#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 -3.11 -3.01 1.61 7.64 -1.26 -1.30 113.62 114.20 2dic n SER 2 Ca 0.00 -0.82 -0.19 0.00 1.01 0.00 0.00 58.87 58.88 2dic n SER 2 Cb 0.00 -3.86 0.07 0.00 -1.01 0.00 0.00 64.21 59.41 2dic n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dic n SER 3 N -2.92 -5.02 -0.08 6.43 2.88 -1.26 -4.96 113.62 108.68 2dic n SER 3 Ca -0.11 -0.45 -0.08 0.00 -1.33 0.00 0.00 58.87 56.90 2dic n SER 3 Cb 0.59 -4.19 -0.03 0.00 -0.75 0.00 0.00 64.21 59.83 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 -1.63 -0.74 3.70 0.46 0.00 -0.42 -4.99 105.19 101.56 2dic n GLY 4 Ca -0.03 -0.23 -0.31 0.00 0.00 0.00 0.00 46.02 45.45 2dic n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dic s SER 5 N -5.92 5.14 -0.24 1.61 1.04 -1.26 -5.11 113.70 108.95 2dic s SER 5 Ca -0.23 -0.07 -0.04 0.00 0.48 0.00 0.00 55.95 56.10 2dic s SER 5 Cb 0.04 -1.31 0.13 0.00 0.10 0.00 0.00 66.02 64.98 2dic s SER 5 CO 0.34 0.23 0.43 -0.55 0.98 0.00 0.00 173.24 174.67 2dic s SER 6 N -1.93 -0.18 0.00 7.02 0.15 -1.26 -5.05 113.70 112.45 2dic s SER 6 Ca 0.23 0.56 0.00 0.00 0.70 0.00 0.00 55.95 57.44 2dic s SER 6 Cb -0.12 1.38 0.00 0.00 -1.71 0.00 0.00 66.02 65.57 2dic s SER 6 CO 0.15 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 174.92 2dic n GLY 7 N 5.38 5.58 0.00 9.45 0.00 -1.26 -5.18 105.19 119.16 2dic n GLY 7 Ca -0.05 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 44.99 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 4.74 3.69 -0.02 0.00 -1.26 -5.09 105.19 107.25 2dic n GLY 8 Ca 0.00 -1.01 -0.42 0.00 0.00 0.00 0.00 46.02 44.59 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 2.23 1.94 0.00 0.00 -0.21 0.77 -4.93 119.66 119.46 2dic s GLN 10 Ca 0.56 -2.38 0.15 0.00 0.02 0.00 0.00 55.36 53.71 2dic s GLN 10 Cb -0.25 -3.37 0.76 0.00 1.00 0.00 0.00 33.01 31.16 2dic s GLN 10 CO 0.22 -1.07 1.41 -0.35 -2.12 0.00 0.00 175.29 173.37 2dic n PRO 11 N 3.53 0.23 0.09 2.91 -0.04 -1.26 -2.75 135.00 137.70 2dic n PRO 11 Ca 0.05 0.14 -0.23 0.00 -0.04 0.00 0.00 63.50 63.41 2dic n PRO 11 Cb 0.36 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.17 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 0.65 -0.00 3.54 4.64 -1.91 -3.29 113.55 117.17 2dic h SER 12 Ca 0.00 -0.92 0.00 0.00 -0.47 0.00 0.00 61.79 60.40 2dic h SER 12 Cb 0.13 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 62.01 2dic h SER 12 CO 0.00 1.70 0.01 0.03 -0.87 0.00 0.00 176.83 177.70 2dic h ARG 13 N 0.01 0.00 -6.99 4.77 2.47 -1.88 -3.43 114.38 109.33 2dic h ARG 13 Ca -0.29 0.00 -0.54 0.00 -1.26 0.00 0.00 59.98 57.89 2dic h ARG 13 Cb 2.03 0.00 0.11 0.00 -1.65 0.00 0.00 29.97 30.46 2dic h ARG 13 CO 0.19 0.00 0.66 0.08 0.56 0.00 0.00 179.97 181.46 2dic s VAL 14 N -4.20 2.26 -0.03 2.04 1.01 -1.24 -4.64 120.40 115.59 2dic s VAL 14 Ca -0.05 0.22 0.01 0.00 0.00 0.00 0.00 61.98 62.16 2dic s VAL 14 Cb 0.13 -3.13 0.02 0.00 0.00 0.00 0.00 36.38 33.40 2dic s VAL 14 CO 0.42 0.03 -0.04 -1.10 0.00 0.00 0.00 175.10 174.41 2dic s GLN 15 N -2.46 0.69 -0.13 2.72 -0.21 -1.00 -4.82 119.66 114.45 2dic s GLN 15 Ca 0.61 -0.10 0.00 0.00 0.02 0.00 0.00 55.36 55.89 2dic s GLN 15 Cb -0.41 -0.71 0.02 0.00 1.00 0.00 0.00 33.01 32.91 2dic s GLN 15 CO 0.52 -0.04 -0.12 0.00 -2.12 0.00 0.00 175.29 173.53 2dic s ALA 16 N 0.71 1.63 0.12 6.09 0.00 -1.26 -1.51 121.76 127.54 2dic s ALA 16 Ca -0.09 -0.75 -0.06 0.00 0.00 0.00 0.00 51.96 51.06 2dic s ALA 16 Cb -0.12 -0.98 -0.02 0.00 0.00 0.00 0.00 23.12 22.01 2dic s ALA 16 CO -0.00 -0.36 0.17 1.14 0.00 0.00 0.00 175.76 176.70 2dic s GLN 17 N 1.52 0.93 0.00 0.00 -2.07 -0.72 -5.00 119.66 114.33 2dic s GLN 17 Ca 0.04 -1.16 0.00 0.00 -1.82 0.00 0.00 55.36 52.42 2dic s GLN 17 Cb -0.13 0.32 0.00 0.00 -1.09 0.00 0.00 33.01 32.11 2dic s GLN 17 CO -0.09 -0.30 0.00 0.41 -1.32 0.00 0.00 175.29 173.99 2dic n GLY 18 N -0.10 0.85 0.10 2.60 0.00 -1.26 0.59 105.19 107.98 2dic n GLY 18 Ca -0.11 -2.07 -0.13 0.00 0.00 0.00 0.00 46.02 43.71 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 7.68 0.22 0.00 1.61 0.13 -1.85 -1.92 132.00 137.87 2dic h PRO 19 Ca 0.00 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 2dic h PRO 19 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2dic h PRO 19 CO 0.00 0.64 0.24 0.41 -0.23 0.00 0.00 178.00 179.06 2dic n GLY 20 N 0.20 -0.64 0.05 1.56 0.00 -0.33 0.62 105.19 106.66 2dic n GLY 20 Ca -0.07 0.13 -0.04 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.03 0.00 -0.08 0.99 4.77 -1.14 -4.72 117.00 114.79 2dic n LEU 21 Ca -0.01 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.87 2dic n LEU 21 Cb 0.26 0.26 -0.05 0.00 -2.33 0.00 0.00 43.42 41.57 2dic n LEU 21 CO 0.06 0.26 -0.36 0.11 -1.33 0.00 0.00 177.39 176.14 2dic h LYS 22 N 0.00 0.00 -3.84 3.23 1.57 0.09 -3.42 116.57 114.19 2dic h LYS 22 Ca -0.29 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.34 2dic h LYS 22 Cb 1.59 0.00 -0.20 0.00 0.08 0.00 0.00 32.23 33.70 2dic h LYS 22 CO 0.02 0.35 -0.61 -2.00 -0.57 0.00 0.00 179.45 176.63 2dic s GLU 23 N -2.23 0.42 0.23 3.15 2.12 0.20 -4.46 118.70 118.14 2dic s GLU 23 Ca -0.18 -0.62 -0.03 0.00 0.36 0.00 0.00 54.97 54.49 2dic s GLU 23 Cb 0.03 0.16 -0.03 0.00 0.26 0.00 0.00 34.13 34.55 2dic s GLU 23 CO 0.34 -0.09 0.25 0.00 -0.54 0.00 0.00 175.26 175.22 2dic s ALA 24 N -1.80 0.85 0.09 6.30 0.00 -1.13 -3.73 121.76 122.33 2dic s ALA 24 Ca -0.12 -1.51 -0.02 0.00 0.00 0.00 0.00 51.96 50.30 2dic s ALA 24 Cb -0.07 1.30 -0.03 0.00 0.00 0.00 0.00 23.12 24.32 2dic s ALA 24 CO -0.02 -0.67 0.04 -0.06 0.00 0.00 0.00 175.76 175.05 2dic s PHE 25 N -4.00 0.60 0.13 0.00 0.40 -1.26 -2.25 117.98 111.60 2dic s PHE 25 Ca 0.35 -1.06 -0.30 0.00 -0.60 0.00 0.00 56.93 55.31 2dic s PHE 25 Cb 0.04 -0.37 -0.07 0.00 0.51 0.00 0.00 43.02 43.14 2dic s PHE 25 CO 0.13 -0.47 1.12 0.95 0.70 0.00 0.00 175.22 177.65 2dic s THR 26 N -3.96 3.97 -1.45 0.64 -4.23 -0.20 -3.29 115.64 107.11 2dic s THR 26 Ca 0.14 1.59 -0.08 0.00 -1.18 0.00 0.00 61.69 62.15 2dic s THR 26 Cb 0.07 -4.02 0.04 0.00 1.34 0.00 0.00 72.50 69.94 2dic s THR 26 CO -0.05 0.22 0.73 0.59 -0.54 0.00 0.00 174.62 175.57 2dic n ASN 27 N 2.89 -5.23 -4.16 3.99 3.02 0.07 -4.75 115.26 111.09 2dic n ASN 27 Ca 0.05 -0.45 -0.23 0.00 -0.03 0.00 0.00 54.58 53.92 2dic n ASN 27 Cb 0.46 -4.22 -0.14 0.00 -0.61 0.00 0.00 39.78 35.27 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 -6.06 1.17 -0.32 3.52 1.02 -1.21 -5.00 119.74 112.86 2dic s LYS 28 Ca 0.44 -0.69 -0.29 0.00 0.02 0.00 0.00 55.97 55.46 2dic s LYS 28 Cb -0.21 -1.18 -0.01 0.00 -0.52 0.00 0.00 37.83 35.91 2dic s LYS 28 CO 0.55 0.31 1.68 -1.25 -0.92 0.00 0.00 175.35 175.72 2dic s PRO 29 N -0.76 3.48 -0.16 -1.68 0.04 -1.26 -4.41 135.00 130.24 2dic s PRO 29 Ca 0.05 1.37 0.00 0.00 0.04 0.00 0.00 61.00 62.46 2dic s PRO 29 Cb -0.07 -4.13 0.00 0.00 0.04 0.00 0.00 34.50 30.34 2dic s PRO 29 CO 0.00 -1.68 -0.15 -0.80 0.04 0.00 0.00 177.00 174.41 2dic s ASN 30 N 5.26 3.62 0.27 6.66 0.01 -0.69 -4.99 114.94 125.08 2dic s ASN 30 Ca 0.74 -0.49 0.02 0.00 -0.71 0.00 0.00 52.86 52.42 2dic s ASN 30 Cb -0.21 -1.56 -0.05 0.00 0.41 0.00 0.00 41.25 39.84 2dic s ASN 30 CO 0.33 0.07 0.09 0.68 -1.51 0.00 0.00 177.10 176.76 2dic s VAL 31 N 0.92 0.64 0.09 1.60 -7.23 -1.26 -1.03 120.40 114.13 2dic s VAL 31 Ca -0.03 -2.00 -0.18 0.00 -1.81 0.00 0.00 61.98 57.96 2dic s VAL 31 Cb -0.15 -2.65 0.04 0.00 0.56 0.00 0.00 36.38 34.18 2dic s VAL 31 CO -0.02 0.00 0.44 0.72 -0.31 0.00 0.00 175.10 175.93 2dic s PHE 32 N -3.68 -0.28 -0.13 2.82 -0.71 -1.23 -1.18 117.98 113.58 2dic s PHE 32 Ca 0.37 0.11 -0.20 0.00 -1.04 0.00 0.00 56.93 56.18 2dic s PHE 32 Cb 0.08 0.29 -0.04 0.00 -1.21 0.00 0.00 43.02 42.14 2dic s PHE 32 CO 0.14 -0.67 0.55 0.99 -1.34 0.00 0.00 175.22 174.89 2dic s THR 33 N -3.21 5.13 -0.28 -4.49 2.01 0.20 -4.19 115.64 110.80 2dic s THR 33 Ca -0.01 1.08 0.03 0.00 0.31 0.00 0.00 61.69 63.10 2dic s THR 33 Cb 0.00 -3.88 0.07 0.00 0.01 0.00 0.00 72.50 68.71 2dic s THR 33 CO -0.08 0.26 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.36 2dic s VAL 34 N 0.97 2.19 -0.33 3.82 1.01 -1.05 -1.75 120.40 125.26 2dic s VAL 34 Ca 0.28 -1.82 -0.19 0.00 0.00 0.00 0.00 61.98 60.25 2dic s VAL 34 Cb -0.16 -2.38 -0.01 0.00 0.00 0.00 0.00 36.38 33.83 2dic s VAL 34 CO 0.12 -0.19 0.57 -0.69 0.00 0.00 0.00 175.10 174.91 2dic s VAL 35 N 1.05 4.97 -0.25 2.92 1.01 -0.57 -0.57 120.40 128.97 2dic s VAL 35 Ca -0.03 0.61 0.15 0.00 0.00 0.00 0.00 61.98 62.70 2dic s VAL 35 Cb -0.20 -3.98 0.47 0.00 0.00 0.00 0.00 36.38 32.68 2dic s VAL 35 CO -0.06 -0.17 1.16 0.35 0.00 0.00 0.00 175.10 176.38 2dic n THR 36 N 5.42 1.86 1.31 3.92 -2.24 -1.14 -2.37 114.28 121.04 2dic n THR 36 Ca -0.03 -3.41 0.01 0.00 -2.27 0.00 0.00 64.05 58.35 2dic n THR 36 Cb 0.49 -0.02 0.04 0.00 -2.10 0.00 0.00 70.33 68.74 2dic n THR 36 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 2dic n ARG 37 N -0.62 1.32 0.00 -0.78 -4.01 -1.16 -3.92 116.66 107.49 2dic n ARG 37 Ca 0.25 -0.35 0.00 0.00 -1.04 0.00 0.00 57.85 56.72 2dic n ARG 37 Cb 0.90 -1.29 0.00 0.00 -3.04 0.00 0.00 32.46 29.02 2dic n ARG 37 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 2dic n GLY 38 N 0.40 0.04 0.42 2.89 0.00 -1.26 -4.93 105.19 102.75 2dic n GLY 38 Ca 0.03 -0.02 -0.11 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.52 0.00 4.61 0.00 -1.73 -3.44 119.26 118.19 2dic h ALA 39 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2dic h ALA 39 Cb 0.00 1.35 0.00 0.00 0.00 0.00 0.00 17.79 19.14 2dic h ALA 39 CO 0.00 -0.95 0.00 0.41 0.00 0.00 0.00 179.25 178.71 2dic n GLY 40 N -1.27 -0.15 2.69 0.00 0.00 -1.26 -0.16 105.19 105.04 2dic n GLY 40 Ca 0.02 -0.91 -0.30 0.00 0.00 0.00 0.00 46.02 44.84 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 -4.00 0.90 0.23 -0.61 1.01 -1.26 -4.97 121.20 112.49 2dic s ILE 41 Ca 0.00 -1.70 -0.06 0.00 0.00 0.00 0.00 60.65 58.89 2dic s ILE 41 Cb 0.00 -1.67 0.02 0.00 0.01 0.00 0.00 42.46 40.83 2dic s ILE 41 CO 0.00 -0.77 0.41 0.61 0.00 0.00 0.00 174.94 175.19 2dic n GLY 42 N 4.44 1.82 3.58 6.18 0.00 -1.26 -5.02 105.19 114.93 2dic n GLY 42 Ca 0.02 -1.30 -0.41 0.00 0.00 0.00 0.00 46.02 44.33 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 -2.28 1.75 0.21 -0.02 0.00 -1.26 -4.77 107.32 100.95 2dic s GLY 43 Ca 0.13 -0.75 -0.16 0.00 0.00 0.00 0.00 44.72 43.94 2dic s GLY 43 CO 0.09 1.50 0.64 -2.27 0.00 0.00 0.00 173.10 173.06 2dic s LEU 44 N 2.69 4.28 -0.21 0.66 2.96 -1.26 0.44 118.68 128.24 2dic s LEU 44 Ca 0.25 1.21 -0.04 0.00 -0.22 0.00 0.00 54.13 55.34 2dic s LEU 44 Cb -0.15 -3.55 0.07 0.00 0.50 0.00 0.00 46.19 43.06 2dic s LEU 44 CO 0.14 0.01 0.07 -0.83 -1.32 0.00 0.00 176.35 174.41 2dic s GLY 45 N -1.85 0.59 -0.19 7.98 0.00 0.15 -4.92 107.32 109.08 2dic s GLY 45 Ca 0.43 -0.69 -0.05 0.00 0.00 0.00 0.00 44.72 44.41 2dic s GLY 45 CO 0.20 1.61 0.01 -0.42 0.00 0.00 0.00 173.10 174.50 2dic s ILE 46 N 1.96 4.17 0.20 0.90 1.01 -1.26 -2.12 121.20 126.06 2dic s ILE 46 Ca 0.02 -0.25 0.01 0.00 0.00 0.00 0.00 60.65 60.44 2dic s ILE 46 Cb -0.17 -2.87 -0.05 0.00 0.01 0.00 0.00 42.46 39.38 2dic s ILE 46 CO -0.13 0.45 0.04 0.42 0.00 0.00 0.00 174.94 175.71 2dic s THR 47 N 0.71 0.61 -0.03 2.92 -4.23 0.31 -5.00 115.64 110.94 2dic s THR 47 Ca 0.01 -1.99 0.03 0.00 -1.18 0.00 0.00 61.69 58.56 2dic s THR 47 Cb -0.14 -2.29 -0.00 0.00 1.34 0.00 0.00 72.50 71.41 2dic s THR 47 CO 0.02 -0.31 -0.12 -0.69 -0.54 0.00 0.00 174.62 172.98 2dic s VAL 48 N -3.71 0.97 -0.11 2.29 1.01 -1.26 -0.59 120.40 119.00 2dic s VAL 48 Ca 0.29 -0.48 0.03 0.00 0.00 0.00 0.00 61.98 61.82 2dic s VAL 48 Cb 0.07 -0.84 0.01 0.00 0.00 0.00 0.00 36.38 35.61 2dic s VAL 48 CO 0.07 0.29 -0.20 -1.61 0.00 0.00 0.00 175.10 173.65 2dic s GLU 49 N 0.04 2.69 0.10 2.72 2.02 -1.19 -4.79 118.70 120.29 2dic s GLU 49 Ca -0.01 -0.74 -0.05 0.00 0.02 0.00 0.00 54.97 54.18 2dic s GLU 49 Cb -0.08 -2.12 0.02 0.00 0.10 0.00 0.00 34.13 32.04 2dic s GLU 49 CO 0.01 0.06 0.26 0.41 0.02 0.00 0.00 175.26 176.02 2dic n GLY 50 N 3.83 1.49 0.00 -1.39 0.00 -1.26 -1.49 105.19 106.37 2dic n GLY 50 Ca -0.20 -1.05 0.06 0.00 0.00 0.00 0.00 46.02 44.83 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 -0.18 0.49 -3.54 1.61 -0.04 -1.26 -4.70 135.00 127.37 2dic n PRO 51 Ca -0.02 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.27 2dic n PRO 51 Cb 0.18 -1.37 -0.06 0.00 -0.04 0.00 0.00 33.50 32.20 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 -1.87 -0.65 -0.01 3.54 1.04 -1.26 -4.93 113.70 109.56 2dic s SER 52 Ca 0.17 0.82 -0.30 0.00 0.48 0.00 0.00 55.95 57.12 2dic s SER 52 Cb 0.08 0.68 -0.06 0.00 0.10 0.00 0.00 66.02 66.81 2dic s SER 52 CO 0.13 -0.53 1.60 -0.70 0.98 0.00 0.00 173.24 174.72 2dic s GLU 53 N -0.91 4.21 -0.06 4.02 2.12 -1.26 -4.69 118.70 122.12 2dic s GLU 53 Ca -0.08 2.18 -0.05 0.00 0.36 0.00 0.00 54.97 57.38 2dic s GLU 53 Cb -0.01 -3.78 -0.04 0.00 0.26 0.00 0.00 34.13 30.56 2dic s GLU 53 CO 0.08 -0.76 0.16 -1.12 -0.54 0.00 0.00 175.26 173.08 2dic s SER 54 N 2.75 6.37 -0.79 -1.70 0.01 -1.26 -4.46 113.70 114.63 2dic s SER 54 Ca 0.71 0.40 -0.26 0.00 1.31 0.00 0.00 55.95 58.12 2dic s SER 54 Cb -0.35 -2.03 0.02 0.00 0.21 0.00 0.00 66.02 63.88 2dic s SER 54 CO 0.29 0.33 1.42 -0.54 0.41 0.00 0.00 173.24 175.16 2dic s LYS 55 N -1.50 3.17 0.12 12.44 1.02 -0.71 -4.76 119.74 129.52 2dic s LYS 55 Ca 0.21 -0.30 -0.12 0.00 0.02 0.00 0.00 55.97 55.78 2dic s LYS 55 Cb -0.12 -4.48 -0.06 0.00 -0.52 0.00 0.00 37.83 32.64 2dic s LYS 55 CO 0.12 -2.29 0.49 0.42 -0.92 0.00 0.00 175.35 173.16 2dic s ILE 56 N 6.21 4.95 -0.24 2.17 1.01 -1.26 -2.34 121.20 131.71 2dic s ILE 56 Ca 0.43 0.67 -0.04 0.00 0.00 0.00 0.00 60.65 61.71 2dic s ILE 56 Cb -0.07 -3.70 0.13 0.00 0.01 0.00 0.00 42.46 38.83 2dic s ILE 56 CO 0.10 0.25 0.40 0.20 0.00 0.00 0.00 174.94 175.90 2dic s ASN 57 N -1.75 0.00 0.20 3.58 0.01 0.77 -4.98 114.94 112.76 2dic s ASN 57 Ca 0.36 0.46 -0.05 0.00 -0.71 0.00 0.00 52.86 52.92 2dic s ASN 57 Cb -0.14 1.25 -0.06 0.00 0.41 0.00 0.00 41.25 42.71 2dic s ASN 57 CO 0.19 -0.28 0.45 0.00 -1.51 0.00 0.00 177.10 175.95 2dic s ARG 59 N -2.95 1.20 -0.27 0.00 3.52 0.16 -5.00 118.95 115.60 2dic s ARG 59 Ca 0.43 -1.33 -0.15 0.00 -0.13 0.00 0.00 55.73 54.55 2dic s ARG 59 Cb -0.11 -1.25 -0.04 0.00 -1.56 0.00 0.00 34.95 31.99 2dic s ARG 59 CO 0.25 0.26 0.37 -0.51 -0.81 0.00 0.00 175.30 174.86 2dic s ASP 60 N -2.50 6.25 -0.19 -2.12 1.01 -1.26 -3.72 116.67 114.14 2dic s ASP 60 Ca 0.13 0.27 -0.01 0.00 0.71 0.00 0.00 52.55 53.65 2dic s ASP 60 Cb -0.06 -2.21 0.00 0.00 1.01 0.00 0.00 42.92 41.66 2dic s ASP 60 CO 0.05 -0.19 -0.12 0.20 0.21 0.00 0.00 175.17 175.33 2dic s ASN 61 N 1.64 3.80 -0.04 0.27 0.01 -1.26 -4.98 114.94 114.39 2dic s ASN 61 Ca 0.15 -0.48 0.05 0.00 -0.71 0.00 0.00 52.86 51.87 2dic s ASN 61 Cb -0.16 -1.62 0.21 0.00 0.41 0.00 0.00 41.25 40.09 2dic s ASN 61 CO 0.10 0.02 0.98 1.17 -1.51 0.00 0.00 177.10 177.86 2dic n LYS 62 N 4.51 1.81 -0.90 -0.60 4.81 -1.26 -3.72 118.16 122.81 2dic n LYS 62 Ca -0.19 -0.81 0.00 0.00 -0.87 0.00 0.00 58.31 56.44 2dic n LYS 62 Cb 0.51 -1.46 0.33 0.00 0.02 0.00 0.00 35.03 34.42 2dic n LYS 62 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2dic n ASP 63 N 0.14 4.88 -2.16 3.14 2.03 -1.26 -4.91 116.55 118.41 2dic n ASP 63 Ca 0.07 -3.14 -0.14 0.00 0.52 0.00 0.00 54.79 52.10 2dic n ASP 63 Cb 0.36 -0.70 0.03 0.00 -0.72 0.00 0.00 41.12 40.10 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 -0.02 -0.03 3.45 0.27 0.00 -1.24 -4.98 105.19 102.64 2dic n GLY 64 Ca 0.34 -0.16 -0.16 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.99 1.13 -0.01 1.61 1.04 -1.25 -2.90 113.70 110.33 2dic s SER 65 Ca 0.27 -1.57 -0.01 0.00 0.48 0.00 0.00 55.95 55.12 2dic s SER 65 Cb -0.12 0.65 0.01 0.00 0.10 0.00 0.00 66.02 66.66 2dic s SER 65 CO 0.33 -1.26 0.03 0.00 0.98 0.00 0.00 173.24 173.32 2dic s SER 67 N 0.29 3.78 -0.10 0.00 0.01 -1.24 -2.52 113.70 113.92 2dic s SER 67 Ca -0.02 -0.44 0.00 0.00 1.31 0.00 0.00 55.95 56.80 2dic s SER 67 Cb -0.03 -1.59 0.02 0.00 0.21 0.00 0.00 66.02 64.63 2dic s SER 67 CO -0.01 0.09 -0.08 0.00 0.41 0.00 0.00 173.24 173.65 2dic s ALA 68 N 0.79 1.23 -0.04 1.44 0.00 -1.26 -0.67 121.76 123.26 2dic s ALA 68 Ca -0.05 -0.46 0.06 0.00 0.00 0.00 0.00 51.96 51.51 2dic s ALA 68 Cb -0.15 -0.80 -0.02 0.00 0.00 0.00 0.00 23.12 22.14 2dic s ALA 68 CO 0.00 -0.29 -0.20 -1.83 0.00 0.00 0.00 175.76 173.44 2dic s GLU 69 N 1.48 2.31 0.03 0.00 -1.05 -0.66 -3.54 118.70 117.27 2dic s GLU 69 Ca 0.00 -0.81 0.00 0.00 -0.15 0.00 0.00 54.97 54.02 2dic s GLU 69 Cb -0.13 -2.21 -0.03 0.00 -0.44 0.00 0.00 34.13 31.32 2dic s GLU 69 CO -0.05 0.59 -0.04 1.52 0.95 0.00 0.00 175.26 178.23 2dic s TYR 70 N -0.67 0.42 -0.23 4.83 1.13 -0.20 -0.16 117.35 122.47 2dic s TYR 70 Ca 0.11 -0.64 -0.04 0.00 -1.41 0.00 0.00 57.07 55.09 2dic s TYR 70 Cb -0.10 -0.29 0.08 0.00 -1.10 0.00 0.00 41.96 40.55 2dic s TYR 70 CO -0.00 -0.20 0.11 0.42 -2.51 0.00 0.00 175.55 173.37 2dic s ILE 71 N -1.98 -0.03 0.99 -3.49 1.01 -0.99 -1.70 121.20 115.02 2dic s ILE 71 Ca -0.09 -0.49 -0.12 0.00 0.00 0.00 0.00 60.65 59.94 2dic s ILE 71 Cb -0.06 -0.81 0.19 0.00 0.01 0.00 0.00 42.46 41.78 2dic s ILE 71 CO -0.02 -0.50 1.09 -2.16 0.00 0.00 0.00 174.94 173.35 2dic s PRO 72 N 2.10 0.46 0.00 2.79 0.04 -1.26 -1.73 135.00 137.40 2dic s PRO 72 Ca 0.05 0.54 0.00 0.00 0.04 0.00 0.00 61.00 61.63 2dic s PRO 72 Cb -0.16 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.64 2dic s PRO 72 CO -0.22 -2.71 0.00 1.19 0.04 0.00 0.00 177.00 175.29 2dic n PHE 73 N -4.17 0.00 -3.84 0.56 3.01 -1.26 -0.75 117.46 111.01 2dic n PHE 73 Ca 0.05 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.39 2dic n PHE 73 Cb 0.57 0.00 -0.12 0.00 -0.01 0.00 0.00 39.48 39.92 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 -1.13 -0.33 0.29 4.37 0.00 -1.26 -4.77 121.76 118.94 2dic s ALA 74 Ca 0.00 0.28 -0.29 0.00 0.00 0.00 0.00 51.96 51.94 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 -0.09 1.24 -1.25 0.00 0.00 0.00 175.76 175.65 2dic s PRO 75 N -0.22 4.46 0.00 0.00 0.04 -1.26 -4.81 135.00 133.20 2dic s PRO 75 Ca -0.03 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.06 2dic s PRO 75 Cb -0.02 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 31.39 2dic s PRO 75 CO 0.00 -0.07 0.00 0.41 0.04 0.00 0.00 177.00 177.39 2dic n GLY 76 N 1.18 -0.52 3.28 0.56 0.00 -0.59 -4.94 105.19 104.15 2dic n GLY 76 Ca 0.01 -0.92 -0.40 0.00 0.00 0.00 0.00 46.02 44.70 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 -4.00 5.61 0.33 1.61 1.47 -1.26 -1.11 116.67 119.32 2dic s ASP 77 Ca 0.00 -1.43 0.01 0.00 1.18 0.00 0.00 52.55 52.30 2dic s ASP 77 Cb 0.00 -1.98 -0.03 0.00 -0.34 0.00 0.00 42.92 40.57 2dic s ASP 77 CO 0.00 -0.50 0.52 -0.31 0.68 0.00 0.00 175.17 175.56 2dic s TYR 78 N 1.43 3.49 -0.31 2.11 1.51 -1.17 -4.77 117.35 119.65 2dic s TYR 78 Ca 0.03 0.33 0.01 0.00 -1.01 0.00 0.00 57.07 56.42 2dic s TYR 78 Cb -0.22 -1.87 0.10 0.00 -0.11 0.00 0.00 41.96 39.85 2dic s TYR 78 CO 0.02 0.17 0.07 -0.51 -1.11 0.00 0.00 175.55 174.19 2dic s ASP 79 N -3.95 4.25 -0.30 2.29 1.01 -0.56 -2.04 116.67 117.38 2dic s ASP 79 Ca 0.39 -1.77 -0.29 0.00 0.71 0.00 0.00 52.55 51.60 2dic s ASP 79 Cb -0.10 -1.15 -0.02 0.00 1.01 0.00 0.00 42.92 42.67 2dic s ASP 79 CO 0.35 -0.39 1.72 -0.69 0.21 0.00 0.00 175.17 176.37 2dic s VAL 80 N 1.36 3.56 -0.27 -1.27 1.01 -1.02 -3.15 120.40 120.63 2dic s VAL 80 Ca 0.09 0.59 -0.15 0.00 0.00 0.00 0.00 61.98 62.51 2dic s VAL 80 Cb -0.18 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 2dic s VAL 80 CO -0.18 -0.40 0.38 0.20 0.00 0.00 0.00 175.10 175.11 2dic s ASN 81 N 5.36 6.26 -0.17 3.32 0.01 0.24 -1.78 114.94 128.19 2dic s ASN 81 Ca 0.76 0.30 -0.00 0.00 -0.71 0.00 0.00 52.86 53.21 2dic s ASN 81 Cb -0.23 -2.21 0.04 0.00 0.41 0.00 0.00 41.25 39.26 2dic s ASN 81 CO 0.33 -0.19 -0.07 -0.63 -1.51 0.00 0.00 177.10 175.02 2dic s ILE 82 N 2.07 1.26 -0.03 0.60 1.01 -1.26 -0.53 121.20 124.33 2dic s ILE 82 Ca 0.15 -0.68 0.05 0.00 0.00 0.00 0.00 60.65 60.17 2dic s ILE 82 Cb -0.16 -1.38 -0.01 0.00 0.01 0.00 0.00 42.46 40.93 2dic s ILE 82 CO 0.10 0.19 -0.18 0.42 0.00 0.00 0.00 174.94 175.47 2dic s THR 83 N 1.57 1.48 -0.45 2.92 -4.23 -0.90 -2.87 115.64 113.17 2dic s THR 83 Ca 0.01 -0.78 -0.10 0.00 -1.18 0.00 0.00 61.69 59.64 2dic s THR 83 Cb -0.15 -1.24 0.09 0.00 1.34 0.00 0.00 72.50 72.54 2dic s THR 83 CO -0.08 0.42 0.31 -0.47 -0.54 0.00 0.00 174.62 174.26 2dic s TYR 84 N -0.27 3.34 0.00 3.99 5.04 -0.33 -0.68 117.35 128.44 2dic s TYR 84 Ca 0.03 -1.52 0.00 0.00 -2.44 0.00 0.00 57.07 53.14 2dic s TYR 84 Cb -0.09 -3.17 0.00 0.00 0.35 0.00 0.00 41.96 39.05 2dic s TYR 84 CO 0.00 -0.89 0.00 0.41 -1.34 0.00 0.00 175.55 173.74 2dic n GLY 85 N 4.97 1.44 0.47 8.97 0.00 0.17 -2.93 105.19 118.29 2dic n GLY 85 Ca -0.10 -0.02 -0.01 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 0.56 3.22 -0.02 0.00 -1.26 -4.81 105.19 102.88 2dic n GLY 86 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 1.29 -0.26 4.61 0.00 -1.15 -5.14 121.76 121.11 2dic s ALA 87 Ca 0.00 -1.47 -0.10 0.00 0.00 0.00 0.00 51.96 50.39 2dic s ALA 87 Cb 0.00 0.18 -0.05 0.00 0.00 0.00 0.00 23.12 23.26 2dic s ALA 87 CO 0.00 -0.19 0.16 -1.01 0.00 0.00 0.00 175.76 174.73 2dic s HIS 88 N -3.48 3.23 0.65 0.00 0.09 -1.26 -1.19 115.29 113.32 2dic s HIS 88 Ca 0.17 0.07 -0.17 0.00 -0.00 0.00 0.00 55.06 55.13 2dic s HIS 88 Cb 0.04 -2.32 -0.01 0.00 -0.00 0.00 0.00 32.58 30.29 2dic s HIS 88 CO -0.00 -0.12 1.22 0.96 -0.00 0.00 0.00 174.74 176.80 2dic s ILE 89 N 1.52 2.43 -0.68 0.60 -4.36 -1.14 -4.89 121.20 114.68 2dic s ILE 89 Ca 0.07 0.25 -0.26 0.00 -0.26 0.00 0.00 60.65 60.45 2dic s ILE 89 Cb -0.15 -3.00 -0.03 0.00 1.25 0.00 0.00 42.46 40.53 2dic s ILE 89 CO 0.08 -0.08 1.89 -2.16 0.24 0.00 0.00 174.94 174.91 2dic s PRO 90 N -3.54 2.60 0.00 0.37 0.04 -1.25 -2.72 135.00 130.50 2dic s PRO 90 Ca 0.77 0.40 0.00 0.00 0.04 0.00 0.00 61.00 62.21 2dic s PRO 90 Cb -0.31 -4.55 0.00 0.00 0.04 0.00 0.00 34.50 29.68 2dic s PRO 90 CO 0.38 -2.90 0.00 0.41 0.04 0.00 0.00 177.00 174.94 2dic n GLY 91 N 5.98 0.69 3.87 0.56 0.00 -1.26 -4.98 105.19 110.04 2dic n GLY 91 Ca 0.25 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.00 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 5.96 0.39 1.61 0.15 -1.10 -3.61 113.70 117.10 2dic s SER 92 Ca 0.00 0.07 -0.26 0.00 0.70 0.00 0.00 55.95 56.46 2dic s SER 92 Cb 0.00 -1.70 -0.09 0.00 -1.71 0.00 0.00 66.02 62.52 2dic s SER 92 CO 0.00 0.10 1.19 -2.16 1.20 0.00 0.00 173.24 173.57 2dic s PRO 93 N -2.93 4.07 -0.51 5.44 0.04 -1.26 -4.89 135.00 134.96 2dic s PRO 93 Ca 0.33 1.90 -0.18 0.00 0.04 0.00 0.00 61.00 63.08 2dic s PRO 93 Cb -0.11 -2.72 0.07 0.00 0.04 0.00 0.00 34.50 31.78 2dic s PRO 93 CO 0.26 -0.32 0.58 -0.06 0.04 0.00 0.00 177.00 177.49 2dic s PHE 94 N -1.37 3.10 0.13 0.56 0.40 -0.73 -4.79 117.98 115.27 2dic s PHE 94 Ca 0.56 -0.73 -0.31 0.00 -0.60 0.00 0.00 56.93 55.85 2dic s PHE 94 Cb -0.32 -3.53 -0.09 0.00 0.51 0.00 0.00 43.02 39.58 2dic s PHE 94 CO 0.41 -1.02 1.54 0.50 0.70 0.00 0.00 175.22 177.35 2dic s ARG 95 N 2.36 4.23 -0.09 0.44 3.00 -1.26 -2.42 118.95 125.21 2dic s ARG 95 Ca 0.11 2.29 -0.01 0.00 -1.00 0.00 0.00 55.73 57.12 2dic s ARG 95 Cb -0.22 -3.27 0.03 0.00 0.00 0.00 0.00 34.95 31.49 2dic s ARG 95 CO 0.09 -0.60 -0.04 0.08 0.00 0.00 0.00 175.30 174.84 2dic s VAL 96 N 1.45 0.72 -0.48 7.11 1.01 -0.87 -4.86 120.40 124.48 2dic s VAL 96 Ca 0.69 -0.10 -0.28 0.00 0.00 0.00 0.00 61.98 62.30 2dic s VAL 96 Cb -0.41 -0.79 -0.02 0.00 0.00 0.00 0.00 36.38 35.16 2dic s VAL 96 CO 0.31 0.31 1.78 -2.16 0.00 0.00 0.00 175.10 175.34 2dic s PRO 97 N 1.76 3.02 -0.59 2.72 0.04 -1.26 -3.02 135.00 137.66 2dic s PRO 97 Ca 0.04 0.96 -0.21 0.00 0.04 0.00 0.00 61.00 61.83 2dic s PRO 97 Cb -0.13 -4.27 0.07 0.00 0.04 0.00 0.00 34.50 30.22 2dic s PRO 97 CO -0.06 -2.25 0.81 0.08 0.04 0.00 0.00 177.00 175.62 2dic s VAL 98 N 7.77 4.60 0.38 -0.36 1.01 -0.27 -2.86 120.40 130.67 2dic s VAL 98 Ca 0.71 -0.50 0.07 0.00 0.00 0.00 0.00 61.98 62.26 2dic s VAL 98 Cb -0.16 -4.53 -0.00 0.00 0.00 0.00 0.00 36.38 31.68 2dic s VAL 98 CO 0.27 -1.18 0.50 -0.54 0.00 0.00 0.00 175.10 174.15 2dic s LYS 99 N 3.33 2.94 -0.19 2.72 1.02 -0.95 -1.54 119.74 127.07 2dic s LYS 99 Ca 0.18 -1.15 -0.14 0.00 0.02 0.00 0.00 55.97 54.89 2dic s LYS 99 Cb -0.19 -2.76 -0.04 0.00 -0.52 0.00 0.00 37.83 34.32 2dic s LYS 99 CO 0.10 -0.10 0.29 -0.51 -0.92 0.00 0.00 175.35 174.22 2dic s ASP 100 N -4.24 6.37 0.15 2.83 1.11 -1.26 -1.03 116.67 120.59 2dic s ASP 100 Ca 0.49 0.42 -0.22 0.00 0.18 0.00 0.00 52.55 53.42 2dic s ASP 100 Cb -0.09 -2.18 0.03 0.00 1.07 0.00 0.00 42.92 41.75 2dic s ASP 100 CO 0.32 0.04 1.31 0.52 1.18 0.00 0.00 175.17 178.53 2dic n VAL 101 N 3.93 -0.53 -4.23 -1.27 0.31 -1.26 -4.18 118.33 111.10 2dic n VAL 101 Ca -0.12 2.02 -0.34 0.00 -0.01 0.00 0.00 64.34 65.89 2dic n VAL 101 Cb 0.52 -2.56 -0.10 0.00 -0.91 0.00 0.00 33.84 30.79 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 -5.55 4.42 0.16 2.52 1.01 -1.26 -5.11 120.40 116.58 2dic s VAL 102 Ca -0.11 -0.18 0.05 0.00 0.00 0.00 0.00 61.98 61.74 2dic s VAL 102 Cb 0.12 -2.93 -0.04 0.00 0.00 0.00 0.00 36.38 33.53 2dic s VAL 102 CO 0.55 0.52 0.15 -1.81 0.00 0.00 0.00 175.10 174.51 2dic s ASP 103 N -0.10 5.61 -0.15 3.32 1.11 -1.26 -5.07 116.67 120.13 2dic s ASP 103 Ca 0.05 -0.09 -0.29 0.00 0.18 0.00 0.00 52.55 52.40 2dic s ASP 103 Cb -0.12 -1.50 -0.03 0.00 1.07 0.00 0.00 42.92 42.33 2dic s ASP 103 CO 0.02 0.08 1.56 -2.16 1.18 0.00 0.00 175.17 175.85 2dic s PRO 104 N -3.06 4.00 0.00 8.23 0.04 -1.26 -5.21 135.00 137.74 2dic s PRO 104 Ca 0.31 1.84 0.03 0.00 0.04 0.00 0.00 61.00 63.22 2dic s PRO 104 Cb -0.10 -3.97 0.19 0.00 0.04 0.00 0.00 34.50 30.66 2dic s PRO 104 CO 0.24 -1.04 0.67 0.43 0.04 0.00 0.00 177.00 177.34