#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 0.24 -4.96 1.61 2.88 -1.26 -4.93 113.62 107.21 2dic n SER 2 Ca 0.00 1.11 -0.22 0.00 -1.33 0.00 0.00 58.87 58.43 2dic n SER 2 Cb 0.00 -0.87 0.02 0.00 -0.75 0.00 0.00 64.21 62.62 2dic n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dic s SER 3 N 0.63 5.55 0.50 -3.46 1.04 -1.26 -5.08 113.70 111.61 2dic s SER 3 Ca 0.90 0.15 -0.18 0.00 0.48 0.00 0.00 55.95 57.29 2dic s SER 3 Cb -1.26 -1.21 -0.08 0.00 0.10 0.00 0.00 66.02 63.57 2dic s SER 3 CO 0.59 -0.93 1.00 -0.83 0.98 0.00 0.00 173.24 174.05 2dic s GLY 4 N -4.32 2.26 -0.90 7.32 0.00 -1.26 -4.97 107.32 105.45 2dic s GLY 4 Ca 0.53 0.37 -0.25 0.00 0.00 0.00 0.00 44.72 45.37 2dic s GLY 4 CO 0.38 0.66 1.43 -1.35 0.00 0.00 0.00 173.10 174.22 2dic s SER 5 N -2.54 6.26 1.39 1.64 1.04 -1.26 -4.99 113.70 115.24 2dic s SER 5 Ca 0.62 -0.98 -0.21 0.00 0.48 0.00 0.00 55.95 55.86 2dic s SER 5 Cb -0.12 -2.56 0.36 0.00 0.10 0.00 0.00 66.02 63.79 2dic s SER 5 CO 0.25 -1.73 0.89 -1.20 0.98 0.00 0.00 173.24 172.43 2dic n SER 6 N 9.47 -3.48 0.00 7.02 7.64 -1.26 -4.88 113.62 128.13 2dic n SER 6 Ca 0.22 -0.66 0.00 0.00 1.01 0.00 0.00 58.87 59.44 2dic n SER 6 Cb 0.50 -1.07 0.00 0.00 -1.01 0.00 0.00 64.21 62.63 2dic n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dic n GLY 7 N 1.67 0.49 3.67 0.23 0.00 -1.26 -5.01 105.19 104.97 2dic n GLY 7 Ca 0.10 -2.16 -0.43 0.00 0.00 0.00 0.00 46.02 43.53 2dic n GLY 7 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2dic s GLY 8 N 0.00 1.91 0.96 -0.02 0.00 -1.26 -5.02 107.32 103.88 2dic s GLY 8 Ca 0.00 0.39 -0.12 0.00 0.00 0.00 0.00 44.72 44.99 2dic s GLY 8 CO 0.00 2.22 1.09 0.00 0.00 0.00 0.00 173.10 176.41 2dic s GLN 10 N -4.83 1.73 0.00 0.00 -0.21 -0.94 -4.94 119.66 110.48 2dic s GLN 10 Ca 0.65 -2.31 0.15 0.00 0.02 0.00 0.00 55.36 53.87 2dic s GLN 10 Cb -0.20 -3.13 0.83 0.00 1.00 0.00 0.00 33.01 31.51 2dic s GLN 10 CO 0.58 -1.07 1.38 -0.35 -2.12 0.00 0.00 175.29 173.72 2dic n PRO 11 N 3.51 0.33 -0.01 2.91 -0.04 -1.26 -2.32 135.00 138.13 2dic n PRO 11 Ca 0.05 0.08 -0.06 0.00 -0.04 0.00 0.00 63.50 63.53 2dic n PRO 11 Cb 0.35 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.19 2dic n PRO 11 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2dic n SER 12 N -1.16 0.85 0.11 3.54 7.64 -1.26 -3.85 113.62 119.49 2dic n SER 12 Ca 0.09 0.40 0.12 0.00 1.01 0.00 0.00 58.87 60.48 2dic n SER 12 Cb 0.09 0.03 0.46 0.00 -1.01 0.00 0.00 64.21 63.78 2dic n SER 12 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2dic n ARG 13 N -2.99 0.18 -2.17 1.43 5.12 -0.98 -4.79 116.66 112.47 2dic n ARG 13 Ca -0.15 0.36 -0.38 0.00 -1.93 0.00 0.00 57.85 55.75 2dic n ARG 13 Cb 0.99 -1.82 -0.00 0.00 -1.16 0.00 0.00 32.46 30.47 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 -3.25 2.90 -0.03 1.55 1.01 -1.25 -4.45 120.40 116.88 2dic s VAL 14 Ca 0.06 0.71 0.01 0.00 0.00 0.00 0.00 61.98 62.76 2dic s VAL 14 Cb 0.10 -3.38 0.01 0.00 0.00 0.00 0.00 36.38 33.11 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 -2.55 0.59 -0.09 2.72 -0.21 -0.64 -4.84 119.66 114.64 2dic s GLN 15 Ca 0.62 -0.11 0.02 0.00 0.02 0.00 0.00 55.36 55.91 2dic s GLN 15 Cb -0.32 -0.62 0.01 0.00 1.00 0.00 0.00 33.01 33.08 2dic s GLN 15 CO 0.40 -0.01 -0.14 0.00 -2.12 0.00 0.00 175.29 173.42 2dic s ALA 16 N 0.53 1.49 0.20 6.09 0.00 -1.26 -1.01 121.76 127.81 2dic s ALA 16 Ca -0.06 -0.59 -0.16 0.00 0.00 0.00 0.00 51.96 51.15 2dic s ALA 16 Cb -0.10 -0.73 0.02 0.00 0.00 0.00 0.00 23.12 22.31 2dic s ALA 16 CO -0.00 -0.02 0.49 1.14 0.00 0.00 0.00 175.76 177.37 2dic s GLN 17 N 0.90 1.39 0.00 0.00 -2.07 -0.71 -5.01 119.66 114.16 2dic s GLN 17 Ca -0.09 -0.98 0.00 0.00 -1.82 0.00 0.00 55.36 52.46 2dic s GLN 17 Cb -0.15 0.49 0.00 0.00 -1.09 0.00 0.00 33.01 32.26 2dic s GLN 17 CO 0.00 -0.58 0.00 0.41 -1.32 0.00 0.00 175.29 173.80 2dic n GLY 18 N -0.33 0.75 0.10 2.60 0.00 -1.26 0.49 105.19 107.53 2dic n GLY 18 Ca -0.08 -2.14 -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 8.12 0.19 0.00 1.61 0.13 -1.89 -2.04 132.00 138.12 2dic h PRO 19 Ca 0.00 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 65.03 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 0.62 0.56 0.78 -0.23 0.00 0.00 178.00 179.73 2dic h GLY 20 N -0.24 0.00 0.00 1.56 0.00 -0.66 0.32 103.07 104.06 2dic h GLY 20 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.05 2dic h GLY 20 CO 0.02 0.00 -2.09 1.04 0.00 0.00 0.00 176.54 175.51 2dic n LEU 21 N -2.52 1.27 0.05 3.11 4.77 -1.16 -4.64 117.00 117.87 2dic n LEU 21 Ca -0.01 -0.05 -0.12 0.00 -0.03 0.00 0.00 56.01 55.81 2dic n LEU 21 Cb 0.58 -0.08 -0.08 0.00 -2.33 0.00 0.00 43.42 41.51 2dic n LEU 21 CO 0.07 0.58 0.46 0.11 -1.33 0.00 0.00 177.39 177.27 2dic h LYS 22 N 0.00 -0.19 -1.83 3.23 1.57 0.21 -3.42 116.57 116.14 2dic h LYS 22 Ca -0.43 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 2dic h LYS 22 Cb 1.84 0.04 -0.23 0.00 0.08 0.00 0.00 32.23 33.97 2dic h LYS 22 CO -0.02 0.26 0.28 -1.83 -0.57 0.00 0.00 179.45 177.58 2dic s GLU 23 N -3.67 0.72 0.21 3.15 -1.05 0.72 -4.60 118.70 114.18 2dic s GLU 23 Ca -0.14 0.73 0.02 0.00 -0.15 0.00 0.00 54.97 55.44 2dic s GLU 23 Cb 0.01 0.35 -0.01 0.00 -0.44 0.00 0.00 34.13 34.04 2dic s GLU 23 CO 0.53 -0.11 0.08 0.00 0.95 0.00 0.00 175.26 176.70 2dic n ALA 24 N 2.23 0.30 -2.47 -0.84 0.00 -1.21 -4.29 120.51 114.23 2dic n ALA 24 Ca -0.14 -1.08 -0.11 0.00 0.00 0.00 0.00 53.44 52.12 2dic n ALA 24 Cb 0.56 0.73 -0.09 0.00 0.00 0.00 0.00 19.45 20.65 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 -2.35 0.92 -0.08 0.00 0.40 -1.26 -3.10 117.98 112.51 2dic s PHE 25 Ca 0.11 -1.19 -0.29 0.00 -0.60 0.00 0.00 56.93 54.96 2dic s PHE 25 Cb 0.01 -0.35 -0.02 0.00 0.51 0.00 0.00 43.02 43.17 2dic s PHE 25 CO 0.08 -0.73 0.97 0.95 0.70 0.00 0.00 175.22 177.18 2dic s THR 26 N -4.12 4.83 -1.42 0.64 -4.23 0.01 -3.51 115.64 107.85 2dic s THR 26 Ca 0.34 1.97 -0.03 0.00 -1.18 0.00 0.00 61.69 62.79 2dic s THR 26 Cb 0.05 -4.28 0.00 0.00 1.34 0.00 0.00 72.50 69.61 2dic s THR 26 CO 0.11 0.06 0.44 0.59 -0.54 0.00 0.00 174.62 175.28 2dic n ASN 27 N 4.67 -5.58 -4.25 3.99 3.02 -0.02 -4.69 115.26 112.41 2dic n ASN 27 Ca 0.07 -0.21 -0.25 0.00 -0.03 0.00 0.00 54.58 54.16 2dic n ASN 27 Cb 0.49 -4.45 -0.14 0.00 -0.61 0.00 0.00 39.78 35.08 2dic n ASN 27 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2dic s LYS 28 N -5.45 1.28 -0.29 3.52 1.02 -1.23 -4.99 119.74 113.60 2dic s LYS 28 Ca 0.22 -0.98 -0.29 0.00 0.02 0.00 0.00 55.97 54.94 2dic s LYS 28 Cb -0.10 -1.42 -0.02 0.00 -0.52 0.00 0.00 37.83 35.78 2dic s LYS 28 CO 0.27 0.35 1.65 -1.25 -0.92 0.00 0.00 175.35 175.46 2dic s PRO 29 N -1.36 3.60 -0.15 -1.68 0.04 -1.26 -4.41 135.00 129.78 2dic s PRO 29 Ca 0.07 1.48 0.01 0.00 0.04 0.00 0.00 61.00 62.60 2dic s PRO 29 Cb -0.09 -4.09 0.02 0.00 0.04 0.00 0.00 34.50 30.37 2dic s PRO 29 CO 0.02 -1.54 -0.18 -0.80 0.04 0.00 0.00 177.00 174.55 2dic s ASN 30 N 4.87 2.86 0.34 6.66 0.01 -0.85 -5.00 114.94 123.84 2dic s ASN 30 Ca 0.73 -0.55 0.04 0.00 -0.71 0.00 0.00 52.86 52.37 2dic s ASN 30 Cb -0.22 -1.31 -0.05 0.00 0.41 0.00 0.00 41.25 40.07 2dic s ASN 30 CO 0.31 -0.00 0.07 0.68 -1.51 0.00 0.00 177.10 176.66 2dic s VAL 31 N 1.21 1.05 -0.00 1.60 -7.23 -1.26 -0.97 120.40 114.80 2dic s VAL 31 Ca 0.01 -2.00 -0.22 0.00 -1.81 0.00 0.00 61.98 57.95 2dic s VAL 31 Cb -0.14 -2.68 0.05 0.00 0.56 0.00 0.00 36.38 34.17 2dic s VAL 31 CO -0.08 0.00 0.49 0.72 -0.31 0.00 0.00 175.10 175.92 2dic s PHE 32 N -3.29 -0.40 -0.22 2.82 -0.71 -1.18 -0.06 117.98 114.95 2dic s PHE 32 Ca 0.33 0.59 -0.21 0.00 -1.04 0.00 0.00 56.93 56.60 2dic s PHE 32 Cb 0.07 0.27 -0.02 0.00 -1.21 0.00 0.00 43.02 42.13 2dic s PHE 32 CO 0.15 -0.54 0.66 0.99 -1.34 0.00 0.00 175.22 175.13 2dic s THR 33 N -1.70 4.99 -0.30 -4.49 2.01 0.18 -4.04 115.64 112.28 2dic s THR 33 Ca -0.10 1.22 -0.01 0.00 0.31 0.00 0.00 61.69 63.12 2dic s THR 33 Cb -0.02 -3.96 0.06 0.00 0.01 0.00 0.00 72.50 68.59 2dic s THR 33 CO 0.04 0.06 -0.00 -0.69 -0.69 0.00 0.00 174.62 173.34 2dic s VAL 34 N 2.19 2.81 -0.26 3.82 1.01 -1.16 -1.75 120.40 127.07 2dic s VAL 34 Ca 0.29 -1.54 -0.17 0.00 0.00 0.00 0.00 61.98 60.56 2dic s VAL 34 Cb -0.16 -2.68 -0.03 0.00 0.00 0.00 0.00 36.38 33.52 2dic s VAL 34 CO 0.10 -0.17 0.46 -0.69 0.00 0.00 0.00 175.10 174.79 2dic s VAL 35 N 1.19 5.12 -0.29 2.92 1.01 -0.18 -1.51 120.40 128.66 2dic s VAL 35 Ca -0.04 0.76 0.13 0.00 0.00 0.00 0.00 61.98 62.83 2dic s VAL 35 Cb -0.20 -3.78 0.47 0.00 0.00 0.00 0.00 36.38 32.88 2dic s VAL 35 CO -0.02 0.12 1.15 0.35 0.00 0.00 0.00 175.10 176.70 2dic n THR 36 N 5.08 2.06 -0.02 3.92 -2.24 -1.26 -1.62 114.28 120.19 2dic n THR 36 Ca -0.06 -3.79 -0.13 0.00 -2.27 0.00 0.00 64.05 57.80 2dic n THR 36 Cb 0.50 -0.28 -0.10 0.00 -2.10 0.00 0.00 70.33 68.35 2dic n THR 36 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 2dic h ARG 37 N 2.36 0.01 -0.01 -0.78 2.47 -1.87 -3.29 114.38 113.28 2dic h ARG 37 Ca 0.18 -0.01 -0.22 0.00 -1.26 0.00 0.00 59.98 58.68 2dic h ARG 37 Cb 1.41 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.73 2dic h ARG 37 CO 0.56 0.57 -0.91 0.78 0.56 0.00 0.00 179.97 181.54 2dic h GLY 38 N -0.54 0.41 -0.59 0.04 0.00 -1.88 -3.29 103.07 97.21 2dic h GLY 38 Ca 0.00 -0.70 0.17 0.00 0.00 0.00 0.00 47.33 46.79 2dic h GLY 38 CO 0.00 0.62 -0.17 0.00 0.00 0.00 0.00 176.54 177.00 2dic h ALA 39 N 0.81 0.59 0.00 3.60 0.00 -1.74 -3.45 119.26 119.07 2dic h ALA 39 Ca -0.07 0.31 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2dic h ALA 39 Cb 1.53 0.59 0.00 0.00 0.00 0.00 0.00 17.79 19.91 2dic h ALA 39 CO 0.15 -0.41 0.00 0.41 0.00 0.00 0.00 179.25 179.40 2dic n GLY 40 N -1.51 0.38 2.96 0.00 0.00 -1.24 -2.21 105.19 103.56 2dic n GLY 40 Ca 0.12 -1.47 -0.31 0.00 0.00 0.00 0.00 46.02 44.37 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 1.89 -0.10 -0.61 1.01 -1.26 -4.91 121.20 117.22 2dic s ILE 41 Ca 0.00 -1.97 -0.17 0.00 0.00 0.00 0.00 60.65 58.51 2dic s ILE 41 Cb 0.00 -2.34 0.04 0.00 0.01 0.00 0.00 42.46 40.17 2dic s ILE 41 CO 0.00 -0.51 0.43 -0.83 0.00 0.00 0.00 174.94 174.03 2dic s GLY 42 N 1.12 -0.31 -0.16 6.18 0.00 -1.26 -4.87 107.32 108.03 2dic s GLY 42 Ca 0.07 0.95 -0.29 0.00 0.00 0.00 0.00 44.72 45.45 2dic s GLY 42 CO -0.11 0.74 2.15 0.61 0.00 0.00 0.00 173.10 176.48 2dic n GLY 43 N 2.04 1.23 3.63 0.20 0.00 -1.26 -4.60 105.19 106.42 2dic n GLY 43 Ca -0.17 0.80 -0.42 0.00 0.00 0.00 0.00 46.02 46.24 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 7.12 4.07 -0.31 0.99 2.96 -1.26 0.05 118.68 132.30 2dic s LEU 44 Ca 0.98 0.95 0.02 0.00 -0.22 0.00 0.00 54.13 55.86 2dic s LEU 44 Cb -0.41 -3.20 0.08 0.00 0.50 0.00 0.00 46.19 43.16 2dic s LEU 44 CO 0.38 -0.58 0.00 -0.83 -1.32 0.00 0.00 176.35 174.01 2dic s GLY 45 N 1.44 1.82 -0.12 7.98 0.00 -0.48 -5.01 107.32 112.95 2dic s GLY 45 Ca 0.35 -2.18 -0.02 0.00 0.00 0.00 0.00 44.72 42.87 2dic s GLY 45 CO 0.09 0.80 -0.05 -0.42 0.00 0.00 0.00 173.10 173.53 2dic s ILE 46 N 1.03 3.86 0.17 0.90 1.01 -1.26 -2.13 121.20 124.78 2dic s ILE 46 Ca 0.02 -0.39 -0.03 0.00 0.00 0.00 0.00 60.65 60.25 2dic s ILE 46 Cb -0.20 -2.65 -0.03 0.00 0.01 0.00 0.00 42.46 39.59 2dic s ILE 46 CO -0.06 0.54 0.16 0.42 0.00 0.00 0.00 174.94 176.00 2dic s THR 47 N -0.12 0.05 -0.05 2.92 -4.23 -0.03 -5.00 115.64 109.18 2dic s THR 47 Ca 0.02 -1.82 0.01 0.00 -1.18 0.00 0.00 61.69 58.73 2dic s THR 47 Cb -0.13 -2.19 0.02 0.00 1.34 0.00 0.00 72.50 71.53 2dic s THR 47 CO 0.03 -0.23 -0.07 -0.69 -0.54 0.00 0.00 174.62 173.11 2dic s VAL 48 N -4.07 0.77 0.02 2.29 1.01 -1.26 -0.97 120.40 118.18 2dic s VAL 48 Ca 0.28 -0.26 0.06 0.00 0.00 0.00 0.00 61.98 62.07 2dic s VAL 48 Cb 0.06 -0.75 -0.03 0.00 0.00 0.00 0.00 36.38 35.66 2dic s VAL 48 CO 0.06 0.28 -0.17 -1.61 0.00 0.00 0.00 175.10 173.66 2dic s GLU 49 N 0.83 2.18 -0.00 2.72 2.02 -0.98 -4.67 118.70 120.81 2dic s GLU 49 Ca -0.12 -0.91 -0.00 0.00 0.02 0.00 0.00 54.97 53.95 2dic s GLU 49 Cb -0.15 -2.24 0.00 0.00 0.10 0.00 0.00 34.13 31.84 2dic s GLU 49 CO 0.01 0.56 0.01 0.41 0.02 0.00 0.00 175.26 176.27 2dic n GLY 50 N 1.69 0.40 0.00 -1.39 0.00 -1.26 -1.47 105.19 103.15 2dic n GLY 50 Ca -0.16 -0.80 0.07 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.01 0.09 -3.71 1.61 -0.04 -1.26 -4.68 135.00 127.00 2dic n PRO 51 Ca 0.00 0.21 -0.13 0.00 -0.04 0.00 0.00 63.50 63.55 2dic n PRO 51 Cb 0.00 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 31.87 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 -2.81 -0.50 0.26 3.54 1.04 -1.26 -4.98 113.70 108.98 2dic s SER 52 Ca 0.10 0.93 -0.31 0.00 0.48 0.00 0.00 55.95 57.15 2dic s SER 52 Cb 0.09 0.92 -0.12 0.00 0.10 0.00 0.00 66.02 67.01 2dic s SER 52 CO 0.24 -0.17 1.65 1.21 0.98 0.00 0.00 173.24 177.15 2dic n GLU 53 N 3.16 2.72 -4.31 4.02 4.07 -1.26 -4.63 120.64 124.40 2dic n GLU 53 Ca -0.15 0.97 -0.33 0.00 -0.06 0.00 0.00 57.16 57.58 2dic n GLU 53 Cb 0.57 -2.78 -0.09 0.00 -0.06 0.00 0.00 31.44 29.08 2dic n GLU 53 CO 0.00 0.00 0.00 -1.12 -0.06 0.00 0.00 177.13 175.95 2dic s SER 54 N 0.76 5.17 -0.80 4.31 0.01 -1.26 -4.31 113.70 117.59 2dic s SER 54 Ca 0.69 0.05 -0.26 0.00 1.31 0.00 0.00 55.95 57.73 2dic s SER 54 Cb -0.50 -1.39 0.04 0.00 0.21 0.00 0.00 66.02 64.37 2dic s SER 54 CO 0.42 0.31 1.31 -0.54 0.41 0.00 0.00 173.24 175.15 2dic s LYS 55 N -1.33 3.27 0.16 12.44 1.02 -0.85 -4.79 119.74 129.66 2dic s LYS 55 Ca 0.18 -0.44 -0.10 0.00 0.02 0.00 0.00 55.97 55.62 2dic s LYS 55 Cb -0.11 -4.43 -0.06 0.00 -0.52 0.00 0.00 37.83 32.70 2dic s LYS 55 CO 0.08 -2.15 0.48 0.42 -0.92 0.00 0.00 175.35 173.25 2dic s ILE 56 N 5.53 5.00 -0.23 2.17 1.01 -1.26 -2.33 121.20 131.09 2dic s ILE 56 Ca 0.37 0.46 -0.04 0.00 0.00 0.00 0.00 60.65 61.45 2dic s ILE 56 Cb -0.07 -3.65 0.12 0.00 0.01 0.00 0.00 42.46 38.88 2dic s ILE 56 CO 0.10 0.11 0.38 0.20 0.00 0.00 0.00 174.94 175.73 2dic s ASN 57 N -2.08 0.12 0.08 3.58 0.01 0.59 -4.98 114.94 112.27 2dic s ASN 57 Ca 0.41 0.41 -0.08 0.00 -0.71 0.00 0.00 52.86 52.89 2dic s ASN 57 Cb -0.13 1.16 -0.06 0.00 0.41 0.00 0.00 41.25 42.64 2dic s ASN 57 CO 0.21 -0.28 0.37 0.00 -1.51 0.00 0.00 177.10 175.89 2dic s ARG 59 N -2.07 1.33 -0.27 0.00 1.81 -0.11 -5.02 118.95 114.63 2dic s ARG 59 Ca 0.34 -1.53 -0.10 0.00 -1.72 0.00 0.00 55.73 52.72 2dic s ARG 59 Cb -0.13 -1.24 -0.04 0.00 -0.45 0.00 0.00 34.95 33.09 2dic s ARG 59 CO 0.19 0.23 0.15 0.16 -0.68 0.00 0.00 175.30 175.35 2dic s ASP 60 N -3.09 5.76 -0.19 0.23 1.47 -1.26 -3.62 116.67 115.97 2dic s ASP 60 Ca 0.20 -0.05 -0.04 0.00 1.18 0.00 0.00 52.55 53.84 2dic s ASP 60 Cb -0.03 -2.06 -0.02 0.00 -0.34 0.00 0.00 42.92 40.47 2dic s ASP 60 CO 0.07 -0.03 -0.02 0.20 0.68 0.00 0.00 175.17 176.07 2dic s ASN 61 N 1.63 4.63 -0.39 2.11 0.01 -1.26 -5.00 114.94 116.67 2dic s ASN 61 Ca 0.07 -0.25 -0.03 0.00 -0.71 0.00 0.00 52.86 51.94 2dic s ASN 61 Cb -0.15 -1.78 0.07 0.00 0.41 0.00 0.00 41.25 39.80 2dic s ASN 61 CO 0.08 0.06 2.66 0.29 -1.51 0.00 0.00 177.10 178.68 2dic n LYS 62 N 4.23 2.23 0.04 -0.60 5.02 -1.26 -4.16 118.16 123.66 2dic n LYS 62 Ca -0.17 -2.07 0.00 0.00 -2.02 0.00 0.00 58.31 54.05 2dic n LYS 62 Cb 0.52 -2.01 0.00 0.00 -0.02 0.00 0.00 35.03 33.52 2dic n LYS 62 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2dic n ASP 63 N 0.86 0.50 0.00 4.39 9.92 -1.26 -5.06 116.55 125.91 2dic n ASP 63 Ca 0.44 0.14 0.00 0.00 -0.53 0.00 0.00 54.79 54.84 2dic n ASP 63 Cb 0.58 -0.10 0.00 0.00 -0.64 0.00 0.00 41.12 40.96 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 2.90 0.00 3.90 0.44 0.00 -1.26 -5.17 105.19 106.00 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 -1.35 0.00 0.00 0.00 173.32 171.97 2dic s SER 65 N 0.00 0.01 -0.01 1.61 1.04 -1.26 -4.42 113.70 110.67 2dic s SER 65 Ca 0.00 -0.66 0.05 0.00 0.48 0.00 0.00 55.95 55.82 2dic s SER 65 Cb 0.00 0.48 -0.01 0.00 0.10 0.00 0.00 66.02 66.59 2dic s SER 65 CO 0.00 -0.96 -0.16 0.00 0.98 0.00 0.00 173.24 173.09 2dic s SER 67 N -0.42 4.83 -0.07 0.00 0.01 -1.24 -2.96 113.70 113.85 2dic s SER 67 Ca 0.06 -0.16 0.01 0.00 1.31 0.00 0.00 55.95 57.18 2dic s SER 67 Cb -0.06 -1.81 0.02 0.00 0.21 0.00 0.00 66.02 64.38 2dic s SER 67 CO -0.01 0.12 -0.08 0.00 0.41 0.00 0.00 173.24 173.69 2dic s ALA 68 N 0.65 1.06 0.07 1.44 0.00 -1.26 -0.93 121.76 122.78 2dic s ALA 68 Ca -0.01 -0.32 0.09 0.00 0.00 0.00 0.00 51.96 51.72 2dic s ALA 68 Cb -0.14 -0.63 -0.03 0.00 0.00 0.00 0.00 23.12 22.32 2dic s ALA 68 CO 0.02 -0.11 -0.25 -1.83 0.00 0.00 0.00 175.76 173.59 2dic s GLU 69 N 1.12 1.59 0.01 0.00 -1.05 -0.79 -3.08 118.70 116.50 2dic s GLU 69 Ca -0.07 -1.14 -0.07 0.00 -0.15 0.00 0.00 54.97 53.55 2dic s GLU 69 Cb -0.14 -1.83 -0.00 0.00 -0.44 0.00 0.00 34.13 31.71 2dic s GLU 69 CO -0.01 0.46 0.13 1.52 0.95 0.00 0.00 175.26 178.31 2dic s TYR 70 N -0.88 0.07 -0.23 4.83 -0.85 -0.14 -0.30 117.35 119.85 2dic s TYR 70 Ca 0.11 -0.21 -0.04 0.00 -0.52 0.00 0.00 57.07 56.41 2dic s TYR 70 Cb -0.10 -0.07 0.08 0.00 0.38 0.00 0.00 41.96 42.26 2dic s TYR 70 CO 0.03 -0.30 0.11 0.42 -1.52 0.00 0.00 175.55 174.29 2dic s ILE 71 N -1.61 -0.03 1.01 -3.49 1.01 -0.98 -2.01 121.20 115.10 2dic s ILE 71 Ca -0.13 -0.49 -0.13 0.00 0.00 0.00 0.00 60.65 59.90 2dic s ILE 71 Cb -0.07 -0.81 0.20 0.00 0.01 0.00 0.00 42.46 41.79 2dic s ILE 71 CO 0.00 -0.50 1.09 -2.16 0.00 0.00 0.00 174.94 173.38 2dic s PRO 72 N 2.10 0.30 0.00 2.79 0.04 -1.26 -2.00 135.00 136.96 2dic s PRO 72 Ca 0.05 0.48 0.00 0.00 0.04 0.00 0.00 61.00 61.57 2dic s PRO 72 Cb -0.16 -1.72 0.00 0.00 0.04 0.00 0.00 34.50 32.65 2dic s PRO 72 CO -0.23 -2.81 0.00 1.19 0.04 0.00 0.00 177.00 175.19 2dic n PHE 73 N -4.23 0.00 -3.87 0.56 3.01 -1.26 -0.84 117.46 110.83 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 -1.68 -0.19 0.60 4.37 0.00 -1.26 -4.76 121.76 118.84 2dic s ALA 74 Ca 0.00 0.06 -0.17 0.00 0.00 0.00 0.00 51.96 51.84 2dic s ALA 74 Cb 0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 23.12 23.03 2dic s ALA 74 CO 0.00 -0.09 1.12 -1.25 0.00 0.00 0.00 175.76 175.54 2dic s PRO 75 N -0.44 3.09 0.00 0.00 0.04 -1.26 -4.77 135.00 131.66 2dic s PRO 75 Ca -0.05 1.50 0.00 0.00 0.04 0.00 0.00 61.00 62.49 2dic s PRO 75 Cb -0.03 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.53 2dic s PRO 75 CO 0.00 -1.04 0.00 0.41 0.04 0.00 0.00 177.00 176.41 2dic n GLY 76 N -0.17 -0.21 3.56 0.56 0.00 -0.32 -4.90 105.19 103.70 2dic n GLY 76 Ca 0.11 -1.46 -0.41 0.00 0.00 0.00 0.00 46.02 44.26 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 6.26 0.22 1.61 1.47 -1.26 -1.62 116.67 119.35 2dic s ASP 77 Ca 0.00 -0.07 0.06 0.00 1.18 0.00 0.00 52.55 53.73 2dic s ASP 77 Cb 0.00 -2.24 -0.04 0.00 -0.34 0.00 0.00 42.92 40.31 2dic s ASP 77 CO 0.00 -0.40 0.16 -0.31 0.68 0.00 0.00 175.17 175.30 2dic s TYR 78 N 2.22 3.10 -0.21 2.11 1.51 -1.14 -4.66 117.35 120.28 2dic s TYR 78 Ca 0.16 -0.08 -0.02 0.00 -1.01 0.00 0.00 57.07 56.12 2dic s TYR 78 Cb -0.16 -1.43 0.06 0.00 -0.11 0.00 0.00 41.96 40.32 2dic s TYR 78 CO 0.12 0.52 0.01 -0.51 -1.11 0.00 0.00 175.55 174.59 2dic s ASP 79 N -3.52 3.26 -0.49 2.29 1.01 -0.54 -1.76 116.67 116.91 2dic s ASP 79 Ca 0.32 -0.97 -0.29 0.00 0.71 0.00 0.00 52.55 52.32 2dic s ASP 79 Cb -0.09 -0.79 0.03 0.00 1.01 0.00 0.00 42.92 43.08 2dic s ASP 79 CO 0.24 -0.29 1.16 -0.69 0.21 0.00 0.00 175.17 175.80 2dic s VAL 80 N 1.70 4.16 -0.26 -1.27 1.01 -0.94 -2.31 120.40 122.51 2dic s VAL 80 Ca -0.02 1.17 -0.19 0.00 0.00 0.00 0.00 61.98 62.94 2dic s VAL 80 Cb -0.18 -4.61 -0.02 0.00 0.00 0.00 0.00 36.38 31.57 2dic s VAL 80 CO -0.08 -1.05 0.57 0.20 0.00 0.00 0.00 175.10 174.74 2dic s ASN 81 N 2.60 6.51 -0.15 3.32 0.01 -0.15 -1.99 114.94 125.09 2dic s ASN 81 Ca 0.48 0.61 -0.00 0.00 -0.71 0.00 0.00 52.86 53.24 2dic s ASN 81 Cb -0.07 -2.31 0.03 0.00 0.41 0.00 0.00 41.25 39.31 2dic s ASN 81 CO 0.31 -0.33 -0.08 -0.63 -1.51 0.00 0.00 177.10 174.87 2dic s ILE 82 N 2.39 1.23 0.02 0.60 1.01 -1.26 -0.85 121.20 124.35 2dic s ILE 82 Ca 0.24 -0.60 0.05 0.00 0.00 0.00 0.00 60.65 60.34 2dic s ILE 82 Cb -0.16 -1.31 -0.02 0.00 0.01 0.00 0.00 42.46 40.98 2dic s ILE 82 CO 0.09 0.24 -0.15 0.42 0.00 0.00 0.00 174.94 175.54 2dic s THR 83 N 1.60 1.23 -0.46 2.92 -4.23 -0.91 -2.66 115.64 113.13 2dic s THR 83 Ca 0.02 -0.90 -0.08 0.00 -1.18 0.00 0.00 61.69 59.55 2dic s THR 83 Cb -0.14 -1.07 0.12 0.00 1.34 0.00 0.00 72.50 72.74 2dic s THR 83 CO -0.08 0.16 0.32 -0.47 -0.54 0.00 0.00 174.62 174.00 2dic s TYR 84 N -0.66 3.46 0.00 3.99 5.04 0.12 -1.38 117.35 127.91 2dic s TYR 84 Ca 0.04 -1.98 0.00 0.00 -2.44 0.00 0.00 57.07 52.70 2dic s TYR 84 Cb -0.07 -3.45 0.00 0.00 0.35 0.00 0.00 41.96 38.78 2dic s TYR 84 CO 0.01 -0.99 0.00 0.41 -1.34 0.00 0.00 175.55 173.64 2dic n GLY 85 N 4.85 2.22 0.47 8.97 0.00 0.11 -3.13 105.19 118.68 2dic n GLY 85 Ca -0.07 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 0.85 3.19 -0.02 0.00 -1.26 -4.88 105.19 103.06 2dic n GLY 86 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 1.14 -0.20 4.61 0.00 -1.18 -5.14 121.76 120.99 2dic s ALA 87 Ca 0.00 -1.27 -0.12 0.00 0.00 0.00 0.00 51.96 50.57 2dic s ALA 87 Cb 0.00 0.05 -0.05 0.00 0.00 0.00 0.00 23.12 23.13 2dic s ALA 87 CO 0.00 -0.08 0.24 -1.01 0.00 0.00 0.00 175.76 174.91 2dic s HIS 88 N -2.79 3.40 0.60 0.00 0.09 -1.26 -0.71 115.29 114.61 2dic s HIS 88 Ca 0.08 0.44 -0.18 0.00 -0.00 0.00 0.00 55.06 55.41 2dic s HIS 88 Cb -0.01 -2.31 -0.03 0.00 -0.00 0.00 0.00 32.58 30.23 2dic s HIS 88 CO -0.01 0.16 1.15 0.96 -0.00 0.00 0.00 174.74 177.01 2dic s ILE 89 N 0.75 2.95 -0.74 0.60 -4.36 -1.09 -4.88 121.20 114.42 2dic s ILE 89 Ca 0.13 0.55 -0.26 0.00 -0.26 0.00 0.00 60.65 60.81 2dic s ILE 89 Cb -0.13 -3.17 -0.03 0.00 1.25 0.00 0.00 42.46 40.38 2dic s ILE 89 CO 0.03 -0.17 1.90 -2.16 0.24 0.00 0.00 174.94 174.78 2dic s PRO 90 N -3.51 2.60 0.00 0.37 0.04 -1.25 -2.69 135.00 130.55 2dic s PRO 90 Ca 0.73 0.20 0.00 0.00 0.04 0.00 0.00 61.00 61.97 2dic s PRO 90 Cb -0.26 -4.69 0.00 0.00 0.04 0.00 0.00 34.50 29.59 2dic s PRO 90 CO 0.33 -3.02 0.00 0.41 0.04 0.00 0.00 177.00 174.76 2dic n GLY 91 N 6.22 0.44 3.73 0.56 0.00 -1.26 -5.00 105.19 109.88 2dic n GLY 91 Ca 0.29 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.04 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 5.19 0.57 1.61 0.15 -1.10 -3.76 113.70 116.37 2dic s SER 92 Ca 0.00 -0.20 -0.18 0.00 0.70 0.00 0.00 55.95 56.26 2dic s SER 92 Cb 0.00 -1.27 -0.04 0.00 -1.71 0.00 0.00 66.02 63.00 2dic s SER 92 CO 0.00 0.11 1.13 -2.16 1.20 0.00 0.00 173.24 173.52 2dic s PRO 93 N -2.80 3.22 -0.39 5.44 0.04 -1.26 -4.89 135.00 134.35 2dic s PRO 93 Ca 0.29 1.56 -0.13 0.00 0.04 0.00 0.00 61.00 62.75 2dic s PRO 93 Cb -0.10 -1.99 0.02 0.00 0.04 0.00 0.00 34.50 32.46 2dic s PRO 93 CO 0.21 -0.95 0.26 -0.06 0.04 0.00 0.00 177.00 176.50 2dic s PHE 94 N -1.91 3.24 0.09 0.56 0.40 -0.84 -4.80 117.98 114.72 2dic s PHE 94 Ca 0.71 -0.70 -0.31 0.00 -0.60 0.00 0.00 56.93 56.04 2dic s PHE 94 Cb -0.23 -2.53 -0.08 0.00 0.51 0.00 0.00 43.02 40.69 2dic s PHE 94 CO 0.31 -0.60 1.51 0.50 0.70 0.00 0.00 175.22 177.64 2dic s ARG 95 N 1.64 4.25 -0.14 0.44 3.00 -1.26 -2.20 118.95 124.68 2dic s ARG 95 Ca 0.04 2.20 -0.00 0.00 -1.00 0.00 0.00 55.73 56.97 2dic s ARG 95 Cb -0.19 -3.38 0.03 0.00 0.00 0.00 0.00 34.95 31.41 2dic s ARG 95 CO 0.09 -0.59 -0.08 0.08 0.00 0.00 0.00 175.30 174.80 2dic s VAL 96 N 1.78 1.17 -0.64 7.11 1.01 -0.72 -4.90 120.40 125.20 2dic s VAL 96 Ca 0.69 -0.47 -0.26 0.00 0.00 0.00 0.00 61.98 61.93 2dic s VAL 96 Cb -0.39 -1.21 -0.02 0.00 0.00 0.00 0.00 36.38 34.76 2dic s VAL 96 CO 0.30 0.31 1.87 -2.16 0.00 0.00 0.00 175.10 175.42 2dic s PRO 97 N 1.64 2.62 -0.55 2.72 0.04 -1.26 -2.87 135.00 137.33 2dic s PRO 97 Ca 0.04 0.51 -0.23 0.00 0.04 0.00 0.00 61.00 61.36 2dic s PRO 97 Cb -0.13 -4.46 0.05 0.00 0.04 0.00 0.00 34.50 29.99 2dic s PRO 97 CO -0.08 -2.80 0.91 0.08 0.04 0.00 0.00 177.00 175.14 2dic s VAL 98 N 9.18 4.44 0.57 -0.36 1.01 -0.64 -3.36 120.40 131.24 2dic s VAL 98 Ca 0.67 0.15 -0.01 0.00 0.00 0.00 0.00 61.98 62.80 2dic s VAL 98 Cb -0.12 -4.52 0.03 0.00 0.00 0.00 0.00 36.38 31.77 2dic s VAL 98 CO 0.18 -1.10 0.82 -0.54 0.00 0.00 0.00 175.10 174.46 2dic s LYS 99 N 3.81 2.53 -0.20 2.72 1.02 -1.18 -1.18 119.74 127.27 2dic s LYS 99 Ca 0.28 -0.64 -0.05 0.00 0.02 0.00 0.00 55.97 55.59 2dic s LYS 99 Cb -0.14 -2.43 -0.02 0.00 -0.52 0.00 0.00 37.83 34.73 2dic s LYS 99 CO 0.18 -0.78 -0.01 0.16 -0.92 0.00 0.00 175.35 173.98 2dic s ASP 100 N -4.42 4.75 0.28 2.83 1.47 -1.26 -0.81 116.67 119.52 2dic s ASP 100 Ca 0.57 -0.22 -0.05 0.00 1.18 0.00 0.00 52.55 54.03 2dic s ASP 100 Cb -0.10 -1.81 0.54 0.00 -0.34 0.00 0.00 42.92 41.21 2dic s ASP 100 CO 0.40 0.07 1.54 0.52 0.68 0.00 0.00 175.17 178.37 2dic n VAL 101 N 4.22 -0.41 -4.39 2.11 0.31 -1.26 -4.20 118.33 114.70 2dic n VAL 101 Ca -0.17 2.23 -0.34 0.00 -0.01 0.00 0.00 64.34 66.05 2dic n VAL 101 Cb 0.52 -3.14 -0.11 0.00 -0.91 0.00 0.00 33.84 30.20 2dic n VAL 101 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 2dic s VAL 102 N -6.17 4.12 -0.10 2.52 -7.23 -1.26 -5.11 120.40 107.18 2dic s VAL 102 Ca -0.14 -0.30 -0.18 0.00 -1.81 0.00 0.00 61.98 59.54 2dic s VAL 102 Cb 0.27 -2.76 0.04 0.00 0.56 0.00 0.00 36.38 34.49 2dic s VAL 102 CO 0.77 0.55 0.46 1.51 -0.31 0.00 0.00 175.10 178.08 2dic s ASP 103 N -0.33 -0.42 0.18 4.85 1.47 -1.26 -5.15 116.67 116.00 2dic s ASP 103 Ca 0.06 0.62 -0.30 0.00 1.18 0.00 0.00 52.55 54.11 2dic s ASP 103 Cb -0.12 0.67 -0.08 0.00 -0.34 0.00 0.00 42.92 43.04 2dic s ASP 103 CO 0.02 -0.34 1.32 -2.16 0.68 0.00 0.00 175.17 174.69 2dic s PRO 104 N -0.54 4.38 0.00 2.11 0.04 -1.26 -5.20 135.00 134.53 2dic s PRO 104 Ca -0.07 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.02 2dic s PRO 104 Cb -0.03 -3.21 0.00 0.00 0.04 0.00 0.00 34.50 31.29 2dic s PRO 104 CO 0.04 -0.29 0.42 0.45 0.04 0.00 0.00 177.00 177.66