1.26 -4.21 118.16 120.04 2dic n LYS 62 Ca -0.18 -2.16 0.00 0.00 -0.00 0.00 0.00 58.31 55.97 2dic n LYS 62 Cb 0.53 -1.90 0.00 0.00 0.00 0.00 0.00 35.03 33.67 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 0.20 0.24 0.00 3.14 9.92 -1.26 -5.07 116.55 123.71 2dic n ASP 63 Ca 0.42 0.25 0.00 0.00 -0.53 0.00 0.00 54.79 54.93 2dic n ASP 63 Cb 0.57 0.09 0.00 0.00 -0.64 0.00 0.00 41.12 41.13 2dic n ASP 63 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2dic n GLY 64 N 2.24 0.00 3.82 0.44 0.00 -1.26 -5.18 105.19 105.26 2dic n GLY 64 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 0.00 0.02 0.01 1.61 1.04 -1.26 -4.60 113.70 110.53 2dic s SER 65 Ca 0.00 -1.08 0.07 0.00 0.48 0.00 0.00 55.95 55.41 2dic s SER 65 Cb 0.00 0.78 -0.02 0.00 0.10 0.00 0.00 66.02 66.88 2dic s SER 65 CO 0.00 -1.56 -0.20 0.00 0.98 0.00 0.00 173.24 172.46 2dic s SER 67 N -0.82 2.71 -0.11 0.00 0.01 -0.90 -2.30 113.70 112.29 2dic s SER 67 Ca 0.07 -0.49 0.01 0.00 1.31 0.00 0.00 55.95 56.85 2dic s SER 67 Cb -0.08 -1.23 0.02 0.00 0.21 0.00 0.00 66.02 64.93 2dic s SER 67 CO 0.01 0.06 -0.13 0.00 0.41 0.00 0.00 173.24 173.59 2dic s ALA 68 N 0.78 1.53 -0.05 1.44 0.00 -1.25 -0.03 121.76 124.18 2dic s ALA 68 Ca -0.10 -0.64 0.04 0.00 0.00 0.00 0.00 51.96 51.27 2dic s ALA 68 Cb -0.16 -0.82 -0.02 0.00 0.00 0.00 0.00 23.12 22.12 2dic s ALA 68 CO 0.01 -0.16 -0.17 -1.83 0.00 0.00 0.00 175.76 173.61 2dic s GLU 69 N 1.16 2.48 0.03 0.00 -1.05 -1.03 -3.19 118.70 117.09 2dic s GLU 69 Ca -0.04 -0.75 -0.01 0.00 -0.15 0.00 0.00 54.97 54.03 2dic s GLU 69 Cb -0.14 -2.32 -0.03 0.00 -0.44 0.00 0.00 34.13 31.20 2dic s GLU 69 CO -0.03 0.58 -0.02 1.52 0.95 0.00 0.00 175.26 178.25 2dic s TYR 70 N -0.63 0.34 -0.21 4.83 1.13 -0.02 -0.30 117.35 122.49 2dic s TYR 70 Ca 0.09 -0.70 -0.04 0.00 -1.41 0.00 0.00 57.07 55.01 2dic s TYR 70 Cb -0.11 -0.25 0.08 0.00 -1.10 0.00 0.00 41.96 40.58 2dic s TYR 70 CO 0.01 -0.26 0.14 0.42 -2.51 0.00 0.00 175.55 173.34 2dic s ILE 71 N -2.29 -0.15 1.04 -3.49 1.01 -1.06 -1.57 121.20 114.70 2dic s ILE 71 Ca -0.08 -0.31 -0.13 0.00 0.00 0.00 0.00 60.65 60.12 2dic s ILE 71 Cb -0.04 -0.71 0.21 0.00 0.01 0.00 0.00 42.46 41.93 2dic s ILE 71 CO -0.04 -0.38 1.10 -2.16 0.00 0.00 0.00 174.94 173.46 2dic s PRO 72 N 2.18 0.08 0.00 2.79 0.04 -1.26 -1.80 135.00 137.03 2dic s PRO 72 Ca 0.05 0.40 0.00 0.00 0.04 0.00 0.00 61.00 61.49 2dic s PRO 72 Cb -0.16 -1.71 0.00 0.00 0.04 0.00 0.00 34.50 32.67 2dic s PRO 72 CO -0.17 -2.94 0.00 1.19 0.04 0.00 0.00 177.00 175.12 2dic n PHE 73 N -4.30 0.00 -3.83 0.56 3.01 -1.26 -1.12 117.46 110.53 2dic n PHE 73 Ca 0.06 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.40 2dic n PHE 73 Cb 0.58 0.00 -0.12 0.00 -0.01 0.00 0.00 39.48 39.93 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 -1.14 -0.42 0.49 4.37 0.00 -1.26 -4.81 121.76 118.99 2dic s ALA 74 Ca 0.00 0.33 -0.21 0.00 0.00 0.00 0.00 51.96 52.07 2dic s ALA 74 Cb 0.00 -0.18 -0.07 0.00 0.00 0.00 0.00 23.12 22.88 2dic s ALA 74 CO 0.00 -0.12 1.15 -1.25 0.00 0.00 0.00 175.76 175.54 2dic s PRO 75 N -0.34 3.60 0.00 0.00 0.04 -1.26 -4.78 135.00 132.25 2dic s PRO 75 Ca -0.04 1.70 0.00 0.00 0.04 0.00 0.00 61.00 62.70 2dic s PRO 75 Cb -0.03 -2.24 0.00 0.00 0.04 0.00 0.00 34.50 32.27 2dic s PRO 75 CO 0.01 -0.67 0.00 0.41 0.04 0.00 0.00 177.00 176.79 2dic n GLY 76 N 0.32 -1.12 3.57 0.56 0.00 0.41 -4.90 105.19 104.03 2dic n GLY 76 Ca 0.09 -1.53 -0.43 0.00 0.00 0.00 0.00 46.02 44.16 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 -1.55 6.52 0.22 1.61 -4.77 -1.26 -1.60 116.67 115.84 2dic s ASP 77 Ca 0.00 0.22 0.05 0.00 -3.30 0.00 0.00 52.55 49.52 2dic s ASP 77 Cb 0.00 -2.40 -0.03 0.00 -1.09 0.00 0.00 42.92 39.39 2dic s ASP 77 CO 0.00 -0.83 0.29 -0.31 0.70 0.00 0.00 175.17 175.02 2dic s TYR 78 N 3.26 3.35 -0.33 2.11 1.51 -1.14 -4.68 117.35 121.43 2dic s TYR 78 Ca 0.32 -0.02 0.01 0.00 -1.01 0.00 0.00 57.07 56.38 2dic s TYR 78 Cb -0.12 -1.54 0.10 0.00 -0.11 0.00 0.00 41.96 40.28 2dic s TYR 78 CO 0.20 0.48 0.08 -0.51 -1.11 0.00 0.00 175.55 174.68 2dic s ASP 79 N -3.74 4.37 -0.48 2.29 1.11 0.04 -2.24 116.67 118.03 2dic s ASP 79 Ca 0.34 -1.90 -0.28 0.00 0.18 0.00 0.00 52.55 50.89 2dic s ASP 79 Cb -0.09 -1.22 -0.00 0.00 1.07 0.00 0.00 42.92 42.67 2dic s ASP 79 CO 0.28 -0.40 1.60 -0.69 1.18 0.00 0.00 175.17 177.14 2dic s VAL 80 N 1.27 3.65 -0.02 -1.27 1.01 -0.97 -2.64 120.40 121.42 2dic s VAL 80 Ca 0.10 0.59 -0.21 0.00 0.00 0.00 0.00 61.98 62.46 2dic s VAL 80 Cb -0.18 -4.08 -0.05 0.00 0.00 0.00 0.00 36.38 32.07 2dic s VAL 80 CO -0.17 -0.82 0.61 0.20 0.00 0.00 0.00 175.10 174.92 2dic s ASN 81 N 5.47 6.97 -0.02 3.32 0.01 0.23 -1.41 114.94 129.50 2dic s ASN 81 Ca 0.65 1.15 -0.00 0.00 -0.71 0.00 0.00 52.86 53.95 2dic s ASN 81 Cb -0.15 -2.37 0.03 0.00 0.41 0.00 0.00 41.25 39.17 2dic s ASN 81 CO 0.28 0.06 0.04 -0.63 -1.51 0.00 0.00 177.10 175.33 2dic s ILE 82 N 0.02 -0.07 -0.01 0.60 1.01 -1.26 -0.21 121.20 121.29 2dic s ILE 82 Ca 0.32 0.26 0.01 0.00 0.00 0.00 0.00 60.65 61.24 2dic s ILE 82 Cb -0.18 -0.10 0.01 0.00 0.01 0.00 0.00 42.46 42.20 2dic s ILE 82 CO 0.17 0.11 -0.03 0.42 0.00 0.00 0.00 174.94 175.61 2dic s THR 83 N 1.28 0.28 -0.41 2.92 -4.23 -1.06 -2.88 115.64 111.54 2dic s THR 83 Ca -0.06 -0.10 -0.12 0.00 -1.18 0.00 0.00 61.69 60.23 2dic s THR 83 Cb -0.13 -0.27 0.05 0.00 1.34 0.00 0.00 72.50 73.49 2dic s THR 83 CO -0.03 0.11 0.27 -0.47 -0.54 0.00 0.00 174.62 173.95 2dic s TYR 84 N 0.24 3.26 0.00 3.99 5.04 0.01 -0.87 117.35 129.02 2dic s TYR 84 Ca -0.02 -1.02 0.00 0.00 -2.44 0.00 0.00 57.07 53.59 2dic s TYR 84 Cb -0.05 -2.71 0.00 0.00 0.35 0.00 0.00 41.96 39.55 2dic s TYR 84 CO -0.00 -0.71 0.00 0.41 -1.34 0.00 0.00 175.55 173.90 2dic n GLY 85 N 5.05 1.40 0.45 8.97 0.00 0.15 -2.82 105.19 118.39 2dic n GLY 85 Ca -0.11 -0.02 -0.01 0.00 0.00 0.00 0.00 46.02 45.88 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 0.56 3.12 -0.02 0.00 -1.26 -4.70 105.19 102.88 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 0.78 -0.13 4.61 0.00 -1.13 -5.14 121.76 120.75 2dic s ALA 87 Ca 0.00 -1.09 -0.18 0.00 0.00 0.00 0.00 51.96 50.69 2dic s ALA 87 Cb 0.00 0.11 -0.04 0.00 0.00 0.00 0.00 23.12 23.19 2dic s ALA 87 CO 0.00 -0.15 0.49 -1.01 0.00 0.00 0.00 175.76 175.10 2dic s HIS 88 N -2.66 3.48 0.54 0.00 0.09 -1.26 -0.81 115.29 114.67 2dic s HIS 88 Ca 0.02 0.87 -0.19 0.00 -0.00 0.00 0.00 55.06 55.77 2dic s HIS 88 Cb -0.01 -2.59 -0.06 0.00 -0.00 0.00 0.00 32.58 29.92 2dic s HIS 88 CO -0.03 0.11 1.10 0.96 -0.00 0.00 0.00 174.74 176.87 2dic s ILE 89 N 0.85 3.40 -0.80 0.60 -4.36 -1.14 -4.89 121.20 114.86 2dic s ILE 89 Ca 0.26 0.84 -0.25 0.00 -0.26 0.00 0.00 60.65 61.24 2dic s ILE 89 Cb -0.15 -3.33 -0.04 0.00 1.25 0.00 0.00 42.46 40.19 2dic s ILE 89 CO 0.10 -0.22 1.92 -2.16 0.24 0.00 0.00 174.94 174.82 2dic s PRO 90 N -3.39 2.58 0.00 0.37 0.04 -1.26 -2.67 135.00 130.67 2dic s PRO 90 Ca 0.70 0.01 0.00 0.00 0.04 0.00 0.00 61.00 61.75 2dic s PRO 90 Cb -0.21 -4.84 0.00 0.00 0.04 0.00 0.00 34.50 29.50 2dic s PRO 90 CO 0.27 -3.16 0.00 0.41 0.04 0.00 0.00 177.00 174.56 2dic n GLY 91 N 6.46 0.34 3.74 0.56 0.00 -1.26 -4.99 105.19 110.04 2dic n GLY 91 Ca 0.33 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.08 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 5.24 0.51 1.61 0.15 -1.09 -3.68 113.70 116.44 2dic s SER 92 Ca 0.00 -0.18 -0.21 0.00 0.70 0.00 0.00 55.95 56.26 2dic s SER 92 Cb 0.00 -1.30 -0.07 0.00 -1.71 0.00 0.00 66.02 62.95 2dic s SER 92 CO 0.00 0.11 1.14 -2.16 1.20 0.00 0.00 173.24 173.54 2dic s PRO 93 N -2.78 3.53 -0.47 5.44 0.04 -1.26 -4.90 135.00 134.60 2dic s PRO 93 Ca 0.29 1.68 -0.18 0.00 0.04 0.00 0.00 61.00 62.83 2dic s PRO 93 Cb -0.11 -2.17 0.05 0.00 0.04 0.00 0.00 34.50 32.31 2dic s PRO 93 CO 0.21 -0.72 0.50 -0.06 0.04 0.00 0.00 177.00 176.97 2dic s PHE 94 N -1.68 3.14 0.17 0.56 0.40 -0.50 -4.77 117.98 115.30 2dic s PHE 94 Ca 0.69 -0.58 -0.31 0.00 -0.60 0.00 0.00 56.93 56.13 2dic s PHE 94 Cb -0.26 -3.21 -0.09 0.00 0.51 0.00 0.00 43.02 39.97 2dic s PHE 94 CO 0.30 -0.85 1.49 0.50 0.70 0.00 0.00 175.22 177.36 2dic s ARG 95 N 2.20 4.26 -0.06 0.44 3.00 -1.26 -2.29 118.95 125.24 2dic s ARG 95 Ca 0.11 2.26 -0.01 0.00 -1.00 0.00 0.00 55.73 57.10 2dic s ARG 95 Cb -0.20 -3.17 0.03 0.00 0.00 0.00 0.00 34.95 31.61 2dic s ARG 95 CO 0.11 -0.52 0.00 0.08 0.00 0.00 0.00 175.30 174.97 2dic s VAL 96 N 0.92 0.33 -0.60 7.11 1.01 -0.95 -4.83 120.40 123.38 2dic s VAL 96 Ca 0.66 0.13 -0.27 0.00 0.00 0.00 0.00 61.98 62.50 2dic s VAL 96 Cb -0.41 -0.48 -0.02 0.00 0.00 0.00 0.00 36.38 35.47 2dic s VAL 96 CO 0.33 0.24 1.85 -2.16 0.00 0.00 0.00 175.10 175.36 2dic s PRO 97 N 1.81 2.67 -0.51 2.72 0.04 -1.26 -2.89 135.00 137.57 2dic s PRO 97 Ca 0.02 0.65 -0.22 0.00 0.04 0.00 0.00 61.00 61.49 2dic s PRO 97 Cb -0.13 -4.37 0.04 0.00 0.04 0.00 0.00 34.50 30.08 2dic s PRO 97 CO -0.04 -2.68 0.79 0.08 0.04 0.00 0.00 177.00 175.19 2dic s VAL 98 N 8.93 4.62 0.68 -0.36 1.01 -0.63 -3.26 120.40 131.39 2dic s VAL 98 Ca 0.68 0.01 -0.00 0.00 0.00 0.00 0.00 61.98 62.67 2dic s VAL 98 Cb -0.13 -4.40 0.10 0.00 0.00 0.00 0.00 36.38 31.95 2dic s VAL 98 CO 0.21 -0.92 0.94 -0.54 0.00 0.00 0.00 175.10 174.80 2dic s LYS 99 N 3.32 1.91 -0.22 2.72 1.02 -1.12 -0.45 119.74 126.93 2dic s LYS 99 Ca 0.24 -1.01 -0.05 0.00 0.02 0.00 0.00 55.97 55.17 2dic s LYS 99 Cb -0.15 -2.37 -0.02 0.00 -0.52 0.00 0.00 37.83 34.78 2dic s LYS 99 CO 0.17 -1.26 -0.01 0.16 -0.92 0.00 0.00 175.35 173.49 2dic s ASP 100 N -4.65 4.59 0.30 2.83 1.47 -1.26 -0.78 116.67 119.16 2dic s ASP 100 Ca 0.64 -0.30 0.04 0.00 1.18 0.00 0.00 52.55 54.11 2dic s ASP 100 Cb -0.07 -1.79 0.78 0.00 -0.34 0.00 0.00 42.92 41.50 2dic s ASP 100 CO 0.43 0.01 1.64 0.58 0.68 0.00 0.00 175.17 178.50 2dic h VAL 101 N 5.58 0.26 -1.54 2.11 2.07 -1.96 -3.42 116.25 119.34 2dic h VAL 101 Ca -0.39 -0.06 0.08 0.00 0.82 0.00 0.00 66.70 67.15 2dic h VAL 101 Cb 1.17 0.06 -0.27 0.00 -1.52 0.00 0.00 31.29 30.73 2dic h VAL 101 CO 0.60 0.03 0.48 0.54 0.02 0.00 0.00 177.57 179.24 2dic s VAL 102 N -5.90 0.00 0.24 2.57 0.11 -1.26 -5.15 120.40 111.01 2dic s VAL 102 Ca -0.12 0.00 -0.18 0.00 -2.93 0.00 0.00 61.98 58.75 2dic s VAL 102 Cb 0.27 -1.00 -0.08 0.00 -1.53 0.00 0.00 36.38 34.04 2dic s VAL 102 CO 0.77 0.00 0.71 1.51 -3.33 0.00 0.00 175.10 174.76 2dic s ASP 103 N 0.37 6.96 0.38 3.54 -4.77 -1.26 -5.05 116.67 116.84 2dic s ASP 103 Ca 0.02 1.34 -0.26 0.00 -3.30 0.00 0.00 52.55 50.35 2dic s ASP 103 Cb -0.05 -2.39 -0.09 0.00 -1.09 0.00 0.00 42.92 39.30 2dic s ASP 103 CO -0.08 -0.02 1.20 -2.16 0.70 0.00 0.00 175.17 174.80 2dic s PRO 104 N -2.24 4.15 0.00 2.11 0.04 -1.26 -5.26 135.00 132.53 2dic s PRO 104 Ca 0.45 1.93 0.32 0.00 0.04 0.00 0.00 61.00 63.74 2dic s PRO 104 Cb -0.15 -2.80 1.89 0.00 0.04 0.00 0.00 34.50 33.49 2dic s PRO 104 CO 0.20 -0.27 2.22 0.45 0.04 0.00 0.00 177.00 179.64