#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 2.91 -0.07 1.61 3.41 -1.26 -4.84 113.62 115.39 2dic n SER 2 Ca 0.00 0.05 -0.08 0.00 -0.26 0.00 0.00 58.87 58.58 2dic n SER 2 Cb 0.00 -1.53 -0.05 0.00 -0.26 0.00 0.00 64.21 62.36 2dic n SER 2 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2dic h SER 3 N 15.92 0.00 0.00 4.04 0.87 -2.11 -3.48 113.55 128.79 2dic h SER 3 Ca -0.36 -0.33 0.00 0.00 -1.23 0.00 0.00 61.79 59.87 2dic h SER 3 Cb 1.25 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.21 2dic h SER 3 CO 1.02 0.82 0.00 0.61 -0.53 0.00 0.00 176.83 178.74 2dic n GLY 4 N 1.65 1.41 3.74 5.77 0.00 -1.26 -5.03 105.19 111.47 2dic n GLY 4 Ca -0.08 -1.55 -0.40 0.00 0.00 0.00 0.00 46.02 43.98 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 -1.00 7.17 -0.30 1.61 0.01 -1.26 -5.04 113.70 114.89 2dic s SER 5 Ca 0.00 1.40 -0.15 0.00 1.31 0.00 0.00 55.95 58.51 2dic s SER 5 Cb 0.00 -2.46 0.15 0.00 0.21 0.00 0.00 66.02 63.92 2dic s SER 5 CO 0.00 -0.04 0.93 -0.55 0.41 0.00 0.00 173.24 173.99 2dic s SER 6 N 0.24 -0.65 0.00 2.44 0.15 -1.26 -5.15 113.70 109.47 2dic s SER 6 Ca 0.39 0.92 0.00 0.00 0.70 0.00 0.00 55.95 57.97 2dic s SER 6 Cb -0.20 1.62 0.00 0.00 -1.71 0.00 0.00 66.02 65.74 2dic s SER 6 CO 0.22 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.14 2dic n GLY 7 N 4.71 0.71 2.25 9.45 0.00 -1.26 -5.10 105.19 115.94 2dic n GLY 7 Ca -0.12 -2.27 -0.01 0.00 0.00 0.00 0.00 46.02 43.61 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 -0.76 0.82 3.73 -0.02 0.00 -1.26 -5.17 105.19 102.53 2dic n GLY 8 Ca 0.00 -1.04 -0.30 0.00 0.00 0.00 0.00 46.02 44.68 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 -4.96 1.77 0.00 0.00 -1.52 -0.09 -4.94 119.66 109.91 2dic s GLN 10 Ca 0.63 -2.37 0.15 0.00 -1.95 0.00 0.00 55.36 51.82 2dic s GLN 10 Cb -0.17 -3.14 0.85 0.00 -0.22 0.00 0.00 33.01 30.33 2dic s GLN 10 CO 0.56 -1.08 1.38 -0.35 -0.25 0.00 0.00 175.29 175.55 2dic n PRO 11 N 3.41 0.36 0.02 2.91 -0.04 -1.26 -2.26 135.00 138.15 2dic n PRO 11 Ca 0.05 0.07 -0.01 0.00 -0.04 0.00 0.00 63.50 63.56 2dic n PRO 11 Cb 0.34 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.21 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 -1.13 0.86 0.01 3.54 3.41 -1.26 -3.80 113.62 115.25 2dic n SER 12 Ca 0.10 0.38 0.11 0.00 -0.26 0.00 0.00 58.87 59.20 2dic n SER 12 Cb 0.08 0.12 0.47 0.00 -0.26 0.00 0.00 64.21 64.63 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 -2.91 0.01 -2.17 4.33 5.12 -0.96 -4.81 116.66 115.27 2dic n ARG 13 Ca -0.11 0.13 -0.32 0.00 -1.93 0.00 0.00 57.85 55.62 2dic n ARG 13 Cb 0.88 -1.52 -0.01 0.00 -1.16 0.00 0.00 32.46 30.65 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 -3.01 4.45 0.05 1.55 1.01 -1.25 -4.47 120.40 118.73 2dic s VAL 14 Ca 0.11 1.06 -0.07 0.00 0.00 0.00 0.00 61.98 63.07 2dic s VAL 14 Cb 0.14 -3.70 -0.01 0.00 0.00 0.00 0.00 36.38 32.82 2dic s VAL 14 CO 0.41 -0.79 0.13 0.00 0.00 0.00 0.00 175.10 174.85 2dic s GLN 15 N -4.40 0.68 -0.12 2.72 -2.07 -1.18 -4.85 119.66 110.44 2dic s GLN 15 Ca 0.58 -0.82 -0.05 0.00 -1.82 0.00 0.00 55.36 53.26 2dic s GLN 15 Cb -0.11 0.27 0.06 0.00 -1.09 0.00 0.00 33.01 32.14 2dic s GLN 15 CO 0.39 -0.19 0.25 0.00 -1.32 0.00 0.00 175.29 174.43 2dic s ALA 16 N -3.03 -0.52 -0.05 2.60 0.00 -1.26 -3.04 121.76 116.46 2dic s ALA 16 Ca -0.01 0.90 -0.13 0.00 0.00 0.00 0.00 51.96 52.72 2dic s ALA 16 Cb 0.01 -0.98 0.02 0.00 0.00 0.00 0.00 23.12 22.18 2dic s ALA 16 CO -0.07 -0.61 0.31 1.14 0.00 0.00 0.00 175.76 176.53 2dic s GLN 17 N 2.35 0.57 0.00 0.00 -2.07 -0.69 -5.00 119.66 114.81 2dic s GLN 17 Ca 0.01 -0.00 0.00 0.00 -1.82 0.00 0.00 55.36 53.54 2dic s GLN 17 Cb -0.12 0.26 0.00 0.00 -1.09 0.00 0.00 33.01 32.06 2dic s GLN 17 CO -0.08 -0.14 0.00 0.41 -1.32 0.00 0.00 175.29 174.16 2dic n GLY 18 N 1.78 -0.41 0.23 2.60 0.00 -1.26 -0.04 105.19 108.09 2dic n GLY 18 Ca -0.19 -1.58 -0.13 0.00 0.00 0.00 0.00 46.02 44.12 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 3.68 0.80 0.00 1.61 0.13 -1.86 -1.47 132.00 134.88 2dic h PRO 19 Ca 0.00 -0.42 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2dic h PRO 19 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 2dic h PRO 19 CO 0.00 1.05 0.01 0.41 -0.23 0.00 0.00 178.00 179.24 2dic n GLY 20 N 0.15 -0.72 0.07 1.56 0.00 0.61 -0.52 105.19 106.34 2dic n GLY 20 Ca -0.03 0.12 -0.09 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.96 1.51 0.03 0.99 4.77 -1.11 -4.71 117.00 116.52 2dic n LEU 21 Ca -0.01 -0.04 -0.09 0.00 -0.03 0.00 0.00 56.01 55.84 2dic n LEU 21 Cb 0.03 -0.13 -0.06 0.00 -2.33 0.00 0.00 43.42 40.93 2dic n LEU 21 CO 0.06 0.54 0.29 0.11 -1.33 0.00 0.00 177.39 177.06 2dic h LYS 22 N 0.00 -0.18 -2.13 3.23 1.57 -0.60 -3.42 116.57 115.04 2dic h LYS 22 Ca -0.35 0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.39 2dic h LYS 22 Cb 1.66 0.04 -0.21 0.00 0.08 0.00 0.00 32.23 33.80 2dic h LYS 22 CO -0.02 0.20 0.09 -1.83 -0.57 0.00 0.00 179.45 177.33 2dic s GLU 23 N -2.85 0.88 0.21 3.15 1.03 0.32 -4.57 118.70 116.87 2dic s GLU 23 Ca -0.10 0.62 0.03 0.00 0.03 0.00 0.00 54.97 55.54 2dic s GLU 23 Cb -0.00 0.42 -0.01 0.00 -0.80 0.00 0.00 34.13 33.74 2dic s GLU 23 CO 0.37 -0.18 0.09 0.00 -1.33 0.00 0.00 175.26 174.21 2dic n ALA 24 N 1.97 0.32 -2.67 -0.84 0.00 -1.22 -4.22 120.51 113.86 2dic n ALA 24 Ca -0.16 -1.08 -0.10 0.00 0.00 0.00 0.00 53.44 52.09 2dic n ALA 24 Cb 0.56 0.76 -0.08 0.00 0.00 0.00 0.00 19.45 20.70 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 -2.44 0.61 -0.02 0.00 0.40 -1.26 -3.18 117.98 112.09 2dic s PHE 25 Ca 0.13 -0.94 -0.30 0.00 -0.60 0.00 0.00 56.93 55.22 2dic s PHE 25 Cb 0.01 -0.15 -0.03 0.00 0.51 0.00 0.00 43.02 43.36 2dic s PHE 25 CO 0.09 -0.76 1.00 0.95 0.70 0.00 0.00 175.22 177.20 2dic s THR 26 N -4.03 4.81 -1.62 0.64 -4.23 -0.53 -3.32 115.64 107.35 2dic s THR 26 Ca 0.24 2.02 0.00 0.00 -1.18 0.00 0.00 61.69 62.78 2dic s THR 26 Cb 0.03 -4.30 0.00 0.00 1.34 0.00 0.00 72.50 69.58 2dic s THR 26 CO 0.05 0.13 0.00 0.59 -0.54 0.00 0.00 174.62 174.85 2dic n ASN 27 N 4.10 -5.14 -4.33 3.99 3.02 -0.74 -4.68 115.26 111.49 2dic n ASN 27 Ca 0.07 0.13 -0.30 0.00 -0.03 0.00 0.00 54.58 54.45 2dic n ASN 27 Cb 0.50 -4.21 -0.15 0.00 -0.61 0.00 0.00 39.78 35.32 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 -4.42 1.76 -0.26 3.52 1.02 -1.21 -5.01 119.74 115.15 2dic s LYS 28 Ca 0.00 -1.07 -0.29 0.00 0.02 0.00 0.00 55.97 54.63 2dic s LYS 28 Cb 0.00 -1.91 -0.02 0.00 -0.52 0.00 0.00 37.83 35.38 2dic s LYS 28 CO 0.00 0.50 1.64 -1.25 -0.92 0.00 0.00 175.35 175.31 2dic s PRO 29 N -1.17 3.68 -0.23 -1.68 0.04 -1.26 -4.47 135.00 129.91 2dic s PRO 29 Ca 0.11 1.56 0.02 0.00 0.04 0.00 0.00 61.00 62.73 2dic s PRO 29 Cb -0.10 -4.07 0.05 0.00 0.04 0.00 0.00 34.50 30.42 2dic s PRO 29 CO 0.02 -1.43 -0.14 -0.80 0.04 0.00 0.00 177.00 174.69 2dic s ASN 30 N 4.59 4.02 0.35 6.66 0.01 -0.83 -4.98 114.94 124.75 2dic s ASN 30 Ca 0.72 -1.13 0.08 0.00 -0.71 0.00 0.00 52.86 51.82 2dic s ASN 30 Cb -0.24 -1.53 -0.07 0.00 0.41 0.00 0.00 41.25 39.82 2dic s ASN 30 CO 0.30 -0.13 -0.04 0.68 -1.51 0.00 0.00 177.10 176.40 2dic s VAL 31 N 1.17 1.96 -0.03 1.60 -7.23 -1.26 -1.22 120.40 115.39 2dic s VAL 31 Ca -0.04 -2.11 -0.14 0.00 -1.81 0.00 0.00 61.98 57.88 2dic s VAL 31 Cb -0.18 -2.73 0.02 0.00 0.56 0.00 0.00 36.38 34.06 2dic s VAL 31 CO -0.08 -0.14 0.30 0.72 -0.31 0.00 0.00 175.10 175.59 2dic s PHE 32 N -2.78 -0.19 -0.05 2.82 -0.71 -1.18 -0.28 117.98 115.60 2dic s PHE 32 Ca 0.33 0.33 -0.24 0.00 -1.04 0.00 0.00 56.93 56.31 2dic s PHE 32 Cb 0.05 0.09 -0.04 0.00 -1.21 0.00 0.00 43.02 41.92 2dic s PHE 32 CO 0.16 -0.35 0.73 0.99 -1.34 0.00 0.00 175.22 175.41 2dic s THR 33 N -1.10 5.02 -0.25 -4.49 2.01 0.95 -3.78 115.64 113.99 2dic s THR 33 Ca -0.12 1.50 0.02 0.00 0.31 0.00 0.00 61.69 63.41 2dic s THR 33 Cb -0.05 -4.07 0.06 0.00 0.01 0.00 0.00 72.50 68.46 2dic s THR 33 CO 0.03 0.25 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.46 2dic s VAL 34 N 0.77 1.84 -0.48 3.82 1.01 -0.91 -1.70 120.40 124.75 2dic s VAL 34 Ca 0.39 -1.47 -0.19 0.00 0.00 0.00 0.00 61.98 60.71 2dic s VAL 34 Cb -0.18 -2.06 0.05 0.00 0.00 0.00 0.00 36.38 34.19 2dic s VAL 34 CO 0.19 -0.11 0.59 -0.69 0.00 0.00 0.00 175.10 175.08 2dic s VAL 35 N 1.24 4.92 -0.77 2.92 1.01 -1.17 -1.39 120.40 127.16 2dic s VAL 35 Ca -0.06 -0.42 -0.02 0.00 0.00 0.00 0.00 61.98 61.48 2dic s VAL 35 Cb -0.19 -4.24 0.36 0.00 0.00 0.00 0.00 36.38 32.31 2dic s VAL 35 CO -0.06 -0.71 2.06 0.35 0.00 0.00 0.00 175.10 176.74 2dic n THR 36 N 5.60 3.59 -3.07 3.92 -2.24 -1.26 -3.09 114.28 117.73 2dic n THR 36 Ca -0.06 -3.82 -0.45 0.00 -2.27 0.00 0.00 64.05 57.45 2dic n THR 36 Cb 0.46 -1.23 -0.03 0.00 -2.10 0.00 0.00 70.33 67.43 2dic n THR 36 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2dic s ARG 37 N -3.88 3.43 0.00 -0.78 1.81 -1.26 -4.09 118.95 114.18 2dic s ARG 37 Ca 0.56 -1.76 0.00 0.00 -1.72 0.00 0.00 55.73 52.81 2dic s ARG 37 Cb 0.45 -4.59 0.00 0.00 -0.45 0.00 0.00 34.95 30.37 2dic s ARG 37 CO -0.29 -1.60 0.00 0.41 -0.68 0.00 0.00 175.30 173.14 2dic n GLY 38 N 5.06 2.63 0.41 -3.53 0.00 -1.26 -4.92 105.19 103.57 2dic n GLY 38 Ca 0.11 -0.58 -0.13 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.77 0.00 4.61 0.00 -1.72 -3.44 119.26 117.94 2dic h ALA 39 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2dic h ALA 39 Cb 0.00 1.05 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2dic h ALA 39 CO 0.00 -0.99 0.00 0.41 0.00 0.00 0.00 179.25 178.67 2dic n GLY 40 N -1.35 0.54 3.20 0.00 0.00 -1.26 -0.91 105.19 105.40 2dic n GLY 40 Ca -0.04 -1.38 -0.31 0.00 0.00 0.00 0.00 46.02 44.29 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 1.96 -1.68 -0.61 1.01 -1.26 -5.05 121.20 111.57 2dic s ILE 41 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 60.65 59.69 2dic s ILE 41 Cb 0.00 -1.70 0.00 0.00 0.01 0.00 0.00 42.46 40.77 2dic s ILE 41 CO 0.00 0.54 0.00 0.61 0.00 0.00 0.00 174.94 176.09 2dic n GLY 42 N 3.58 -0.85 3.29 6.18 0.00 -1.26 -4.90 105.19 111.23 2dic n GLY 42 Ca -0.19 -0.84 -0.35 0.00 0.00 0.00 0.00 46.02 44.64 2dic n GLY 42 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2dic s GLY 43 N 0.00 1.58 -0.15 -0.02 0.00 -1.26 -4.83 107.32 102.64 2dic s GLY 43 Ca 0.00 -1.16 -0.24 0.00 0.00 0.00 0.00 44.72 43.32 2dic s GLY 43 CO 0.00 0.39 0.77 -2.27 0.00 0.00 0.00 173.10 171.99 2dic s LEU 44 N 1.42 4.20 -0.39 0.66 2.96 -1.26 -0.90 118.68 125.38 2dic s LEU 44 Ca 0.05 1.12 -0.06 0.00 -0.22 0.00 0.00 54.13 55.02 2dic s LEU 44 Cb -0.14 -3.14 0.08 0.00 0.50 0.00 0.00 46.19 43.48 2dic s LEU 44 CO -0.04 -0.31 0.19 -0.83 -1.32 0.00 0.00 176.35 174.03 2dic s GLY 45 N 1.09 1.92 -0.23 7.98 0.00 0.50 -4.96 107.32 113.63 2dic s GLY 45 Ca 0.37 -2.13 -0.08 0.00 0.00 0.00 0.00 44.72 42.87 2dic s GLY 45 CO 0.14 0.92 0.09 -0.42 0.00 0.00 0.00 173.10 173.82 2dic s ILE 46 N 1.33 4.66 0.06 0.90 1.01 -1.26 -2.18 121.20 125.71 2dic s ILE 46 Ca 0.02 -0.06 0.02 0.00 0.00 0.00 0.00 60.65 60.63 2dic s ILE 46 Cb -0.22 -3.15 -0.03 0.00 0.01 0.00 0.00 42.46 39.07 2dic s ILE 46 CO 0.00 0.37 -0.08 0.42 0.00 0.00 0.00 174.94 175.66 2dic s THR 47 N 1.14 0.59 -0.05 2.92 -4.23 -0.05 -4.99 115.64 110.97 2dic s THR 47 Ca 0.05 -1.31 0.05 0.00 -1.18 0.00 0.00 61.69 59.30 2dic s THR 47 Cb -0.14 -0.90 -0.01 0.00 1.34 0.00 0.00 72.50 72.79 2dic s THR 47 CO 0.04 -0.51 -0.22 -0.69 -0.54 0.00 0.00 174.62 172.70 2dic s VAL 48 N -1.96 1.80 -0.02 2.29 1.01 -1.26 0.07 120.40 122.33 2dic s VAL 48 Ca -0.04 -0.93 0.07 0.00 0.00 0.00 0.00 61.98 61.09 2dic s VAL 48 Cb -0.06 -1.53 -0.02 0.00 0.00 0.00 0.00 36.38 34.77 2dic s VAL 48 CO -0.01 0.51 -0.24 -1.61 0.00 0.00 0.00 175.10 173.75 2dic s GLU 49 N -0.08 1.96 0.00 2.72 2.02 -1.05 -4.72 118.70 119.55 2dic s GLU 49 Ca -0.04 -0.86 -0.01 0.00 0.02 0.00 0.00 54.97 54.08 2dic s GLU 49 Cb -0.13 -1.89 0.00 0.00 0.10 0.00 0.00 34.13 32.22 2dic s GLU 49 CO 0.03 0.51 0.06 0.41 0.02 0.00 0.00 175.26 176.29 2dic n GLY 50 N 2.50 0.78 0.00 -1.39 0.00 -1.26 -1.28 105.19 104.55 2dic n GLY 50 Ca -0.16 -0.86 0.07 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.04 0.48 -3.62 1.61 -0.04 -1.26 -4.68 135.00 127.45 2dic n PRO 51 Ca 0.00 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.33 2dic n PRO 51 Cb 0.03 -1.48 -0.07 0.00 -0.04 0.00 0.00 33.50 31.94 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 -1.98 -0.66 0.28 3.54 1.04 -1.26 -4.92 113.70 109.74 2dic s SER 52 Ca 0.22 1.19 -0.30 0.00 0.48 0.00 0.00 55.95 57.54 2dic s SER 52 Cb 0.10 1.17 -0.12 0.00 0.10 0.00 0.00 66.02 67.28 2dic s SER 52 CO 0.17 -0.28 1.62 1.21 0.98 0.00 0.00 173.24 176.94 2dic n GLU 53 N 2.28 2.72 -4.45 4.02 2.13 -1.26 -4.62 120.64 121.46 2dic n GLU 53 Ca -0.14 0.97 -0.34 0.00 0.66 0.00 0.00 57.16 58.31 2dic n GLU 53 Cb 0.56 -2.77 -0.10 0.00 0.27 0.00 0.00 31.44 29.40 2dic n GLU 53 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 2dic s SER 54 N 0.61 4.95 -0.87 4.31 0.01 -1.26 -4.20 113.70 117.24 2dic s SER 54 Ca 0.66 0.03 -0.25 0.00 1.31 0.00 0.00 55.95 57.69 2dic s SER 54 Cb -0.50 -1.30 0.04 0.00 0.21 0.00 0.00 66.02 64.47 2dic s SER 54 CO 0.46 0.34 1.37 -0.54 0.41 0.00 0.00 173.24 175.28 2dic s LYS 55 N -1.05 3.35 0.17 12.44 1.02 -0.68 -4.77 119.74 130.22 2dic s LYS 55 Ca 0.15 -0.62 -0.13 0.00 0.02 0.00 0.00 55.97 55.38 2dic s LYS 55 Cb -0.11 -4.72 -0.07 0.00 -0.52 0.00 0.00 37.83 32.41 2dic s LYS 55 CO 0.04 -2.20 0.56 0.42 -0.92 0.00 0.00 175.35 173.25 2dic s ILE 56 N 5.49 4.86 -0.23 2.17 1.01 -1.26 -2.18 121.20 131.07 2dic s ILE 56 Ca 0.41 0.76 -0.03 0.00 0.00 0.00 0.00 60.65 61.79 2dic s ILE 56 Cb -0.04 -3.71 0.12 0.00 0.01 0.00 0.00 42.46 38.84 2dic s ILE 56 CO 0.04 0.16 0.34 0.20 0.00 0.00 0.00 174.94 175.68 2dic s ASN 57 N -1.88 0.47 0.45 3.58 0.01 0.80 -4.98 114.94 113.39 2dic s ASN 57 Ca 0.41 0.16 -0.20 0.00 -0.71 0.00 0.00 52.86 52.52 2dic s ASN 57 Cb -0.14 0.96 -0.10 0.00 0.41 0.00 0.00 41.25 42.38 2dic s ASN 57 CO 0.20 -0.30 0.96 0.00 -1.51 0.00 0.00 177.10 176.44 2dic s ARG 59 N -3.37 0.34 0.01 0.00 3.52 -0.48 -4.99 118.95 113.97 2dic s ARG 59 Ca 0.61 0.00 -0.30 0.00 -0.13 0.00 0.00 55.73 55.92 2dic s ARG 59 Cb -0.09 -1.33 -0.04 0.00 -1.56 0.00 0.00 34.95 31.93 2dic s ARG 59 CO 0.17 -0.47 1.02 -0.51 -0.81 0.00 0.00 175.30 174.70 2dic s ASP 60 N 2.03 7.31 -0.14 -2.12 1.11 -1.26 -2.46 116.67 121.14 2dic s ASP 60 Ca 0.03 1.73 -0.06 0.00 0.18 0.00 0.00 52.55 54.44 2dic s ASP 60 Cb -0.14 -2.57 -0.04 0.00 1.07 0.00 0.00 42.92 41.24 2dic s ASP 60 CO -0.06 -0.30 0.05 0.20 1.18 0.00 0.00 175.17 176.24 2dic s ASN 61 N 1.00 5.62 -0.16 0.27 0.01 -1.24 -4.99 114.94 115.46 2dic s ASN 61 Ca 0.53 0.16 0.01 0.00 -0.71 0.00 0.00 52.86 52.86 2dic s ASN 61 Cb -0.23 -1.83 0.21 0.00 0.41 0.00 0.00 41.25 39.80 2dic s ASN 61 CO 0.28 0.28 1.41 0.29 -1.51 0.00 0.00 177.10 177.85 2dic n LYS 62 N 2.83 1.43 0.03 -0.60 4.01 -1.26 -4.12 118.16 120.48 2dic n LYS 62 Ca -0.18 -0.99 -0.00 0.00 -0.51 0.00 0.00 58.31 56.63 2dic n LYS 62 Cb 0.53 -1.39 -0.00 0.00 -0.51 0.00 0.00 35.03 33.66 2dic n LYS 62 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 2dic n ASP 63 N 0.08 0.71 0.00 4.39 2.03 -1.26 -5.07 116.55 117.43 2dic n ASP 63 Ca 0.20 0.09 0.00 0.00 0.52 0.00 0.00 54.79 55.60 2dic n ASP 63 Cb 0.83 -0.22 0.00 0.00 -0.72 0.00 0.00 41.12 41.01 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 3.46 0.00 3.05 0.27 0.00 -1.26 -5.18 105.19 105.53 2dic n GLY 64 Ca -0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.74 -3.88 1.61 3.41 -1.26 -4.38 113.62 107.37 2dic n SER 65 Ca 0.00 -2.15 -0.13 0.00 -0.26 0.00 0.00 58.87 56.33 2dic n SER 65 Cb 0.00 2.89 -0.14 0.00 -0.26 0.00 0.00 64.21 66.70 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 0.06 3.92 -0.12 0.00 0.15 -1.03 -2.13 113.70 114.54 2dic s SER 67 Ca -0.00 -0.37 -0.03 0.00 0.70 0.00 0.00 55.95 56.25 2dic s SER 67 Cb -0.01 -0.69 0.05 0.00 -1.71 0.00 0.00 66.02 63.65 2dic s SER 67 CO -0.00 0.27 0.07 0.00 1.20 0.00 0.00 173.24 174.77 2dic s ALA 68 N -0.91 0.43 -0.12 5.45 0.00 -1.25 -1.38 121.76 123.99 2dic s ALA 68 Ca 0.15 -0.14 -0.01 0.00 0.00 0.00 0.00 51.96 51.95 2dic s ALA 68 Cb -0.11 -0.87 -0.02 0.00 0.00 0.00 0.00 23.12 22.12 2dic s ALA 68 CO 0.05 -0.85 -0.08 -1.83 0.00 0.00 0.00 175.76 173.04 2dic s GLU 69 N 2.11 3.27 0.06 0.00 -1.05 -0.95 -3.09 118.70 119.05 2dic s GLU 69 Ca 0.03 -0.60 0.03 0.00 -0.15 0.00 0.00 54.97 54.29 2dic s GLU 69 Cb -0.14 -2.70 -0.03 0.00 -0.44 0.00 0.00 34.13 30.82 2dic s GLU 69 CO -0.06 0.36 -0.09 1.52 0.95 0.00 0.00 175.26 177.93 2dic s TYR 70 N -0.01 0.86 -0.24 4.83 -0.85 -0.35 -0.14 117.35 121.45 2dic s TYR 70 Ca -0.01 -0.55 -0.03 0.00 -0.52 0.00 0.00 57.07 55.96 2dic s TYR 70 Cb -0.14 -0.50 0.08 0.00 0.38 0.00 0.00 41.96 41.78 2dic s TYR 70 CO 0.03 -0.05 0.09 0.42 -1.52 0.00 0.00 175.55 174.53 2dic s ILE 71 N -1.68 0.25 1.05 -3.49 1.01 -0.93 -1.96 121.20 115.44 2dic s ILE 71 Ca -0.04 -0.68 -0.14 0.00 0.00 0.00 0.00 60.65 59.79 2dic s ILE 71 Cb -0.08 -1.02 0.21 0.00 0.01 0.00 0.00 42.46 41.59 2dic s ILE 71 CO 0.00 -0.48 1.10 -2.16 0.00 0.00 0.00 174.94 173.40 2dic s PRO 72 N 1.96 0.04 0.00 2.79 0.04 -1.26 -1.69 135.00 136.88 2dic s PRO 72 Ca 0.05 0.38 0.00 0.00 0.04 0.00 0.00 61.00 61.47 2dic s PRO 72 Cb -0.16 -1.70 0.00 0.00 0.04 0.00 0.00 34.50 32.67 2dic s PRO 72 CO -0.21 -2.96 0.00 1.19 0.04 0.00 0.00 177.00 175.06 2dic n PHE 73 N -4.31 0.00 -3.86 0.56 3.01 -1.26 -1.79 117.46 109.80 2dic n PHE 73 Ca 0.06 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.41 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 -1.42 -0.20 0.48 4.37 0.00 -1.26 -4.82 121.76 118.91 2dic s ALA 74 Ca 0.00 0.08 -0.22 0.00 0.00 0.00 0.00 51.96 51.82 2dic s ALA 74 Cb 0.00 -0.07 -0.07 0.00 0.00 0.00 0.00 23.12 22.98 2dic s ALA 74 CO 0.00 -0.09 1.15 -1.25 0.00 0.00 0.00 175.76 175.58 2dic s PRO 75 N -0.41 3.65 0.00 0.00 0.04 -1.26 -4.77 135.00 132.26 2dic s PRO 75 Ca -0.05 1.73 0.00 0.00 0.04 0.00 0.00 61.00 62.72 2dic s PRO 75 Cb -0.03 -2.30 0.00 0.00 0.04 0.00 0.00 34.50 32.21 2dic s PRO 75 CO 0.00 -0.63 0.00 0.41 0.04 0.00 0.00 177.00 176.82 2dic n GLY 76 N 0.37 -0.71 3.44 0.56 0.00 -0.60 -4.89 105.19 103.36 2dic n GLY 76 Ca 0.08 -1.26 -0.43 0.00 0.00 0.00 0.00 46.02 44.41 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 6.11 0.35 1.61 -4.77 -1.26 -1.51 116.67 113.20 2dic s ASP 77 Ca 0.00 -0.99 0.05 0.00 -3.30 0.00 0.00 52.55 48.31 2dic s ASP 77 Cb 0.00 -2.16 -0.01 0.00 -1.09 0.00 0.00 42.92 39.66 2dic s ASP 77 CO 0.00 -0.49 0.50 -0.31 0.70 0.00 0.00 175.17 175.57 2dic s TYR 78 N 1.67 3.15 -0.21 2.11 1.51 -1.17 -4.71 117.35 119.71 2dic s TYR 78 Ca 0.05 -0.13 -0.02 0.00 -1.01 0.00 0.00 57.07 55.96 2dic s TYR 78 Cb -0.20 -2.03 0.06 0.00 -0.11 0.00 0.00 41.96 39.68 2dic s TYR 78 CO 0.09 -0.05 0.01 -0.51 -1.11 0.00 0.00 175.55 173.98 2dic s ASP 79 N -4.17 3.21 -0.57 2.29 1.11 -0.40 -2.51 116.67 115.63 2dic s ASP 79 Ca 0.45 -0.94 -0.28 0.00 0.18 0.00 0.00 52.55 51.96 2dic s ASP 79 Cb -0.10 -0.78 0.03 0.00 1.07 0.00 0.00 42.92 43.15 2dic s ASP 79 CO 0.32 -0.29 1.16 -0.69 1.18 0.00 0.00 175.17 176.86 2dic s VAL 80 N 1.71 4.08 -0.14 -1.27 1.01 -1.00 -2.53 120.40 122.25 2dic s VAL 80 Ca -0.02 0.87 -0.19 0.00 0.00 0.00 0.00 61.98 62.64 2dic s VAL 80 Cb -0.18 -4.69 -0.04 0.00 0.00 0.00 0.00 36.38 31.47 2dic s VAL 80 CO -0.07 -1.28 0.52 0.20 0.00 0.00 0.00 175.10 174.46 2dic s ASN 81 N 2.89 6.67 -0.11 3.32 0.01 0.11 -1.84 114.94 125.99 2dic s ASN 81 Ca 0.42 0.80 -0.01 0.00 -0.71 0.00 0.00 52.86 53.36 2dic s ASN 81 Cb -0.08 -2.30 0.04 0.00 0.41 0.00 0.00 41.25 39.31 2dic s ASN 81 CO 0.25 -0.08 -0.01 -0.63 -1.51 0.00 0.00 177.10 175.13 2dic s ILE 82 N 1.03 0.56 -0.04 0.60 1.01 -1.26 -0.87 121.20 122.23 2dic s ILE 82 Ca 0.26 -0.15 0.04 0.00 0.00 0.00 0.00 60.65 60.81 2dic s ILE 82 Cb -0.15 -0.78 -0.00 0.00 0.01 0.00 0.00 42.46 41.53 2dic s ILE 82 CO 0.11 0.16 -0.17 0.42 0.00 0.00 0.00 174.94 175.46 2dic s THR 83 N 1.88 1.44 -0.37 2.92 -4.23 -0.93 -2.54 115.64 113.81 2dic s THR 83 Ca 0.03 -0.73 -0.11 0.00 -1.18 0.00 0.00 61.69 59.71 2dic s THR 83 Cb -0.14 -1.23 0.02 0.00 1.34 0.00 0.00 72.50 72.49 2dic s THR 83 CO -0.06 0.41 0.21 -0.47 -0.54 0.00 0.00 174.62 174.17 2dic s TYR 84 N 0.00 3.24 0.00 3.99 5.04 -0.21 -0.37 117.35 129.04 2dic s TYR 84 Ca -0.03 -0.92 0.00 0.00 -2.44 0.00 0.00 57.07 53.68 2dic s TYR 84 Cb -0.11 -2.44 0.00 0.00 0.35 0.00 0.00 41.96 39.76 2dic s TYR 84 CO 0.02 -0.63 0.00 0.41 -1.34 0.00 0.00 175.55 174.01 2dic n GLY 85 N 5.00 1.52 0.46 8.97 0.00 -0.08 -2.82 105.19 118.25 2dic n GLY 85 Ca -0.12 -0.01 -0.01 0.00 0.00 0.00 0.00 46.02 45.88 2dic n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dic n GLY 86 N 0.00 0.67 3.25 -0.02 0.00 -1.26 -4.71 105.19 103.13 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 1.41 -0.16 4.61 0.00 -1.13 -5.14 121.76 121.34 2dic s ALA 87 Ca 0.00 -1.68 -0.08 0.00 0.00 0.00 0.00 51.96 50.20 2dic s ALA 87 Cb 0.00 0.83 -0.04 0.00 0.00 0.00 0.00 23.12 23.90 2dic s ALA 87 CO 0.00 -0.41 0.10 -1.01 0.00 0.00 0.00 175.76 174.45 2dic s HIS 88 N -3.78 3.40 0.51 0.00 0.09 -1.26 -1.04 115.29 113.21 2dic s HIS 88 Ca 0.30 0.31 -0.19 0.00 -0.00 0.00 0.00 55.06 55.48 2dic s HIS 88 Cb 0.07 -2.05 -0.07 0.00 -0.00 0.00 0.00 32.58 30.53 2dic s HIS 88 CO 0.08 0.40 1.04 0.96 -0.00 0.00 0.00 174.74 177.22 2dic s ILE 89 N -0.13 3.79 -0.88 0.60 -4.36 -1.05 -4.86 121.20 114.30 2dic s ILE 89 Ca 0.09 1.04 -0.25 0.00 -0.26 0.00 0.00 60.65 61.27 2dic s ILE 89 Cb -0.12 -3.43 -0.05 0.00 1.25 0.00 0.00 42.46 40.11 2dic s ILE 89 CO 0.01 -0.31 1.94 -2.16 0.24 0.00 0.00 174.94 174.65 2dic s PRO 90 N -3.46 2.56 0.00 0.37 0.04 -1.26 -2.68 135.00 130.57 2dic s PRO 90 Ca 0.66 -0.22 0.00 0.00 0.04 0.00 0.00 61.00 61.49 2dic s PRO 90 Cb -0.16 -5.01 0.00 0.00 0.04 0.00 0.00 34.50 29.37 2dic s PRO 90 CO 0.25 -3.33 0.00 0.41 0.04 0.00 0.00 177.00 174.37 2dic n GLY 91 N 6.76 0.28 3.82 0.56 0.00 -1.26 -5.02 105.19 110.33 2dic n GLY 91 Ca 0.39 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.13 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 5.69 0.44 1.61 0.15 -1.09 -3.63 113.70 116.86 2dic s SER 92 Ca 0.00 -0.02 -0.24 0.00 0.70 0.00 0.00 55.95 56.39 2dic s SER 92 Cb 0.00 -1.55 -0.08 0.00 -1.71 0.00 0.00 66.02 62.68 2dic s SER 92 CO 0.00 0.11 1.17 -2.16 1.20 0.00 0.00 173.24 173.56 2dic s PRO 93 N -2.86 3.86 -0.39 5.44 0.04 -1.26 -4.89 135.00 134.94 2dic s PRO 93 Ca 0.31 1.81 -0.17 0.00 0.04 0.00 0.00 61.00 62.99 2dic s PRO 93 Cb -0.11 -2.50 0.01 0.00 0.04 0.00 0.00 34.50 31.93 2dic s PRO 93 CO 0.24 -0.48 0.46 -0.06 0.04 0.00 0.00 177.00 177.20 2dic s PHE 94 N -1.49 3.17 0.11 0.56 0.40 -0.77 -4.77 117.98 115.18 2dic s PHE 94 Ca 0.61 -0.14 -0.31 0.00 -0.60 0.00 0.00 56.93 56.49 2dic s PHE 94 Cb -0.30 -2.91 -0.09 0.00 0.51 0.00 0.00 43.02 40.23 2dic s PHE 94 CO 0.36 -0.63 1.66 0.50 0.70 0.00 0.00 175.22 177.82 2dic s ARG 95 N 2.25 4.19 -0.20 0.44 6.06 -1.26 -2.37 118.95 128.05 2dic s ARG 95 Ca 0.15 2.40 -0.01 0.00 -2.50 0.00 0.00 55.73 55.77 2dic s ARG 95 Cb -0.16 -3.46 0.05 0.00 0.06 0.00 0.00 34.95 31.45 2dic s ARG 95 CO 0.14 -0.72 -0.02 0.08 -2.50 0.00 0.00 175.30 172.28 2dic s VAL 96 N 2.19 1.06 -0.59 7.11 1.01 -1.04 -4.84 120.40 125.29 2dic s VAL 96 Ca 0.74 -0.82 -0.27 0.00 0.00 0.00 0.00 61.98 61.63 2dic s VAL 96 Cb -0.42 -1.38 -0.02 0.00 0.00 0.00 0.00 36.38 34.55 2dic s VAL 96 CO 0.33 -0.07 1.85 -2.16 0.00 0.00 0.00 175.10 175.04 2dic s PRO 97 N 1.62 2.69 -0.48 2.72 0.04 -1.26 -3.03 135.00 137.31 2dic s PRO 97 Ca -0.02 0.67 -0.23 0.00 0.04 0.00 0.00 61.00 61.46 2dic s PRO 97 Cb -0.17 -4.37 0.03 0.00 0.04 0.00 0.00 34.50 30.03 2dic s PRO 97 CO -0.07 -2.65 0.81 0.08 0.04 0.00 0.00 177.00 175.21 2dic s VAL 98 N 8.86 4.60 0.40 -0.36 1.01 -0.57 -3.41 120.40 130.93 2dic s VAL 98 Ca 0.68 0.30 -0.00 0.00 0.00 0.00 0.00 61.98 62.95 2dic s VAL 98 Cb -0.13 -4.38 -0.02 0.00 0.00 0.00 0.00 36.38 31.85 2dic s VAL 98 CO 0.22 -0.83 0.63 -0.54 0.00 0.00 0.00 175.10 174.57 2dic s LYS 99 N 3.40 3.36 -0.22 2.72 1.02 -1.19 -1.56 119.74 127.27 2dic s LYS 99 Ca 0.29 -0.30 -0.13 0.00 0.02 0.00 0.00 55.97 55.85 2dic s LYS 99 Cb -0.13 -2.58 -0.05 0.00 -0.52 0.00 0.00 37.83 34.55 2dic s LYS 99 CO 0.21 -0.04 0.25 0.16 -0.92 0.00 0.00 175.35 175.01 2dic s ASP 100 N -4.11 6.26 0.33 2.83 -4.77 -1.26 -1.45 116.67 114.50 2dic s ASP 100 Ca 0.44 0.29 0.10 0.00 -3.30 0.00 0.00 52.55 50.08 2dic s ASP 100 Cb -0.10 -2.16 0.99 0.00 -1.09 0.00 0.00 42.92 40.57 2dic s ASP 100 CO 0.38 0.02 1.62 0.58 0.70 0.00 0.00 175.17 178.48 2dic h VAL 101 N 4.98 0.18 -3.91 2.11 2.07 -1.97 -3.38 116.25 116.33 2dic h VAL 101 Ca -0.38 -0.05 -0.47 0.00 0.82 0.00 0.00 66.70 66.62 2dic h VAL 101 Cb 1.17 0.01 -0.31 0.00 -1.52 0.00 0.00 31.29 30.64 2dic h VAL 101 CO 0.69 0.03 -0.80 0.54 0.02 0.00 0.00 177.57 178.05 2dic s VAL 102 N -5.76 0.99 0.06 2.57 0.11 -1.26 -5.15 120.40 111.97 2dic s VAL 102 Ca -0.11 -0.49 0.09 0.00 -2.93 0.00 0.00 61.98 58.55 2dic s VAL 102 Cb 0.30 -0.86 -0.03 0.00 -1.53 0.00 0.00 36.38 34.25 2dic s VAL 102 CO 0.78 0.30 -0.26 1.51 -3.33 0.00 0.00 175.10 174.10 2dic s ASP 103 N 0.05 3.10 0.74 3.54 -4.77 -1.26 -5.13 116.67 112.94 2dic s ASP 103 Ca -0.02 -0.62 -0.12 0.00 -3.30 0.00 0.00 52.55 48.49 2dic s ASP 103 Cb -0.09 -0.26 0.04 0.00 -1.09 0.00 0.00 42.92 41.52 2dic s ASP 103 CO 0.01 0.23 1.10 -2.16 0.70 0.00 0.00 175.17 175.04 2dic s PRO 104 N -1.42 2.43 0.00 2.11 0.04 -1.26 -5.22 135.00 131.68 2dic s PRO 104 Ca 0.12 1.24 0.31 0.00 0.04 0.00 0.00 61.00 62.70 2dic s PRO 104 Cb -0.10 -1.91 1.83 0.00 0.04 0.00 0.00 34.50 34.36 2dic s PRO 104 CO 0.03 -1.52 2.16 -1.13 0.04 0.00 0.00 177.00 176.58