#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 4.23 -0.01 1.61 1.04 -1.26 -5.05 113.70 114.26 2dic s SER 2 Ca 0.00 -1.63 0.17 0.00 0.48 0.00 0.00 55.95 54.97 2dic s SER 2 Cb 0.00 0.61 -0.20 0.00 0.10 0.00 0.00 66.02 66.53 2dic s SER 2 CO 0.00 -0.94 0.64 -1.54 0.98 0.00 0.00 173.24 172.38 2dic n SER 3 N -1.37 0.85 -1.76 7.02 3.41 -1.26 -5.07 113.62 115.44 2dic n SER 3 Ca -0.18 -0.69 -0.01 0.00 -0.26 0.00 0.00 58.87 57.73 2dic n SER 3 Cb 0.67 1.19 -0.01 0.00 -0.26 0.00 0.00 64.21 65.79 2dic n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dic n GLY 4 N 1.42 -3.42 3.13 5.00 0.00 -1.26 -5.10 105.19 104.97 2dic n GLY 4 Ca 0.02 0.08 0.03 0.00 0.00 0.00 0.00 46.02 46.15 2dic n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dic s SER 5 N -0.20 -1.28 -0.49 1.61 0.01 -1.26 -5.11 113.70 106.98 2dic s SER 5 Ca -0.05 0.70 -0.27 0.00 1.31 0.00 0.00 55.95 57.63 2dic s SER 5 Cb 0.00 2.05 -0.03 0.00 0.21 0.00 0.00 66.02 68.25 2dic s SER 5 CO 0.18 -0.27 2.01 -0.94 0.41 0.00 0.00 173.24 174.63 2dic s SER 6 N 2.83 5.21 0.00 2.44 1.04 -1.26 -4.79 113.70 119.16 2dic s SER 6 Ca 0.18 0.84 0.00 0.00 0.48 0.00 0.00 55.95 57.45 2dic s SER 6 Cb -0.14 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.46 2dic s SER 6 CO -0.22 -2.33 0.00 0.61 0.98 0.00 0.00 173.24 172.28 2dic n GLY 7 N 5.72 3.97 0.52 7.32 0.00 -1.26 -5.16 105.19 116.30 2dic n GLY 7 Ca 0.26 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.43 -0.99 3.39 -0.02 0.00 -1.26 -4.99 105.19 99.89 2dic n GLY 8 Ca 0.00 -0.77 -0.15 0.00 0.00 0.00 0.00 46.02 45.10 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 -3.44 0.23 0.15 0.00 1.11 -0.71 -5.00 119.66 112.00 2dic s GLN 10 Ca 0.34 -0.03 0.20 0.00 0.01 0.00 0.00 55.36 55.88 2dic s GLN 10 Cb 0.02 -1.02 0.83 0.00 -1.01 0.00 0.00 33.01 31.82 2dic s GLN 10 CO 0.20 -0.84 1.60 -0.35 0.01 0.00 0.00 175.29 175.91 2dic n PRO 11 N 5.31 0.11 0.11 2.91 -0.04 -1.26 -2.66 135.00 139.49 2dic n PRO 11 Ca -0.04 0.36 -0.18 0.00 -0.04 0.00 0.00 63.50 63.59 2dic n PRO 11 Cb 0.47 -1.72 -0.14 0.00 -0.04 0.00 0.00 33.50 32.07 2dic n PRO 11 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2dic h SER 12 N 0.00 0.53 0.44 3.54 0.02 -1.94 -3.22 113.55 112.92 2dic h SER 12 Ca 0.00 -0.57 -0.00 0.00 -0.84 0.00 0.00 61.79 60.38 2dic h SER 12 Cb 0.31 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.68 2dic h SER 12 CO 0.00 1.44 -0.00 0.03 -1.14 0.00 0.00 176.83 177.16 2dic h ARG 13 N 0.10 0.00 -7.04 3.45 2.47 -1.78 -3.44 114.38 108.14 2dic h ARG 13 Ca -0.16 0.00 -0.51 0.00 -1.26 0.00 0.00 59.98 58.04 2dic h ARG 13 Cb 2.01 0.00 0.08 0.00 -1.65 0.00 0.00 29.97 30.42 2dic h ARG 13 CO 0.22 0.00 0.49 0.08 0.56 0.00 0.00 179.97 181.32 2dic s VAL 14 N -3.94 2.91 0.08 2.04 1.01 -1.22 -4.72 120.40 116.55 2dic s VAL 14 Ca -0.02 0.64 0.03 0.00 0.00 0.00 0.00 61.98 62.63 2dic s VAL 14 Cb 0.11 -3.30 -0.03 0.00 0.00 0.00 0.00 36.38 33.16 2dic s VAL 14 CO 0.47 -0.05 -0.10 0.00 0.00 0.00 0.00 175.10 175.42 2dic s GLN 15 N -2.95 0.75 -0.16 2.72 -2.07 -1.14 -4.79 119.66 112.02 2dic s GLN 15 Ca 0.69 -1.02 -0.06 0.00 -1.82 0.00 0.00 55.36 53.15 2dic s GLN 15 Cb -0.29 -0.49 0.07 0.00 -1.09 0.00 0.00 33.01 31.21 2dic s GLN 15 CO 0.34 0.08 0.33 0.00 -1.32 0.00 0.00 175.29 174.73 2dic s ALA 16 N -2.00 -0.81 0.20 2.60 0.00 -1.26 -3.00 121.76 117.49 2dic s ALA 16 Ca -0.00 1.18 -0.11 0.00 0.00 0.00 0.00 51.96 53.03 2dic s ALA 16 Cb -0.06 -1.13 -0.01 0.00 0.00 0.00 0.00 23.12 21.93 2dic s ALA 16 CO 0.00 -0.67 0.38 1.14 0.00 0.00 0.00 175.76 176.61 2dic s GLN 17 N 2.44 1.35 0.00 0.00 -2.07 -0.68 -5.01 119.66 115.69 2dic s GLN 17 Ca -0.01 -1.21 0.00 0.00 -1.82 0.00 0.00 55.36 52.33 2dic s GLN 17 Cb -0.12 0.42 0.00 0.00 -1.09 0.00 0.00 33.01 32.23 2dic s GLN 17 CO -0.10 -0.53 0.00 0.41 -1.32 0.00 0.00 175.29 173.75 2dic n GLY 18 N -0.30 0.88 0.11 2.60 0.00 -1.26 0.68 105.19 107.89 2dic n GLY 18 Ca -0.05 -2.03 -0.13 0.00 0.00 0.00 0.00 46.02 43.81 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 7.62 0.24 0.00 1.61 0.13 -1.89 -2.33 132.00 137.38 2dic h PRO 19 Ca 0.00 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 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 0.66 0.20 0.41 -0.23 0.00 0.00 178.00 179.04 2dic n GLY 20 N 0.21 -0.61 0.10 1.56 0.00 0.25 -0.49 105.19 106.20 2dic n GLY 20 Ca -0.07 0.11 -0.12 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.94 1.39 0.01 0.99 4.77 -1.14 -4.64 117.00 116.45 2dic n LEU 21 Ca -0.01 -0.06 -0.10 0.00 -0.03 0.00 0.00 56.01 55.82 2dic n LEU 21 Cb 0.22 -0.14 -0.07 0.00 -2.33 0.00 0.00 43.42 41.10 2dic n LEU 21 CO 0.05 0.64 0.33 0.50 -1.33 0.00 0.00 177.39 177.58 2dic h LYS 22 N 0.00 -0.14 -2.23 3.23 3.64 -0.41 -3.42 116.57 117.24 2dic h LYS 22 Ca -0.48 0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 58.83 2dic h LYS 22 Cb 1.93 0.03 -0.20 0.00 -0.41 0.00 0.00 32.23 33.59 2dic h LYS 22 CO -0.02 0.33 0.08 -1.83 -2.27 0.00 0.00 179.45 175.74 2dic s GLU 23 N -2.87 0.93 0.33 1.90 -1.05 0.36 -4.54 118.70 113.75 2dic s GLU 23 Ca -0.12 0.28 0.07 0.00 -0.15 0.00 0.00 54.97 55.05 2dic s GLU 23 Cb -0.00 0.44 -0.03 0.00 -0.44 0.00 0.00 34.13 34.09 2dic s GLU 23 CO 0.44 -0.26 0.28 0.00 0.95 0.00 0.00 175.26 176.66 2dic s ALA 24 N -0.96 1.84 0.27 -0.84 0.00 -1.22 -4.16 121.76 116.70 2dic s ALA 24 Ca -0.10 -2.07 0.02 0.00 0.00 0.00 0.00 51.96 49.82 2dic s ALA 24 Cb -0.02 1.48 -0.04 0.00 0.00 0.00 0.00 23.12 24.54 2dic s ALA 24 CO 0.07 -0.66 0.15 -0.06 0.00 0.00 0.00 175.76 175.26 2dic s PHE 25 N -3.46 1.48 -0.01 0.00 0.40 -1.26 -2.46 117.98 112.67 2dic s PHE 25 Ca 0.41 -1.38 -0.28 0.00 -0.60 0.00 0.00 56.93 55.08 2dic s PHE 25 Cb 0.02 -0.76 -0.03 0.00 0.51 0.00 0.00 43.02 42.76 2dic s PHE 25 CO 0.27 -0.56 0.91 0.95 0.70 0.00 0.00 175.22 177.49 2dic s THR 26 N -3.77 4.89 -1.63 0.64 -4.23 0.18 -3.58 115.64 108.14 2dic s THR 26 Ca 0.38 1.91 -0.03 0.00 -1.18 0.00 0.00 61.69 62.76 2dic s THR 26 Cb 0.06 -4.25 0.01 0.00 1.34 0.00 0.00 72.50 69.65 2dic s THR 26 CO 0.16 0.20 0.38 0.59 -0.54 0.00 0.00 174.62 175.41 2dic n ASN 27 N 3.78 -5.97 -4.27 3.99 3.02 0.37 -4.66 115.26 111.53 2dic n ASN 27 Ca 0.04 -0.18 -0.27 0.00 -0.03 0.00 0.00 54.58 54.14 2dic n ASN 27 Cb 0.51 -4.88 -0.14 0.00 -0.61 0.00 0.00 39.78 34.66 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 -5.47 1.50 -0.35 3.52 1.02 -1.23 -4.99 119.74 113.74 2dic s LYS 28 Ca 0.19 -0.96 -0.28 0.00 0.02 0.00 0.00 55.97 54.94 2dic s LYS 28 Cb -0.09 -1.61 -0.01 0.00 -0.52 0.00 0.00 37.83 35.60 2dic s LYS 28 CO 0.24 0.42 1.70 -1.25 -0.92 0.00 0.00 175.35 175.54 2dic s PRO 29 N -1.13 3.40 -0.24 -1.68 0.04 -1.26 -4.42 135.00 129.71 2dic s PRO 29 Ca 0.08 1.31 0.02 0.00 0.04 0.00 0.00 61.00 62.45 2dic s PRO 29 Cb -0.09 -4.15 0.05 0.00 0.04 0.00 0.00 34.50 30.34 2dic s PRO 29 CO 0.02 -1.78 -0.12 -0.80 0.04 0.00 0.00 177.00 174.35 2dic s ASN 30 N 5.54 4.13 0.42 6.66 0.01 -0.84 -4.99 114.94 125.87 2dic s ASN 30 Ca 0.75 -1.15 0.06 0.00 -0.71 0.00 0.00 52.86 51.81 2dic s ASN 30 Cb -0.20 -1.55 -0.07 0.00 0.41 0.00 0.00 41.25 39.83 2dic s ASN 30 CO 0.33 -0.14 0.01 0.68 -1.51 0.00 0.00 177.10 176.47 2dic s VAL 31 N 1.18 1.85 0.08 1.60 -7.23 -1.26 -1.51 120.40 115.12 2dic s VAL 31 Ca -0.04 -2.00 -0.18 0.00 -1.81 0.00 0.00 61.98 57.95 2dic s VAL 31 Cb -0.18 -2.86 0.04 0.00 0.56 0.00 0.00 36.38 33.93 2dic s VAL 31 CO -0.07 0.00 0.42 0.72 -0.31 0.00 0.00 175.10 175.86 2dic s PHE 32 N -2.75 -0.25 -0.09 2.82 -0.71 -1.15 -0.59 117.98 115.26 2dic s PHE 32 Ca 0.30 0.11 -0.19 0.00 -1.04 0.00 0.00 56.93 56.11 2dic s PHE 32 Cb 0.09 0.25 -0.04 0.00 -1.21 0.00 0.00 43.02 42.10 2dic s PHE 32 CO 0.16 -0.63 0.53 0.99 -1.34 0.00 0.00 175.22 174.93 2dic s THR 33 N -3.03 5.13 -0.27 -4.49 2.01 0.21 -3.95 115.64 111.25 2dic s THR 33 Ca -0.02 1.08 0.01 0.00 0.31 0.00 0.00 61.69 63.08 2dic s THR 33 Cb 0.00 -3.87 0.08 0.00 0.01 0.00 0.00 72.50 68.72 2dic s THR 33 CO -0.06 0.33 0.00 -0.69 -0.69 0.00 0.00 174.62 173.51 2dic s VAL 34 N 0.52 1.53 -0.42 3.82 1.01 -1.02 -1.69 120.40 124.15 2dic s VAL 34 Ca 0.29 -1.49 -0.18 0.00 0.00 0.00 0.00 61.98 60.60 2dic s VAL 34 Cb -0.16 -1.95 0.02 0.00 0.00 0.00 0.00 36.38 34.29 2dic s VAL 34 CO 0.13 -0.34 0.46 -0.69 0.00 0.00 0.00 175.10 174.66 2dic s VAL 35 N 1.34 5.06 -0.45 2.92 1.01 -1.16 -0.48 120.40 128.65 2dic s VAL 35 Ca 0.01 -0.30 0.08 0.00 0.00 0.00 0.00 61.98 61.77 2dic s VAL 35 Cb -0.19 -4.05 0.40 0.00 0.00 0.00 0.00 36.38 32.54 2dic s VAL 35 CO -0.11 -0.44 1.02 0.35 0.00 0.00 0.00 175.10 175.92 2dic n THR 36 N 5.48 2.13 -0.01 3.92 -2.24 -1.26 -2.89 114.28 119.40 2dic n THR 36 Ca -0.07 -4.76 -0.07 0.00 -2.27 0.00 0.00 64.05 56.88 2dic n THR 36 Cb 0.47 -0.91 -0.13 0.00 -2.10 0.00 0.00 70.33 67.67 2dic n THR 36 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 2dic h ARG 37 N 2.78 0.00 -0.57 -0.78 -0.00 -1.92 -3.37 114.38 110.53 2dic h ARG 37 Ca 0.18 0.00 -0.32 0.00 -0.00 0.00 0.00 59.98 59.84 2dic h ARG 37 Cb 0.86 0.00 -0.19 0.00 -0.00 0.00 0.00 29.97 30.64 2dic h ARG 37 CO 0.76 0.49 0.08 0.41 -0.00 0.00 0.00 179.97 181.71 2dic n GLY 38 N 1.52 5.02 0.23 0.08 0.00 -1.26 -4.66 105.19 106.12 2dic n GLY 38 Ca -0.15 -1.40 -0.06 0.00 0.00 0.00 0.00 46.02 44.42 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 -1.09 1.06 0.00 4.61 0.00 -1.26 -4.67 120.51 119.17 2dic n ALA 39 Ca 0.42 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2dic n ALA 39 Cb 1.13 0.05 0.00 0.00 0.00 0.00 0.00 19.45 20.64 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 1.81 0.06 3.29 0.00 0.00 -1.26 -1.75 105.19 107.34 2dic n GLY 40 Ca -0.09 -1.31 -0.35 0.00 0.00 0.00 0.00 46.02 44.27 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 -3.34 3.32 -0.02 -0.61 1.09 -1.26 -5.00 121.20 115.38 2dic s ILE 41 Ca 0.00 -0.59 -0.11 0.00 -1.10 0.00 0.00 60.65 58.85 2dic s ILE 41 Cb 0.00 -2.55 0.04 0.00 -1.06 0.00 0.00 42.46 38.88 2dic s ILE 41 CO 0.00 0.37 0.49 0.61 -0.10 0.00 0.00 174.94 176.31 2dic n GLY 42 N 4.78 0.38 3.51 6.18 0.00 -1.26 -4.86 105.19 113.92 2dic n GLY 42 Ca -0.18 -0.90 -0.35 0.00 0.00 0.00 0.00 46.02 44.59 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 -3.24 1.79 0.05 -0.02 0.00 -1.26 -4.81 107.32 99.83 2dic s GLY 43 Ca 0.12 -0.96 -0.25 0.00 0.00 0.00 0.00 44.72 43.63 2dic s GLY 43 CO -0.01 0.27 0.75 -2.27 0.00 0.00 0.00 173.10 171.85 2dic s LEU 44 N 1.00 4.45 -0.34 0.66 2.96 -1.26 0.12 118.68 126.27 2dic s LEU 44 Ca 0.03 1.44 0.03 0.00 -0.22 0.00 0.00 54.13 55.41 2dic s LEU 44 Cb -0.14 -3.21 0.10 0.00 0.50 0.00 0.00 46.19 43.44 2dic s LEU 44 CO 0.03 0.03 0.07 -0.83 -1.32 0.00 0.00 176.35 174.33 2dic s GLY 45 N -0.12 1.78 -0.34 7.98 0.00 0.18 -4.96 107.32 111.84 2dic s GLY 45 Ca 0.38 -2.40 -0.11 0.00 0.00 0.00 0.00 44.72 42.59 2dic s GLY 45 CO 0.23 1.09 0.19 -0.42 0.00 0.00 0.00 173.10 174.19 2dic s ILE 46 N 0.98 4.77 0.21 0.90 1.01 -1.25 -2.40 121.20 125.40 2dic s ILE 46 Ca 0.11 -0.51 0.09 0.00 0.00 0.00 0.00 60.65 60.34 2dic s ILE 46 Cb -0.19 -3.51 -0.05 0.00 0.01 0.00 0.00 42.46 38.72 2dic s ILE 46 CO -0.11 -0.05 -0.17 0.42 0.00 0.00 0.00 174.94 175.03 2dic s THR 47 N 1.62 1.93 -0.03 2.92 -4.23 0.05 -4.97 115.64 112.94 2dic s THR 47 Ca 0.04 -2.15 0.04 0.00 -1.18 0.00 0.00 61.69 58.44 2dic s THR 47 Cb -0.18 -2.03 -0.00 0.00 1.34 0.00 0.00 72.50 71.63 2dic s THR 47 CO 0.07 -0.45 -0.14 -0.69 -0.54 0.00 0.00 174.62 172.88 2dic s VAL 48 N -2.54 1.14 0.20 2.29 1.01 -1.26 0.28 120.40 121.53 2dic s VAL 48 Ca 0.22 -0.57 0.09 0.00 0.00 0.00 0.00 61.98 61.72 2dic s VAL 48 Cb -0.03 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.32 2dic s VAL 48 CO 0.08 0.34 -0.19 -1.61 0.00 0.00 0.00 175.10 173.72 2dic s GLU 49 N -0.00 1.41 0.00 2.72 0.41 -1.11 -4.66 118.70 117.46 2dic s GLU 49 Ca -0.01 -1.54 0.00 0.00 -0.41 0.00 0.00 54.97 53.01 2dic s GLU 49 Cb -0.09 -1.45 0.00 0.00 -1.78 0.00 0.00 34.13 30.81 2dic s GLU 49 CO 0.01 0.28 0.00 0.41 -0.49 0.00 0.00 175.26 175.47 2dic n GLY 50 N -0.04 -0.89 0.00 -1.39 0.00 -1.26 -2.32 105.19 99.29 2dic n GLY 50 Ca -0.10 -0.99 0.08 0.00 0.00 0.00 0.00 46.02 45.01 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 0.46 -3.52 1.61 -0.04 -1.26 -4.73 135.00 127.52 2dic n PRO 51 Ca 0.00 0.01 -0.15 0.00 -0.04 0.00 0.00 63.50 63.32 2dic n PRO 51 Cb 0.00 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 31.91 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 -2.05 -0.57 0.11 3.54 1.04 -1.26 -4.94 113.70 109.57 2dic s SER 52 Ca 0.22 0.53 -0.30 0.00 0.48 0.00 0.00 55.95 56.88 2dic s SER 52 Cb 0.11 0.48 -0.07 0.00 0.10 0.00 0.00 66.02 66.64 2dic s SER 52 CO 0.18 -0.59 1.19 -0.70 0.98 0.00 0.00 173.24 174.30 2dic s GLU 53 N -1.57 4.47 -0.07 4.02 2.12 -1.26 -4.77 118.70 121.64 2dic s GLU 53 Ca -0.07 1.80 -0.02 0.00 0.36 0.00 0.00 54.97 57.04 2dic s GLU 53 Cb -0.00 -3.30 -0.04 0.00 0.26 0.00 0.00 34.13 31.05 2dic s GLU 53 CO 0.04 -0.17 0.04 -1.12 -0.54 0.00 0.00 175.26 173.52 2dic s SER 54 N 0.63 5.52 -0.82 -1.70 0.01 -1.26 -4.29 113.70 111.79 2dic s SER 54 Ca 0.56 0.19 -0.26 0.00 1.31 0.00 0.00 55.95 57.75 2dic s SER 54 Cb -0.31 -1.60 0.03 0.00 0.21 0.00 0.00 66.02 64.36 2dic s SER 54 CO 0.32 0.35 1.34 -0.54 0.41 0.00 0.00 173.24 175.13 2dic s LYS 55 N -1.15 3.30 0.23 12.44 1.02 -0.83 -4.78 119.74 129.97 2dic s LYS 55 Ca 0.16 -0.49 -0.14 0.00 0.02 0.00 0.00 55.97 55.52 2dic s LYS 55 Cb -0.12 -4.54 -0.08 0.00 -0.52 0.00 0.00 37.83 32.58 2dic s LYS 55 CO 0.06 -2.18 0.63 0.42 -0.92 0.00 0.00 175.35 173.35 2dic s ILE 56 N 5.58 4.78 -0.22 2.17 1.01 -1.26 -2.43 121.20 130.83 2dic s ILE 56 Ca 0.39 0.83 -0.04 0.00 0.00 0.00 0.00 60.65 61.83 2dic s ILE 56 Cb -0.06 -3.68 0.11 0.00 0.01 0.00 0.00 42.46 38.84 2dic s ILE 56 CO 0.08 0.02 0.36 0.20 0.00 0.00 0.00 174.94 175.60 2dic s ASN 57 N -2.05 0.23 0.03 3.58 0.01 0.18 -4.97 114.94 111.94 2dic s ASN 57 Ca 0.46 0.40 -0.09 0.00 -0.71 0.00 0.00 52.86 52.91 2dic s ASN 57 Cb -0.13 1.07 -0.05 0.00 0.41 0.00 0.00 41.25 42.55 2dic s ASN 57 CO 0.20 -0.28 0.34 0.00 -1.51 0.00 0.00 177.10 175.85 2dic s ARG 59 N -1.65 1.93 -0.27 0.00 3.52 -0.37 -5.02 118.95 117.10 2dic s ARG 59 Ca 0.28 -1.56 -0.07 0.00 -0.13 0.00 0.00 55.73 54.25 2dic s ARG 59 Cb -0.14 -1.96 -0.01 0.00 -1.56 0.00 0.00 34.95 31.28 2dic s ARG 59 CO 0.16 0.36 0.07 0.34 -0.81 0.00 0.00 175.30 175.42 2dic s ASP 60 N -3.42 5.10 -0.25 -2.12 -1.08 -1.26 -3.79 116.67 109.85 2dic s ASP 60 Ca 0.29 -0.49 -0.08 0.00 -0.52 0.00 0.00 52.55 51.75 2dic s ASP 60 Cb -0.06 -1.90 -0.03 0.00 -1.46 0.00 0.00 42.92 39.47 2dic s ASP 60 CO 0.16 -0.12 0.08 0.20 0.52 0.00 0.00 175.17 176.01 2dic s ASN 61 N 1.55 5.28 -0.17 -0.34 0.01 -1.26 -4.97 114.94 115.04 2dic s ASN 61 Ca 0.04 -0.16 0.00 0.00 -0.71 0.00 0.00 52.86 52.04 2dic s ASN 61 Cb -0.16 -1.95 0.18 0.00 0.41 0.00 0.00 41.25 39.72 2dic s ASN 61 CO 0.03 -0.02 1.63 1.17 -1.51 0.00 0.00 177.10 178.40 2dic n LYS 62 N 4.82 1.46 0.01 -0.60 4.81 -1.26 -4.02 118.16 123.37 2dic n LYS 62 Ca -0.16 -0.98 -0.03 0.00 -0.87 0.00 0.00 58.31 56.27 2dic n LYS 62 Cb 0.52 -1.39 -0.01 0.00 0.02 0.00 0.00 35.03 34.17 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 0.34 1.08 0.00 3.14 -0.08 -1.26 -5.06 116.55 114.71 2dic n ASP 63 Ca 0.19 0.15 0.00 0.00 -1.51 0.00 0.00 54.79 53.63 2dic n ASP 63 Cb 0.72 -0.36 0.00 0.00 2.34 0.00 0.00 41.12 43.81 2dic n ASP 63 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2dic n GLY 64 N 2.95 0.00 3.89 0.27 0.00 -1.26 -5.17 105.19 105.87 2dic n GLY 64 Ca -0.05 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -4.48 113.70 110.58 2dic s SER 65 Ca 0.00 -0.43 0.03 0.00 0.48 0.00 0.00 55.95 56.03 2dic s SER 65 Cb 0.00 0.33 -0.01 0.00 0.10 0.00 0.00 66.02 66.45 2dic s SER 65 CO 0.00 -0.65 -0.11 0.00 0.98 0.00 0.00 173.24 173.46 2dic s SER 67 N -0.12 4.31 -0.06 0.00 0.01 -1.25 -2.44 113.70 114.14 2dic s SER 67 Ca 0.02 -0.18 -0.00 0.00 1.31 0.00 0.00 55.95 57.10 2dic s SER 67 Cb -0.06 -1.32 0.02 0.00 0.21 0.00 0.00 66.02 64.88 2dic s SER 67 CO -0.00 0.27 -0.02 0.00 0.41 0.00 0.00 173.24 173.89 2dic s ALA 68 N -0.24 0.72 -0.02 1.44 0.00 -1.25 -1.23 121.76 121.17 2dic s ALA 68 Ca 0.02 -0.11 0.07 0.00 0.00 0.00 0.00 51.96 51.94 2dic s ALA 68 Cb -0.13 -0.60 -0.02 0.00 0.00 0.00 0.00 23.12 22.37 2dic s ALA 68 CO 0.03 -0.25 -0.24 -1.83 0.00 0.00 0.00 175.76 173.47 2dic s GLU 69 N 1.47 1.92 0.03 0.00 -1.05 -0.51 -2.96 118.70 117.61 2dic s GLU 69 Ca -0.02 -0.86 -0.00 0.00 -0.15 0.00 0.00 54.97 53.93 2dic s GLU 69 Cb -0.13 -1.87 -0.03 0.00 -0.44 0.00 0.00 34.13 31.66 2dic s GLU 69 CO -0.03 0.51 -0.03 1.52 0.95 0.00 0.00 175.26 178.18 2dic s TYR 70 N -0.57 0.37 -0.24 4.83 1.13 -0.57 0.48 117.35 122.79 2dic s TYR 70 Ca 0.09 -0.74 -0.04 0.00 -1.41 0.00 0.00 57.07 54.98 2dic s TYR 70 Cb -0.09 -0.27 0.09 0.00 -1.10 0.00 0.00 41.96 40.59 2dic s TYR 70 CO -0.01 -0.26 0.16 0.42 -2.51 0.00 0.00 175.55 173.36 2dic s ILE 71 N -2.41 -0.18 0.96 -3.49 1.01 -1.02 -1.98 121.20 114.09 2dic s ILE 71 Ca -0.07 -0.41 -0.12 0.00 0.00 0.00 0.00 60.65 60.05 2dic s ILE 71 Cb -0.03 -0.80 0.17 0.00 0.01 0.00 0.00 42.46 41.81 2dic s ILE 71 CO -0.04 -0.45 1.09 -2.16 0.00 0.00 0.00 174.94 173.38 2dic s PRO 72 N 2.20 0.70 -0.00 2.79 0.04 -1.26 -1.96 135.00 137.51 2dic s PRO 72 Ca 0.07 0.62 0.01 0.00 0.04 0.00 0.00 61.00 61.74 2dic s PRO 72 Cb -0.16 -1.76 -0.01 0.00 0.04 0.00 0.00 34.50 32.61 2dic s PRO 72 CO -0.23 -2.57 0.02 1.19 0.04 0.00 0.00 177.00 175.45 2dic n PHE 73 N -4.08 0.00 -3.89 0.56 3.01 -1.26 -0.47 117.46 111.33 2dic n PHE 73 Ca 0.06 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.41 2dic n PHE 73 Cb 0.56 -0.01 -0.13 0.00 -0.01 0.00 0.00 39.48 39.90 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 -1.71 -0.08 0.51 4.37 0.00 -1.26 -4.77 121.76 118.82 2dic s ALA 74 Ca -0.00 -0.06 -0.21 0.00 0.00 0.00 0.00 51.96 51.69 2dic s ALA 74 Cb 0.01 -0.01 -0.06 0.00 0.00 0.00 0.00 23.12 23.06 2dic s ALA 74 CO 0.03 -0.08 1.14 -1.25 0.00 0.00 0.00 175.76 175.61 2dic s PRO 75 N -0.48 3.52 0.00 0.00 0.04 -1.26 -4.79 135.00 132.03 2dic s PRO 75 Ca -0.05 1.68 0.00 0.00 0.04 0.00 0.00 61.00 62.66 2dic s PRO 75 Cb -0.03 -2.17 0.00 0.00 0.04 0.00 0.00 34.50 32.34 2dic s PRO 75 CO -0.00 -0.73 0.00 0.41 0.04 0.00 0.00 177.00 176.72 2dic n GLY 76 N 0.27 -0.92 3.60 0.56 0.00 -0.66 -4.87 105.19 103.18 2dic n GLY 76 Ca 0.10 -1.50 -0.42 0.00 0.00 0.00 0.00 46.02 44.20 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 -2.52 6.57 0.21 1.61 -4.77 -1.26 -1.87 116.67 114.65 2dic s ASP 77 Ca 0.00 0.51 0.07 0.00 -3.30 0.00 0.00 52.55 49.83 2dic s ASP 77 Cb 0.00 -2.37 -0.04 0.00 -1.09 0.00 0.00 42.92 39.42 2dic s ASP 77 CO 0.00 -0.57 0.08 -0.31 0.70 0.00 0.00 175.17 175.07 2dic s TYR 78 N 2.81 2.95 -0.22 2.11 1.51 -1.18 -4.65 117.35 120.68 2dic s TYR 78 Ca 0.29 -0.12 -0.01 0.00 -1.01 0.00 0.00 57.07 56.22 2dic s TYR 78 Cb -0.14 -1.37 0.06 0.00 -0.11 0.00 0.00 41.96 40.40 2dic s TYR 78 CO 0.13 0.54 -0.02 -0.51 -1.11 0.00 0.00 175.55 174.58 2dic s ASP 79 N -3.37 3.52 -0.49 2.29 1.11 -0.98 -2.43 116.67 116.32 2dic s ASP 79 Ca 0.30 -1.05 -0.28 0.00 0.18 0.00 0.00 52.55 51.70 2dic s ASP 79 Cb -0.08 -0.98 0.03 0.00 1.07 0.00 0.00 42.92 42.96 2dic s ASP 79 CO 0.22 -0.26 1.10 -0.69 1.18 0.00 0.00 175.17 176.71 2dic s VAL 80 N 1.56 4.24 -0.37 -1.27 1.01 -1.14 -2.77 120.40 121.65 2dic s VAL 80 Ca -0.04 1.06 -0.22 0.00 0.00 0.00 0.00 61.98 62.78 2dic s VAL 80 Cb -0.18 -4.59 0.01 0.00 0.00 0.00 0.00 36.38 31.62 2dic s VAL 80 CO -0.07 -1.02 0.70 0.20 0.00 0.00 0.00 175.10 174.91 2dic s ASN 81 N 2.49 6.46 -0.20 3.32 0.01 0.14 -2.07 114.94 125.10 2dic s ASN 81 Ca 0.45 0.15 0.00 0.00 -0.71 0.00 0.00 52.86 52.75 2dic s ASN 81 Cb -0.08 -2.35 0.02 0.00 0.41 0.00 0.00 41.25 39.25 2dic s ASN 81 CO 0.30 -0.69 -0.16 -0.63 -1.51 0.00 0.00 177.10 174.41 2dic s ILE 82 N 2.90 2.34 0.03 0.60 1.01 -1.26 -0.77 121.20 126.05 2dic s ILE 82 Ca 0.27 -0.93 0.04 0.00 0.00 0.00 0.00 60.65 60.03 2dic s ILE 82 Cb -0.14 -2.04 -0.02 0.00 0.01 0.00 0.00 42.46 40.27 2dic s ILE 82 CO 0.17 0.45 -0.12 0.42 0.00 0.00 0.00 174.94 175.85 2dic s THR 83 N 1.31 0.96 -0.37 2.92 -4.23 -1.01 -1.95 115.64 113.28 2dic s THR 83 Ca 0.04 -0.91 -0.05 0.00 -1.18 0.00 0.00 61.69 59.58 2dic s THR 83 Cb -0.14 -0.88 0.07 0.00 1.34 0.00 0.00 72.50 72.88 2dic s THR 83 CO -0.10 -0.02 0.14 -0.47 -0.54 0.00 0.00 174.62 173.63 2dic s TYR 84 N -0.82 3.35 0.00 3.99 5.04 0.15 -0.64 117.35 128.41 2dic s TYR 84 Ca 0.00 -1.75 0.00 0.00 -2.44 0.00 0.00 57.07 52.89 2dic s TYR 84 Cb -0.07 -2.61 0.00 0.00 0.35 0.00 0.00 41.96 39.62 2dic s TYR 84 CO 0.01 -0.82 0.00 0.41 -1.34 0.00 0.00 175.55 173.80 2dic n GLY 85 N 4.76 1.94 0.56 8.97 0.00 0.12 -2.99 105.19 118.55 2dic n GLY 85 Ca -0.10 -0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.91 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 0.91 3.21 -0.02 0.00 -1.26 -4.76 105.19 103.27 2dic n GLY 86 Ca 0.00 -0.01 -0.12 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 1.20 -0.17 4.61 0.00 -1.16 -5.15 121.76 121.09 2dic s ALA 87 Ca 0.00 -1.48 -0.11 0.00 0.00 0.00 0.00 51.96 50.37 2dic s ALA 87 Cb 0.00 0.36 -0.05 0.00 0.00 0.00 0.00 23.12 23.44 2dic s ALA 87 CO -0.00 -0.27 0.19 -1.01 0.00 0.00 0.00 175.76 174.67 2dic s HIS 88 N -3.63 3.46 0.56 0.00 0.09 -1.26 -0.67 115.29 113.84 2dic s HIS 88 Ca 0.19 0.46 -0.18 0.00 -0.00 0.00 0.00 55.06 55.52 2dic s HIS 88 Cb 0.05 -2.20 -0.05 0.00 -0.00 0.00 0.00 32.58 30.39 2dic s HIS 88 CO 0.00 0.34 1.10 0.96 -0.00 0.00 0.00 174.74 177.14 2dic s ILE 89 N 0.18 3.37 -0.92 0.60 -4.36 -0.82 -4.84 121.20 114.41 2dic s ILE 89 Ca 0.12 0.79 -0.24 0.00 -0.26 0.00 0.00 60.65 61.06 2dic s ILE 89 Cb -0.12 -3.30 -0.05 0.00 1.25 0.00 0.00 42.46 40.24 2dic s ILE 89 CO 0.01 -0.24 1.94 -2.16 0.24 0.00 0.00 174.94 174.73 2dic s PRO 90 N -3.50 2.56 0.00 0.37 0.04 -1.26 -2.66 135.00 130.55 2dic s PRO 90 Ca 0.70 -0.34 0.00 0.00 0.04 0.00 0.00 61.00 61.40 2dic s PRO 90 Cb -0.21 -5.07 0.00 0.00 0.04 0.00 0.00 34.50 29.26 2dic s PRO 90 CO 0.29 -3.40 0.00 0.41 0.04 0.00 0.00 177.00 174.34 2dic n GLY 91 N 6.80 0.22 3.85 0.56 0.00 -1.26 -5.01 105.19 110.36 2dic n GLY 91 Ca 0.40 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 5.87 0.44 1.61 0.15 -1.09 -3.66 113.70 117.02 2dic s SER 92 Ca 0.00 0.03 -0.24 0.00 0.70 0.00 0.00 55.95 56.45 2dic s SER 92 Cb 0.00 -1.65 -0.08 0.00 -1.71 0.00 0.00 66.02 62.58 2dic s SER 92 CO 0.00 0.10 1.17 -2.16 1.20 0.00 0.00 173.24 173.55 2dic s PRO 93 N -2.92 3.83 -0.47 5.44 0.04 -1.26 -4.89 135.00 134.78 2dic s PRO 93 Ca 0.32 1.80 -0.18 0.00 0.04 0.00 0.00 61.00 62.98 2dic s PRO 93 Cb -0.11 -2.48 0.05 0.00 0.04 0.00 0.00 34.50 32.00 2dic s PRO 93 CO 0.25 -0.50 0.52 -0.06 0.04 0.00 0.00 177.00 177.25 2dic s PHE 94 N -1.51 3.13 0.22 0.56 0.40 -0.88 -4.78 117.98 115.12 2dic s PHE 94 Ca 0.62 -0.57 -0.31 0.00 -0.60 0.00 0.00 56.93 56.06 2dic s PHE 94 Cb -0.29 -3.26 -0.11 0.00 0.51 0.00 0.00 43.02 39.87 2dic s PHE 94 CO 0.36 -0.88 1.57 0.50 0.70 0.00 0.00 175.22 177.47 2dic s ARG 95 N 2.25 4.19 -0.06 0.44 6.06 -1.26 -2.89 118.95 127.69 2dic s ARG 95 Ca 0.12 2.43 -0.02 0.00 -2.50 0.00 0.00 55.73 55.75 2dic s ARG 95 Cb -0.20 -3.10 0.03 0.00 0.06 0.00 0.00 34.95 31.74 2dic s ARG 95 CO 0.11 -0.59 0.06 0.08 -2.50 0.00 0.00 175.30 172.46 2dic s VAL 96 N 0.66 -0.06 -0.55 7.11 1.01 -1.02 -4.85 120.40 122.71 2dic s VAL 96 Ca 0.67 0.30 -0.27 0.00 0.00 0.00 0.00 61.98 62.68 2dic s VAL 96 Cb -0.45 -0.26 -0.02 0.00 0.00 0.00 0.00 36.38 35.65 2dic s VAL 96 CO 0.37 0.11 1.82 -2.16 0.00 0.00 0.00 175.10 175.24 2dic s PRO 97 N 2.15 2.81 -0.46 2.72 0.04 -1.26 -3.13 135.00 137.87 2dic s PRO 97 Ca 0.04 0.78 -0.24 0.00 0.04 0.00 0.00 61.00 61.62 2dic s PRO 97 Cb -0.13 -4.33 0.03 0.00 0.04 0.00 0.00 34.50 30.11 2dic s PRO 97 CO -0.04 -2.50 0.86 0.08 0.04 0.00 0.00 177.00 175.44 2dic s VAL 98 N 8.45 4.55 0.37 -0.36 1.01 -0.78 -3.37 120.40 130.26 2dic s VAL 98 Ca 0.69 0.57 0.07 0.00 0.00 0.00 0.00 61.98 63.32 2dic s VAL 98 Cb -0.14 -4.39 -0.01 0.00 0.00 0.00 0.00 36.38 31.83 2dic s VAL 98 CO 0.24 -0.80 0.41 -0.54 0.00 0.00 0.00 175.10 174.41 2dic s LYS 99 N 3.56 2.78 -0.17 2.72 1.02 -1.03 -1.65 119.74 126.97 2dic s LYS 99 Ca 0.33 -1.28 -0.07 0.00 0.02 0.00 0.00 55.97 54.97 2dic s LYS 99 Cb -0.11 -2.59 -0.04 0.00 -0.52 0.00 0.00 37.83 34.57 2dic s LYS 99 CO 0.24 -0.07 0.05 0.16 -0.92 0.00 0.00 175.35 174.82 2dic s ASP 100 N -4.15 5.52 0.07 2.83 1.47 -1.26 0.52 116.67 121.68 2dic s ASP 100 Ca 0.47 0.06 -0.22 0.00 1.18 0.00 0.00 52.55 54.04 2dic s ASP 100 Cb -0.07 -1.93 -0.13 0.00 -0.34 0.00 0.00 42.92 40.45 2dic s ASP 100 CO 0.29 0.19 1.62 0.58 0.68 0.00 0.00 175.17 178.53 2dic h VAL 101 N 4.86 1.13 -4.02 2.11 2.07 -1.97 -3.46 116.25 116.97 2dic h VAL 101 Ca -0.37 -0.39 -0.18 0.00 0.82 0.00 0.00 66.70 66.58 2dic h VAL 101 Cb 1.17 1.24 -0.17 0.00 -1.52 0.00 0.00 31.29 32.01 2dic h VAL 101 CO 0.69 0.11 -0.70 0.68 0.02 0.00 0.00 177.57 178.38 2dic s VAL 102 N -5.61 0.41 0.15 2.57 -7.23 -1.26 -5.17 120.40 104.26 2dic s VAL 102 Ca -0.14 -1.62 0.05 0.00 -1.81 0.00 0.00 61.98 58.46 2dic s VAL 102 Cb 0.06 -1.27 -0.04 0.00 0.56 0.00 0.00 36.38 35.69 2dic s VAL 102 CO 0.68 -0.80 0.14 1.51 -0.31 0.00 0.00 175.10 176.32 2dic s ASP 103 N -2.56 5.58 0.99 4.85 -4.77 -1.26 -5.12 116.67 114.38 2dic s ASP 103 Ca 0.03 -0.09 -0.12 0.00 -3.30 0.00 0.00 52.55 49.07 2dic s ASP 103 Cb 0.02 -1.48 0.18 0.00 -1.09 0.00 0.00 42.92 40.55 2dic s ASP 103 CO -0.06 0.08 1.09 -2.16 0.70 0.00 0.00 175.17 174.83 2dic s PRO 104 N -3.01 0.50 0.00 2.11 0.04 -1.26 -5.28 135.00 128.10 2dic s PRO 104 Ca 0.31 0.55 0.06 0.00 0.04 0.00 0.00 61.00 61.96 2dic s PRO 104 Cb -0.10 -1.74 0.39 0.00 0.04 0.00 0.00 34.50 33.08 2dic s PRO 104 CO 0.24 -2.69 0.85 0.43 0.04 0.00 0.00 177.00 175.86