#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 -3.08 -4.37 1.61 7.64 -1.26 -4.93 113.62 109.23 2dic n SER 2 Ca 0.00 -0.95 -0.38 0.00 1.01 0.00 0.00 58.87 58.55 2dic n SER 2 Cb 0.00 -3.11 -0.12 0.00 -1.01 0.00 0.00 64.21 59.97 2dic n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dic s SER 3 N -3.51 5.22 -0.86 6.43 0.01 -1.26 -5.05 113.70 114.68 2dic s SER 3 Ca 0.57 -0.65 -0.16 0.00 1.31 0.00 0.00 55.95 57.03 2dic s SER 3 Cb -0.31 -1.91 0.18 0.00 0.21 0.00 0.00 66.02 64.20 2dic s SER 3 CO 0.90 -0.19 0.90 -0.83 0.41 0.00 0.00 173.24 174.42 2dic s GLY 4 N 1.53 2.37 0.36 3.44 0.00 -1.26 -4.91 107.32 108.84 2dic s GLY 4 Ca 0.03 -3.08 -0.25 0.00 0.00 0.00 0.00 44.72 41.42 2dic s GLY 4 CO 0.03 1.54 0.99 -0.45 0.00 0.00 0.00 173.10 175.22 2dic s SER 5 N 2.75 7.08 -0.32 1.64 0.15 -1.26 -5.03 113.70 118.70 2dic s SER 5 Ca 0.23 1.92 -0.10 0.00 0.70 0.00 0.00 55.95 58.70 2dic s SER 5 Cb -0.09 -2.58 -0.00 0.00 -1.71 0.00 0.00 66.02 61.64 2dic s SER 5 CO -0.09 -0.26 0.17 -0.55 1.20 0.00 0.00 173.24 173.72 2dic s SER 6 N -1.60 5.66 0.00 5.45 0.15 -1.26 -4.61 113.70 117.48 2dic s SER 6 Ca 0.54 -0.57 0.00 0.00 0.70 0.00 0.00 55.95 56.62 2dic s SER 6 Cb -0.20 -2.03 0.00 0.00 -1.71 0.00 0.00 66.02 62.09 2dic s SER 6 CO 0.25 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 175.07 2dic n GLY 7 N 5.00 1.01 0.00 9.45 0.00 -1.26 -5.13 105.19 114.26 2dic n GLY 7 Ca -0.13 0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 4.20 3.59 -0.02 0.00 -1.26 -5.15 105.19 106.54 2dic n GLY 8 Ca 0.00 -0.82 -0.30 0.00 0.00 0.00 0.00 46.02 44.90 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 -5.22 2.27 0.00 0.00 -1.52 -0.24 -4.92 119.66 110.03 2dic s GLN 10 Ca 0.69 -2.47 0.15 0.00 -1.95 0.00 0.00 55.36 51.78 2dic s GLN 10 Cb -0.13 -3.55 0.89 0.00 -0.22 0.00 0.00 33.01 30.00 2dic s GLN 10 CO 0.57 -1.13 1.35 -0.35 -0.25 0.00 0.00 175.29 175.48 2dic n PRO 11 N 3.48 0.43 0.04 2.91 -0.04 -1.26 -2.14 135.00 138.41 2dic n PRO 11 Ca 0.06 0.03 0.05 0.00 -0.04 0.00 0.00 63.50 63.60 2dic n PRO 11 Cb 0.36 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.24 2dic n PRO 11 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2dic n SER 12 N -1.05 0.59 0.09 3.54 3.41 -1.26 -3.73 113.62 115.20 2dic n SER 12 Ca 0.11 0.24 0.13 0.00 -0.26 0.00 0.00 58.87 59.09 2dic n SER 12 Cb 0.07 0.74 0.43 0.00 -0.26 0.00 0.00 64.21 65.19 2dic n SER 12 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2dic n ARG 13 N -2.67 0.22 -2.44 4.33 5.12 -0.91 -4.84 116.66 115.47 2dic n ARG 13 Ca -0.07 0.17 -0.38 0.00 -1.93 0.00 0.00 57.85 55.64 2dic n ARG 13 Cb 0.71 -1.75 -0.03 0.00 -1.16 0.00 0.00 32.46 30.23 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 -3.08 3.47 0.03 1.55 1.01 -1.25 -4.74 120.40 117.39 2dic s VAL 14 Ca 0.11 1.22 0.05 0.00 0.00 0.00 0.00 61.98 63.37 2dic s VAL 14 Cb 0.13 -3.68 -0.02 0.00 0.00 0.00 0.00 36.38 32.82 2dic s VAL 14 CO 0.59 0.10 -0.16 0.00 0.00 0.00 0.00 175.10 175.63 2dic s GLN 15 N -2.24 1.08 -0.05 2.72 -2.07 -1.13 -4.80 119.66 113.17 2dic s GLN 15 Ca 0.55 -0.76 -0.02 0.00 -1.82 0.00 0.00 55.36 53.31 2dic s GLN 15 Cb -0.27 -1.10 0.03 0.00 -1.09 0.00 0.00 33.01 30.58 2dic s GLN 15 CO 0.34 0.28 0.06 0.00 -1.32 0.00 0.00 175.29 174.65 2dic s ALA 16 N -0.75 0.24 0.22 2.60 0.00 -1.26 -2.72 121.76 120.08 2dic s ALA 16 Ca 0.04 0.17 -0.07 0.00 0.00 0.00 0.00 51.96 52.10 2dic s ALA 16 Cb -0.08 -0.64 -0.02 0.00 0.00 0.00 0.00 23.12 22.38 2dic s ALA 16 CO 0.01 -0.52 0.30 1.14 0.00 0.00 0.00 175.76 176.69 2dic s GLN 17 N 2.17 1.35 0.00 0.00 -2.07 -0.56 -5.01 119.66 115.54 2dic s GLN 17 Ca 0.05 -1.41 0.00 0.00 -1.82 0.00 0.00 55.36 52.18 2dic s GLN 17 Cb -0.12 0.37 0.00 0.00 -1.09 0.00 0.00 33.01 32.17 2dic s GLN 17 CO -0.03 -0.51 0.00 0.41 -1.32 0.00 0.00 175.29 173.84 2dic n GLY 18 N -0.31 0.87 0.24 2.60 0.00 -1.26 0.11 105.19 107.43 2dic n GLY 18 Ca -0.01 -2.15 -0.13 0.00 0.00 0.00 0.00 46.02 43.74 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 7.80 0.81 0.00 1.61 0.13 -1.87 -2.03 132.00 138.45 2dic h PRO 19 Ca 0.00 -0.43 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 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 1.06 0.09 0.41 -0.23 0.00 0.00 178.00 179.33 2dic n GLY 20 N 0.15 -0.60 0.03 1.56 0.00 0.44 0.02 105.19 106.79 2dic n GLY 20 Ca -0.03 0.08 -0.02 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.79 0.00 -0.08 0.99 4.77 -1.11 -4.72 117.00 115.06 2dic n LEU 21 Ca -0.01 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.83 2dic n LEU 21 Cb 0.10 0.15 -0.10 0.00 -2.33 0.00 0.00 43.42 41.25 2dic n LEU 21 CO 0.04 0.15 -0.05 0.50 -1.33 0.00 0.00 177.39 176.71 2dic h LYS 22 N 0.00 0.00 -2.15 3.23 3.64 -0.39 -3.42 116.57 117.49 2dic h LYS 22 Ca -0.17 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.16 2dic h LYS 22 Cb 1.21 0.00 -0.21 0.00 -0.41 0.00 0.00 32.23 32.81 2dic h LYS 22 CO 0.01 0.77 0.06 -1.83 -2.27 0.00 0.00 179.45 176.19 2dic s GLU 23 N -2.18 0.78 0.42 1.90 -1.05 0.10 -4.61 118.70 114.06 2dic s GLU 23 Ca -0.20 0.87 0.04 0.00 -0.15 0.00 0.00 54.97 55.54 2dic s GLU 23 Cb 0.01 0.38 -0.02 0.00 -0.44 0.00 0.00 34.13 34.06 2dic s GLU 23 CO 0.52 -0.10 0.16 0.00 0.95 0.00 0.00 175.26 176.78 2dic s ALA 24 N 0.25 2.93 0.25 -0.84 0.00 -1.23 -4.20 121.76 118.92 2dic s ALA 24 Ca -0.01 -1.21 0.02 0.00 0.00 0.00 0.00 51.96 50.76 2dic s ALA 24 Cb -0.04 0.83 -0.04 0.00 0.00 0.00 0.00 23.12 23.87 2dic s ALA 24 CO 0.01 -0.37 0.17 -0.06 0.00 0.00 0.00 175.76 175.51 2dic s PHE 25 N -3.19 1.39 -0.03 0.00 0.40 -1.26 -2.50 117.98 112.78 2dic s PHE 25 Ca 0.23 -1.44 -0.26 0.00 -0.60 0.00 0.00 56.93 54.86 2dic s PHE 25 Cb 0.01 -0.65 -0.04 0.00 0.51 0.00 0.00 43.02 42.85 2dic s PHE 25 CO 0.16 -0.67 0.80 0.95 0.70 0.00 0.00 175.22 177.16 2dic s THR 26 N -3.89 4.95 -1.51 0.64 -4.23 0.43 -3.73 115.64 108.30 2dic s THR 26 Ca 0.39 1.68 -0.04 0.00 -1.18 0.00 0.00 61.69 62.53 2dic s THR 26 Cb 0.06 -4.14 0.02 0.00 1.34 0.00 0.00 72.50 69.77 2dic s THR 26 CO 0.17 0.23 0.46 0.59 -0.54 0.00 0.00 174.62 175.53 2dic n ASN 27 N 3.72 -5.52 -4.26 3.99 5.03 -0.43 -4.70 115.26 113.08 2dic n ASN 27 Ca 0.01 -0.23 -0.24 0.00 0.87 0.00 0.00 54.58 54.99 2dic n ASN 27 Cb 0.51 -4.51 -0.13 0.00 -1.02 0.00 0.00 39.78 34.63 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 -5.62 1.18 -0.21 3.52 1.02 -1.24 -5.00 119.74 113.40 2dic s LYS 28 Ca 0.26 -1.06 -0.29 0.00 0.02 0.00 0.00 55.97 54.90 2dic s LYS 28 Cb -0.12 -1.37 -0.03 0.00 -0.52 0.00 0.00 37.83 35.79 2dic s LYS 28 CO 0.32 0.33 1.60 -1.25 -0.92 0.00 0.00 175.35 175.43 2dic s PRO 29 N -1.62 3.84 -0.17 -1.68 0.04 -1.26 -4.39 135.00 129.75 2dic s PRO 29 Ca 0.06 1.69 0.01 0.00 0.04 0.00 0.00 61.00 62.80 2dic s PRO 29 Cb -0.09 -4.02 0.03 0.00 0.04 0.00 0.00 34.50 30.45 2dic s PRO 29 CO 0.03 -1.24 -0.15 -0.80 0.04 0.00 0.00 177.00 174.88 2dic s ASN 30 N 4.08 3.03 0.32 6.66 0.01 -0.82 -4.99 114.94 123.23 2dic s ASN 30 Ca 0.71 -0.65 0.03 0.00 -0.71 0.00 0.00 52.86 52.24 2dic s ASN 30 Cb -0.25 -1.30 -0.06 0.00 0.41 0.00 0.00 41.25 40.05 2dic s ASN 30 CO 0.29 -0.06 0.07 0.68 -1.51 0.00 0.00 177.10 176.57 2dic s VAL 31 N 1.39 0.98 0.05 1.60 -7.23 -1.26 -0.93 120.40 114.99 2dic s VAL 31 Ca 0.03 -2.00 -0.16 0.00 -1.81 0.00 0.00 61.98 58.05 2dic s VAL 31 Cb -0.14 -2.72 0.03 0.00 0.56 0.00 0.00 36.38 34.11 2dic s VAL 31 CO -0.11 0.00 0.35 0.72 -0.31 0.00 0.00 175.10 175.76 2dic s PHE 32 N -3.40 -0.18 -0.11 2.82 -0.12 -1.21 -0.42 117.98 115.36 2dic s PHE 32 Ca 0.36 0.06 -0.19 0.00 -0.05 0.00 0.00 56.93 57.11 2dic s PHE 32 Cb 0.08 0.16 -0.04 0.00 -0.63 0.00 0.00 43.02 42.58 2dic s PHE 32 CO 0.15 -0.55 0.51 0.99 -0.05 0.00 0.00 175.22 176.27 2dic s THR 33 N -2.63 5.17 -0.23 -4.49 2.01 0.29 -4.08 115.64 111.68 2dic s THR 33 Ca -0.04 1.02 0.01 0.00 0.31 0.00 0.00 61.69 62.98 2dic s THR 33 Cb -0.01 -3.85 0.06 0.00 0.01 0.00 0.00 72.50 68.72 2dic s THR 33 CO -0.04 0.32 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.45 2dic s VAL 34 N 0.64 1.66 -0.36 3.82 1.01 -1.07 -1.50 120.40 124.59 2dic s VAL 34 Ca 0.27 -1.27 -0.12 0.00 0.00 0.00 0.00 61.98 60.86 2dic s VAL 34 Cb -0.15 -1.88 0.01 0.00 0.00 0.00 0.00 36.38 34.36 2dic s VAL 34 CO 0.11 -0.06 0.22 -0.69 0.00 0.00 0.00 175.10 174.69 2dic s VAL 35 N 1.34 4.82 -0.44 2.92 1.01 -1.10 -1.31 120.40 127.64 2dic s VAL 35 Ca -0.06 -0.63 0.06 0.00 0.00 0.00 0.00 61.98 61.35 2dic s VAL 35 Cb -0.19 -3.61 0.42 0.00 0.00 0.00 0.00 36.38 33.00 2dic s VAL 35 CO -0.06 -0.15 1.09 0.35 0.00 0.00 0.00 175.10 176.32 2dic n THR 36 N 5.04 2.28 -2.45 3.92 -2.24 -1.26 -2.83 114.28 116.75 2dic n THR 36 Ca -0.12 -4.82 -0.43 0.00 -2.27 0.00 0.00 64.05 56.41 2dic n THR 36 Cb 0.47 -1.12 0.00 0.00 -2.10 0.00 0.00 70.33 67.59 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 -0.43 3.18 0.00 -0.78 1.85 -1.26 -3.53 116.66 115.69 2dic n ARG 37 Ca 0.36 -3.25 0.00 0.00 -1.00 0.00 0.00 57.85 53.96 2dic n ARG 37 Cb 0.66 -3.34 0.00 0.00 -1.05 0.00 0.00 32.46 28.73 2dic n ARG 37 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2dic n GLY 38 N 4.75 1.26 0.25 2.89 0.00 -1.26 -5.00 105.19 108.08 2dic n GLY 38 Ca 0.47 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.65 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 0.53 0.00 4.61 0.00 -1.23 -4.85 120.51 119.57 2dic n ALA 39 Ca 0.00 0.80 0.00 0.00 0.00 0.00 0.00 53.44 54.24 2dic n ALA 39 Cb 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 19.45 18.79 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 -1.31 0.60 2.75 0.00 0.00 -1.26 -1.08 105.19 104.89 2dic n GLY 40 Ca 0.22 -1.54 -0.30 0.00 0.00 0.00 0.00 46.02 44.40 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 -3.77 1.49 0.00 -0.61 -1.09 -1.26 -5.06 121.20 110.89 2dic s ILE 41 Ca 0.00 -2.48 0.00 0.00 -2.23 0.00 0.00 60.65 55.94 2dic s ILE 41 Cb 0.00 -2.05 0.00 0.00 -1.58 0.00 0.00 42.46 38.83 2dic s ILE 41 CO 0.00 -0.85 0.00 0.61 -1.23 0.00 0.00 174.94 173.47 2dic n GLY 42 N 3.68 3.42 3.40 6.18 0.00 -1.26 -4.99 105.19 115.62 2dic n GLY 42 Ca 0.07 -1.16 -0.36 0.00 0.00 0.00 0.00 46.02 44.57 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 -0.49 1.70 -0.26 -0.02 0.00 -1.26 -4.85 107.32 102.14 2dic s GLY 43 Ca 0.00 -1.12 -0.23 0.00 0.00 0.00 0.00 44.72 43.37 2dic s GLY 43 CO 0.00 0.44 0.78 -2.27 0.00 0.00 0.00 173.10 172.05 2dic s LEU 44 N 1.45 4.08 -0.32 0.66 2.96 -1.26 -1.35 118.68 124.89 2dic s LEU 44 Ca 0.05 0.88 -0.06 0.00 -0.22 0.00 0.00 54.13 54.78 2dic s LEU 44 Cb -0.15 -3.10 0.03 0.00 0.50 0.00 0.00 46.19 43.48 2dic s LEU 44 CO 0.01 -0.51 0.09 -0.83 -1.32 0.00 0.00 176.35 173.78 2dic s GLY 45 N 1.43 1.81 -0.16 7.98 0.00 -0.05 -4.97 107.32 113.37 2dic s GLY 45 Ca 0.33 -1.64 -0.03 0.00 0.00 0.00 0.00 44.72 43.38 2dic s GLY 45 CO 0.09 0.72 -0.06 -0.42 0.00 0.00 0.00 173.10 173.43 2dic s ILE 46 N 1.43 3.62 0.05 0.90 1.01 -1.26 -1.71 121.20 125.23 2dic s ILE 46 Ca -0.00 -0.45 -0.00 0.00 0.00 0.00 0.00 60.65 60.19 2dic s ILE 46 Cb -0.19 -2.58 -0.04 0.00 0.01 0.00 0.00 42.46 39.67 2dic s ILE 46 CO 0.02 0.49 -0.04 0.42 0.00 0.00 0.00 174.94 175.84 2dic s THR 47 N 0.50 0.26 -0.04 2.92 -4.23 0.45 -4.98 115.64 110.52 2dic s THR 47 Ca -0.05 -1.63 0.04 0.00 -1.18 0.00 0.00 61.69 58.87 2dic s THR 47 Cb -0.15 -1.27 -0.00 0.00 1.34 0.00 0.00 72.50 72.42 2dic s THR 47 CO 0.03 -0.87 -0.16 -0.69 -0.54 0.00 0.00 174.62 172.39 2dic s VAL 48 N -3.35 1.30 0.10 2.29 1.01 -1.26 0.31 120.40 120.81 2dic s VAL 48 Ca 0.03 -0.65 0.09 0.00 0.00 0.00 0.00 61.98 61.45 2dic s VAL 48 Cb 0.04 -1.13 -0.04 0.00 0.00 0.00 0.00 36.38 35.26 2dic s VAL 48 CO -0.07 0.38 -0.24 -1.61 0.00 0.00 0.00 175.10 173.56 2dic s GLU 49 N 0.07 1.33 0.00 2.72 0.41 -1.06 -4.65 118.70 117.52 2dic s GLU 49 Ca -0.04 -1.21 0.00 0.00 -0.41 0.00 0.00 54.97 53.31 2dic s GLU 49 Cb -0.11 -1.67 0.00 0.00 -1.78 0.00 0.00 34.13 30.57 2dic s GLU 49 CO 0.02 0.40 0.00 0.41 -0.49 0.00 0.00 175.26 175.60 2dic n GLY 50 N 1.15 -0.97 0.00 -1.39 0.00 -1.26 -1.63 105.19 101.09 2dic n GLY 50 Ca -0.18 -0.79 0.08 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 0.00 0.45 -3.56 1.61 -0.04 -1.26 -4.71 135.00 127.48 2dic n PRO 51 Ca 0.00 0.02 -0.16 0.00 -0.04 0.00 0.00 63.50 63.32 2dic n PRO 51 Cb 0.00 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.90 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 -2.09 -0.65 -0.03 3.54 1.04 -1.26 -4.93 113.70 109.31 2dic s SER 52 Ca 0.22 0.91 -0.30 0.00 0.48 0.00 0.00 55.95 57.26 2dic s SER 52 Cb 0.11 0.80 -0.06 0.00 0.10 0.00 0.00 66.02 66.97 2dic s SER 52 CO 0.19 -0.47 1.59 -1.61 0.98 0.00 0.00 173.24 173.92 2dic s GLU 53 N -0.68 4.20 -0.02 4.02 2.02 -1.26 -4.72 118.70 122.26 2dic s GLU 53 Ca -0.07 2.14 -0.14 0.00 0.02 0.00 0.00 54.97 56.92 2dic s GLU 53 Cb -0.02 -3.84 -0.05 0.00 0.10 0.00 0.00 34.13 30.32 2dic s GLU 53 CO 0.06 -0.77 0.39 -1.12 0.02 0.00 0.00 175.26 173.84 2dic s SER 54 N 2.85 6.77 -0.82 -0.19 0.01 -1.26 -4.47 113.70 116.58 2dic s SER 54 Ca 0.71 0.91 -0.26 0.00 1.31 0.00 0.00 55.95 58.62 2dic s SER 54 Cb -0.33 -2.24 0.02 0.00 0.21 0.00 0.00 66.02 63.68 2dic s SER 54 CO 0.28 0.31 1.45 -0.54 0.41 0.00 0.00 173.24 175.15 2dic s LYS 55 N -0.96 3.20 0.25 12.44 1.02 -0.65 -4.77 119.74 130.28 2dic s LYS 55 Ca 0.23 -0.41 -0.10 0.00 0.02 0.00 0.00 55.97 55.71 2dic s LYS 55 Cb -0.16 -4.62 -0.07 0.00 -0.52 0.00 0.00 37.83 32.45 2dic s LYS 55 CO 0.12 -2.32 0.59 0.42 -0.92 0.00 0.00 175.35 173.24 2dic s ILE 56 N 6.20 4.89 -0.23 2.17 1.01 -1.26 -2.11 121.20 131.88 2dic s ILE 56 Ca 0.44 0.53 -0.03 0.00 0.00 0.00 0.00 60.65 61.59 2dic s ILE 56 Cb -0.06 -3.63 0.12 0.00 0.01 0.00 0.00 42.46 38.91 2dic s ILE 56 CO 0.07 -0.12 0.35 0.20 0.00 0.00 0.00 174.94 175.44 2dic s ASN 57 N -2.42 0.38 0.46 3.58 0.01 0.95 -4.97 114.94 112.94 2dic s ASN 57 Ca 0.48 0.23 -0.21 0.00 -0.71 0.00 0.00 52.86 52.66 2dic s ASN 57 Cb -0.11 1.00 -0.09 0.00 0.41 0.00 0.00 41.25 42.46 2dic s ASN 57 CO 0.21 -0.30 1.02 0.00 -1.51 0.00 0.00 177.10 176.53 2dic s ARG 59 N -3.09 0.93 -0.25 0.00 3.52 -0.13 -4.98 118.95 114.95 2dic s ARG 59 Ca 0.65 -0.48 -0.12 0.00 -0.13 0.00 0.00 55.73 55.65 2dic s ARG 59 Cb -0.16 -0.90 -0.05 0.00 -1.56 0.00 0.00 34.95 32.28 2dic s ARG 59 CO 0.20 0.24 0.23 0.34 -0.81 0.00 0.00 175.30 175.50 2dic s ASP 60 N -0.44 6.15 -0.24 -2.12 2.15 -1.26 -3.26 116.67 117.65 2dic s ASP 60 Ca 0.04 0.16 -0.06 0.00 0.43 0.00 0.00 52.55 53.11 2dic s ASP 60 Cb -0.05 -2.14 -0.02 0.00 -0.30 0.00 0.00 42.92 40.40 2dic s ASP 60 CO -0.00 -0.02 0.04 0.20 -0.17 0.00 0.00 175.17 175.22 2dic s ASN 61 N 1.32 4.91 -0.24 -0.34 0.01 -1.26 -4.98 114.94 114.36 2dic s ASN 61 Ca 0.10 -0.25 -0.01 0.00 -0.71 0.00 0.00 52.86 52.00 2dic s ASN 61 Cb -0.15 -1.87 0.16 0.00 0.41 0.00 0.00 41.25 39.80 2dic s ASN 61 CO 0.07 -0.02 2.02 0.29 -1.51 0.00 0.00 177.10 177.96 2dic n LYS 62 N 4.82 1.61 0.00 -0.60 4.76 -1.26 -3.93 118.16 123.56 2dic n LYS 62 Ca -0.17 -1.18 0.00 0.00 -2.87 0.00 0.00 58.31 54.09 2dic n LYS 62 Cb 0.51 -1.47 0.00 0.00 -1.84 0.00 0.00 35.03 32.24 2dic n LYS 62 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 2dic n ASP 63 N 0.65 0.11 0.00 4.39 5.68 -1.26 -5.06 116.55 121.05 2dic n ASP 63 Ca 0.23 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.52 2dic n ASP 63 Cb 0.56 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.54 2dic n ASP 63 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2dic n GLY 64 N 2.72 0.00 3.23 6.12 0.00 -1.25 -5.18 105.19 110.83 2dic n GLY 64 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 2dic n GLY 64 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dic n SER 65 N 0.00 -1.26 -4.00 1.61 3.41 -1.26 -4.49 113.62 107.63 2dic n SER 65 Ca 0.00 -1.53 -0.19 0.00 -0.26 0.00 0.00 58.87 56.89 2dic n SER 65 Cb 0.00 2.01 -0.15 0.00 -0.26 0.00 0.00 64.21 65.81 2dic n SER 65 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2dic s SER 67 N -0.01 3.60 -0.03 0.00 0.01 -1.20 -2.61 113.70 113.45 2dic s SER 67 Ca 0.01 -0.37 -0.01 0.00 1.31 0.00 0.00 55.95 56.88 2dic s SER 67 Cb -0.05 -0.59 0.03 0.00 0.21 0.00 0.00 66.02 65.62 2dic s SER 67 CO -0.00 0.31 0.05 0.00 0.41 0.00 0.00 173.24 174.01 2dic s ALA 68 N -0.75 0.11 0.05 1.44 0.00 -1.26 -0.96 121.76 120.39 2dic s ALA 68 Ca 0.12 0.30 0.07 0.00 0.00 0.00 0.00 51.96 52.45 2dic s ALA 68 Cb -0.10 -0.41 -0.03 0.00 0.00 0.00 0.00 23.12 22.57 2dic s ALA 68 CO 0.01 -0.26 -0.18 -1.83 0.00 0.00 0.00 175.76 173.50 2dic s GLU 69 N 1.51 2.04 -0.02 0.00 -1.05 -0.89 -3.32 118.70 116.97 2dic s GLU 69 Ca -0.04 -1.00 -0.09 0.00 -0.15 0.00 0.00 54.97 53.69 2dic s GLU 69 Cb -0.13 -2.18 0.01 0.00 -0.44 0.00 0.00 34.13 31.40 2dic s GLU 69 CO -0.03 0.53 0.19 1.52 0.95 0.00 0.00 175.26 178.42 2dic s TYR 70 N -0.95 -0.06 -0.22 4.83 -0.85 -0.11 -0.03 117.35 119.95 2dic s TYR 70 Ca 0.15 0.10 -0.03 0.00 -0.52 0.00 0.00 57.07 56.77 2dic s TYR 70 Cb -0.10 0.01 0.07 0.00 0.38 0.00 0.00 41.96 42.32 2dic s TYR 70 CO 0.06 -0.27 0.08 0.42 -1.52 0.00 0.00 175.55 174.31 2dic s ILE 71 N -1.06 0.32 1.03 -3.49 1.01 -0.90 -1.94 121.20 116.17 2dic s ILE 71 Ca -0.11 -0.63 -0.13 0.00 0.00 0.00 0.00 60.65 59.78 2dic s ILE 71 Cb -0.06 -1.01 0.21 0.00 0.01 0.00 0.00 42.46 41.61 2dic s ILE 71 CO 0.02 -0.40 1.09 -2.16 0.00 0.00 0.00 174.94 173.50 2dic s PRO 72 N 1.94 0.15 0.00 2.79 0.04 -1.26 -1.64 135.00 137.02 2dic s PRO 72 Ca 0.03 0.43 0.00 0.00 0.04 0.00 0.00 61.00 61.50 2dic s PRO 72 Cb -0.17 -1.71 0.00 0.00 0.04 0.00 0.00 34.50 32.66 2dic s PRO 72 CO -0.16 -2.90 0.00 1.19 0.04 0.00 0.00 177.00 175.17 2dic n PHE 73 N -4.28 0.00 -3.84 0.56 3.01 -1.26 -1.31 117.46 110.34 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 -1.18 -0.33 0.36 4.37 0.00 -1.26 -4.81 121.76 118.91 2dic s ALA 74 Ca 0.00 0.20 -0.27 0.00 0.00 0.00 0.00 51.96 51.89 2dic s ALA 74 Cb 0.00 -0.11 -0.09 0.00 0.00 0.00 0.00 23.12 22.92 2dic s ALA 74 CO 0.00 -0.12 1.20 -1.25 0.00 0.00 0.00 175.76 175.60 2dic s PRO 75 N -0.46 4.23 0.00 0.00 0.04 -1.26 -4.80 135.00 132.75 2dic s PRO 75 Ca -0.05 1.96 0.00 0.00 0.04 0.00 0.00 61.00 62.95 2dic s PRO 75 Cb -0.04 -2.88 0.00 0.00 0.04 0.00 0.00 34.50 31.63 2dic s PRO 75 CO 0.01 -0.21 0.00 0.41 0.04 0.00 0.00 177.00 177.25 2dic n GLY 76 N 0.78 -1.37 3.57 0.56 0.00 -0.70 -4.91 105.19 103.13 2dic n GLY 76 Ca 0.02 -1.22 -0.40 0.00 0.00 0.00 0.00 46.02 44.42 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 6.23 0.34 1.61 1.47 -1.26 -0.67 116.67 120.39 2dic s ASP 77 Ca 0.00 0.01 0.07 0.00 1.18 0.00 0.00 52.55 53.81 2dic s ASP 77 Cb 0.00 -2.21 -0.02 0.00 -0.34 0.00 0.00 42.92 40.34 2dic s ASP 77 CO 0.00 -0.30 0.32 -0.31 0.68 0.00 0.00 175.17 175.56 2dic s TYR 78 N 2.11 2.93 -0.20 2.11 1.51 -1.05 -4.66 117.35 120.10 2dic s TYR 78 Ca 0.14 -0.30 -0.02 0.00 -1.01 0.00 0.00 57.07 55.88 2dic s TYR 78 Cb -0.16 -1.84 0.06 0.00 -0.11 0.00 0.00 41.96 39.91 2dic s TYR 78 CO 0.11 0.14 0.02 -0.51 -1.11 0.00 0.00 175.55 174.20 2dic s ASP 79 N -4.03 3.01 -0.62 2.29 1.01 -0.65 -2.10 116.67 115.58 2dic s ASP 79 Ca 0.42 -0.85 -0.28 0.00 0.71 0.00 0.00 52.55 52.55 2dic s ASP 79 Cb -0.06 -0.68 0.03 0.00 1.01 0.00 0.00 42.92 43.21 2dic s ASP 79 CO 0.27 -0.29 1.22 -0.69 0.21 0.00 0.00 175.17 175.90 2dic s VAL 80 N 1.79 3.93 -0.32 -1.27 1.01 -0.91 -2.56 120.40 122.08 2dic s VAL 80 Ca -0.01 0.78 -0.22 0.00 0.00 0.00 0.00 61.98 62.52 2dic s VAL 80 Cb -0.17 -4.77 -0.00 0.00 0.00 0.00 0.00 36.38 31.44 2dic s VAL 80 CO -0.08 -1.46 0.73 0.20 0.00 0.00 0.00 175.10 174.49 2dic s ASN 81 N 3.20 6.58 -0.17 3.32 0.01 0.15 -2.32 114.94 125.70 2dic s ASN 81 Ca 0.41 0.49 0.00 0.00 -0.71 0.00 0.00 52.86 53.06 2dic s ASN 81 Cb -0.08 -2.38 0.04 0.00 0.41 0.00 0.00 41.25 39.24 2dic s ASN 81 CO 0.23 -0.60 -0.10 -0.63 -1.51 0.00 0.00 177.10 174.49 2dic s ILE 82 N 2.87 1.48 -0.03 0.60 1.01 -1.26 -0.41 121.20 125.46 2dic s ILE 82 Ca 0.30 -0.80 0.06 0.00 0.00 0.00 0.00 60.65 60.21 2dic s ILE 82 Cb -0.14 -1.53 -0.01 0.00 0.01 0.00 0.00 42.46 40.78 2dic s ILE 82 CO 0.13 0.24 -0.21 0.42 0.00 0.00 0.00 174.94 175.53 2dic s THR 83 N 1.49 1.67 -0.39 2.92 -4.23 -0.70 -2.71 115.64 113.70 2dic s THR 83 Ca 0.01 -0.89 -0.09 0.00 -1.18 0.00 0.00 61.69 59.55 2dic s THR 83 Cb -0.15 -1.40 0.06 0.00 1.34 0.00 0.00 72.50 72.34 2dic s THR 83 CO -0.09 0.47 0.20 -0.47 -0.54 0.00 0.00 174.62 174.20 2dic s TYR 84 N -0.34 3.30 0.00 3.99 5.04 -0.40 -0.87 117.35 128.08 2dic s TYR 84 Ca 0.04 -1.40 0.00 0.00 -2.44 0.00 0.00 57.07 53.27 2dic s TYR 84 Cb -0.10 -2.65 0.00 0.00 0.35 0.00 0.00 41.96 39.57 2dic s TYR 84 CO 0.00 -0.77 0.00 0.41 -1.34 0.00 0.00 175.55 173.85 2dic n GLY 85 N 4.90 1.91 0.72 8.97 0.00 -0.46 -2.98 105.19 118.24 2dic n GLY 85 Ca -0.11 0.02 -0.03 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 0.79 3.19 -0.02 0.00 -1.26 -4.78 105.19 103.10 2dic n GLY 86 Ca 0.00 -0.02 -0.11 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 1.07 -0.23 4.61 0.00 -1.16 -5.15 121.76 120.90 2dic s ALA 87 Ca 0.01 -1.56 -0.10 0.00 0.00 0.00 0.00 51.96 50.30 2dic s ALA 87 Cb 0.01 0.90 -0.05 0.00 0.00 0.00 0.00 23.12 23.98 2dic s ALA 87 CO -0.00 -0.47 0.15 -1.01 0.00 0.00 0.00 175.76 174.42 2dic s HIS 88 N -3.97 3.31 0.60 0.00 0.09 -1.26 -1.27 115.29 112.80 2dic s HIS 88 Ca 0.27 0.20 -0.18 0.00 -0.00 0.00 0.00 55.06 55.36 2dic s HIS 88 Cb 0.07 -2.24 -0.03 0.00 -0.00 0.00 0.00 32.58 30.38 2dic s HIS 88 CO 0.05 0.08 1.18 0.96 -0.00 0.00 0.00 174.74 177.00 2dic s ILE 89 N 0.96 2.81 -0.79 0.60 -4.36 -1.10 -4.88 121.20 114.43 2dic s ILE 89 Ca 0.07 0.47 -0.25 0.00 -0.26 0.00 0.00 60.65 60.68 2dic s ILE 89 Cb -0.13 -3.13 -0.04 0.00 1.25 0.00 0.00 42.46 40.41 2dic s ILE 89 CO 0.04 -0.14 1.92 -2.16 0.24 0.00 0.00 174.94 174.83 2dic s PRO 90 N -3.49 2.58 0.00 0.37 0.04 -1.24 -2.70 135.00 130.56 2dic s PRO 90 Ca 0.75 0.06 0.00 0.00 0.04 0.00 0.00 61.00 61.84 2dic s PRO 90 Cb -0.27 -4.80 0.00 0.00 0.04 0.00 0.00 34.50 29.46 2dic s PRO 90 CO 0.34 -3.13 0.00 0.41 0.04 0.00 0.00 177.00 174.66 2dic n GLY 91 N 6.41 0.42 3.78 0.56 0.00 -1.26 -4.99 105.19 110.10 2dic n GLY 91 Ca 0.33 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.07 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 5.44 0.40 1.61 0.15 -1.10 -3.56 113.70 116.65 2dic s SER 92 Ca 0.00 -0.11 -0.25 0.00 0.70 0.00 0.00 55.95 56.28 2dic s SER 92 Cb 0.00 -1.41 -0.08 0.00 -1.71 0.00 0.00 66.02 62.81 2dic s SER 92 CO 0.00 0.11 1.19 -2.16 1.20 0.00 0.00 173.24 173.58 2dic s PRO 93 N -2.82 4.06 -0.32 5.44 0.04 -1.26 -4.88 135.00 135.26 2dic s PRO 93 Ca 0.30 1.89 -0.18 0.00 0.04 0.00 0.00 61.00 63.06 2dic s PRO 93 Cb -0.11 -2.71 -0.01 0.00 0.04 0.00 0.00 34.50 31.71 2dic s PRO 93 CO 0.22 -0.33 0.50 -0.06 0.04 0.00 0.00 177.00 177.37 2dic s PHE 94 N -1.38 3.21 0.14 0.56 0.40 -0.98 -4.78 117.98 115.15 2dic s PHE 94 Ca 0.57 0.31 -0.31 0.00 -0.60 0.00 0.00 56.93 56.90 2dic s PHE 94 Cb -0.32 -2.83 -0.09 0.00 0.51 0.00 0.00 43.02 40.29 2dic s PHE 94 CO 0.40 -0.44 1.49 0.50 0.70 0.00 0.00 175.22 177.87 2dic s ARG 95 N 2.33 4.26 -0.26 0.44 6.06 -1.26 -2.13 118.95 128.40 2dic s ARG 95 Ca 0.19 2.23 -0.02 0.00 -2.50 0.00 0.00 55.73 55.62 2dic s ARG 95 Cb -0.16 -3.22 0.08 0.00 0.06 0.00 0.00 34.95 31.72 2dic s ARG 95 CO 0.12 -0.54 0.08 0.08 -2.50 0.00 0.00 175.30 172.54 2dic s VAL 96 N 1.19 0.56 -0.64 7.11 1.01 -0.89 -4.76 120.40 123.98 2dic s VAL 96 Ca 0.68 -0.94 -0.26 0.00 0.00 0.00 0.00 61.98 61.46 2dic s VAL 96 Cb -0.40 -1.28 -0.02 0.00 0.00 0.00 0.00 36.38 34.67 2dic s VAL 96 CO 0.31 -0.49 1.87 -2.16 0.00 0.00 0.00 175.10 174.62 2dic s PRO 97 N 1.81 2.61 -0.36 2.72 0.04 -1.26 -2.52 135.00 138.04 2dic s PRO 97 Ca 0.05 0.54 -0.28 0.00 0.04 0.00 0.00 61.00 61.35 2dic s PRO 97 Cb -0.17 -4.44 0.02 0.00 0.04 0.00 0.00 34.50 29.94 2dic s PRO 97 CO -0.20 -2.79 1.03 0.08 0.04 0.00 0.00 177.00 175.15 2dic s VAL 98 N 9.19 4.49 0.43 -0.36 1.01 0.16 -3.56 120.40 131.76 2dic s VAL 98 Ca 0.68 1.45 0.06 0.00 0.00 0.00 0.00 61.98 64.17 2dic s VAL 98 Cb -0.12 -4.41 0.01 0.00 0.00 0.00 0.00 36.38 31.86 2dic s VAL 98 CO 0.19 -0.58 0.59 -0.54 0.00 0.00 0.00 175.10 174.76 2dic s LYS 99 N 3.70 2.85 -0.22 2.72 1.02 -1.04 -1.71 119.74 127.05 2dic s LYS 99 Ca 0.43 -1.06 -0.07 0.00 0.02 0.00 0.00 55.97 55.29 2dic s LYS 99 Cb -0.11 -2.71 -0.03 0.00 -0.52 0.00 0.00 37.83 34.46 2dic s LYS 99 CO 0.19 -0.29 0.07 0.16 -0.92 0.00 0.00 175.35 174.56 2dic s ASP 100 N -4.32 5.29 0.10 2.83 -4.77 -1.26 -0.43 116.67 114.11 2dic s ASP 100 Ca 0.53 -0.11 -0.34 0.00 -3.30 0.00 0.00 52.55 49.34 2dic s ASP 100 Cb -0.10 -1.93 -0.14 0.00 -1.09 0.00 0.00 42.92 39.65 2dic s ASP 100 CO 0.34 0.04 1.58 0.58 0.70 0.00 0.00 175.17 178.41 2dic h VAL 101 N 5.31 0.08 -1.12 2.11 2.07 -1.97 -3.41 116.25 119.32 2dic h VAL 101 Ca -0.37 0.00 -0.68 0.00 0.82 0.00 0.00 66.70 66.47 2dic h VAL 101 Cb 1.18 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 2dic h VAL 101 CO 0.61 0.00 1.33 1.33 0.02 0.00 0.00 177.57 180.86 2dic n VAL 102 N -5.51 0.21 -1.28 2.57 0.24 -1.26 -4.83 118.33 108.46 2dic n VAL 102 Ca -0.10 -0.20 -0.40 0.00 -2.04 0.00 0.00 64.34 61.59 2dic n VAL 102 Cb 0.42 -1.52 0.00 0.00 -1.47 0.00 0.00 33.84 31.28 2dic n VAL 102 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 2dic n ASP 103 N 8.93 -3.13 -4.62 -1.34 5.68 -1.26 -4.78 116.55 116.02 2dic n ASP 103 Ca 0.39 0.74 -0.43 0.00 -0.50 0.00 0.00 54.79 55.00 2dic n ASP 103 Cb 0.20 -0.88 -0.03 0.00 -1.14 0.00 0.00 41.12 39.27 2dic n ASP 103 CO 0.00 0.00 0.00 -2.16 -1.33 0.00 0.00 177.20 173.71 2dic s PRO 104 N -1.05 3.71 0.00 0.11 0.04 -1.26 -5.16 135.00 131.40 2dic s PRO 104 Ca 0.59 1.58 0.24 0.00 0.04 0.00 0.00 61.00 63.44 2dic s PRO 104 Cb -0.57 -4.06 0.23 0.00 0.04 0.00 0.00 34.50 30.14 2dic s PRO 104 CO 0.64 -1.40 1.28 0.43 0.04 0.00 0.00 177.00 177.99