#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dkr s SER 2 N 0.00 -0.15 0.28 1.61 0.15 -1.26 -5.16 113.70 109.18 2dkr s SER 2 Ca 0.00 0.42 -0.20 0.00 0.70 0.00 0.00 55.95 56.87 2dkr s SER 2 Cb 0.00 0.31 0.05 0.00 -1.71 0.00 0.00 66.02 64.67 2dkr s SER 2 CO 0.00 -0.16 0.83 -0.44 1.20 0.00 0.00 173.24 174.67 2dkr s SER 3 N 1.28 -0.12 0.00 5.45 0.01 -1.26 -5.17 113.70 113.90 2dkr s SER 3 Ca -0.09 -0.77 0.00 0.00 1.31 0.00 0.00 55.95 56.40 2dkr s SER 3 Cb -0.11 0.70 0.00 0.00 0.21 0.00 0.00 66.02 66.82 2dkr s SER 3 CO -0.07 -1.35 0.00 0.61 0.41 0.00 0.00 173.24 172.84 2dkr n GLY 4 N -0.52 2.00 3.28 3.44 0.00 -1.26 -5.13 105.19 107.00 2dkr n GLY 4 Ca -0.06 0.38 -0.37 0.00 0.00 0.00 0.00 46.02 45.98 2dkr n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dkr s SER 5 N 0.00 5.03 0.23 1.61 0.15 -1.26 -5.00 113.70 114.47 2dkr s SER 5 Ca 0.00 -0.91 -0.18 0.00 0.70 0.00 0.00 55.95 55.56 2dkr s SER 5 Cb 0.00 -1.83 0.24 0.00 -1.71 0.00 0.00 66.02 62.72 2dkr s SER 5 CO 0.00 -0.23 1.55 0.77 1.20 0.00 0.00 173.24 176.54 2dkr h SER 6 N 8.17 -1.41 0.00 5.45 4.64 -2.01 -3.44 113.55 124.95 2dkr h SER 6 Ca -0.28 0.31 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2dkr h SER 6 Cb 1.10 0.75 0.00 0.00 -0.31 0.00 0.00 62.40 63.94 2dkr h SER 6 CO 0.59 -0.29 0.00 0.61 -0.87 0.00 0.00 176.83 176.87 2dkr n GLY 7 N -1.47 -0.02 3.75 -0.77 0.00 -0.94 -3.57 105.19 102.16 2dkr n GLY 7 Ca 0.10 0.29 -0.40 0.00 0.00 0.00 0.00 46.02 46.00 2dkr n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dkr s VAL 8 N 0.00 4.51 -0.32 1.61 0.11 -1.26 -1.20 120.40 123.85 2dkr s VAL 8 Ca 0.00 1.84 0.03 0.00 -2.93 0.00 0.00 61.98 60.93 2dkr s VAL 8 Cb 0.00 -4.21 0.09 0.00 -1.53 0.00 0.00 36.38 30.73 2dkr s VAL 8 CO 0.00 0.40 0.02 -0.69 -3.33 0.00 0.00 175.10 171.50 2dkr s VAL 9 N -0.38 2.10 -0.50 2.04 1.01 -0.07 -4.95 120.40 119.65 2dkr s VAL 9 Ca 0.41 -2.10 -0.20 0.00 0.00 0.00 0.00 61.98 60.09 2dkr s VAL 9 Cb -0.23 -2.49 0.05 0.00 0.00 0.00 0.00 36.38 33.71 2dkr s VAL 9 CO 0.27 -0.50 0.66 -0.70 0.00 0.00 0.00 175.10 174.83 2dkr s GLU 10 N 1.02 3.17 0.19 2.72 -6.30 -1.26 -1.59 118.70 116.65 2dkr s GLU 10 Ca 0.07 -0.74 0.08 0.00 -2.50 0.00 0.00 54.97 51.89 2dkr s GLU 10 Cb -0.19 -4.07 -0.04 0.00 0.00 0.00 0.00 34.13 29.83 2dkr s GLU 10 CO -0.09 -1.21 -0.03 -0.51 0.02 0.00 0.00 175.26 173.43 2dkr s LEU 11 N 2.80 3.17 0.14 2.70 1.43 -0.97 -4.93 118.68 123.03 2dkr s LEU 11 Ca 0.18 -0.51 -0.31 0.00 -1.03 0.00 0.00 54.13 52.46 2dkr s LEU 11 Cb -0.18 -1.81 -0.08 0.00 0.03 0.00 0.00 46.19 44.16 2dkr s LEU 11 CO 0.14 0.08 1.34 -2.16 0.23 0.00 0.00 176.35 175.98 2dkr s PRO 12 N -3.04 4.36 -0.40 1.29 0.04 -1.26 -1.01 135.00 134.98 2dkr s PRO 12 Ca 0.27 2.04 -0.17 0.00 0.04 0.00 0.00 61.00 63.18 2dkr s PRO 12 Cb -0.09 -3.23 0.01 0.00 0.04 0.00 0.00 34.50 31.23 2dkr s PRO 12 CO 0.18 -0.35 0.42 0.21 0.04 0.00 0.00 177.00 177.50 2dkr s LYS 13 N 0.61 3.23 0.00 4.56 2.47 0.48 -4.83 119.74 126.27 2dkr s LYS 13 Ca 0.61 -0.65 -0.28 0.00 -1.56 0.00 0.00 55.97 54.08 2dkr s LYS 13 Cb -0.36 -3.92 0.10 0.00 -1.46 0.00 0.00 37.83 32.19 2dkr s LYS 13 CO 0.33 -0.77 0.86 -0.08 0.16 0.00 0.00 175.35 175.85 2dkr s THR 14 N 2.12 0.00 0.38 3.43 -1.32 -1.26 -4.02 115.64 114.97 2dkr s THR 14 Ca 0.12 0.00 0.25 0.00 -1.21 0.00 0.00 61.69 60.85 2dkr s THR 14 Cb -0.17 -1.00 0.40 0.00 -1.51 0.00 0.00 72.50 70.22 2dkr s THR 14 CO 0.13 0.00 1.48 -0.90 -2.21 0.00 0.00 174.62 173.13 2dkr n ASP 15 N -0.17 0.27 -0.34 8.08 5.75 -1.26 0.28 116.55 129.16 2dkr n ASP 15 Ca -0.10 1.45 0.20 0.00 -0.01 0.00 0.00 54.79 56.33 2dkr n ASP 15 Cb 0.62 -0.71 0.39 0.00 -1.03 0.00 0.00 41.12 40.38 2dkr n ASP 15 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 2dkr h GLU 16 N 0.00 0.01 0.00 0.11 5.08 -1.96 -3.47 114.58 114.36 2dkr h GLU 16 Ca 0.82 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.18 2dkr h GLU 16 Cb 2.38 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.63 2dkr h GLU 16 CO -0.59 0.01 0.00 0.41 -1.00 0.00 0.00 179.01 177.83 2dkr n GLY 17 N -1.42 0.97 0.13 -3.84 0.00 0.14 -4.89 105.19 96.28 2dkr n GLY 17 Ca 0.28 -2.00 -0.25 0.00 0.00 0.00 0.00 46.02 44.05 2dkr n GLY 17 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dkr n LEU 18 N -0.11 2.25 -0.00 0.99 7.99 -1.26 -4.59 117.00 122.27 2dkr n LEU 18 Ca 0.00 0.22 0.00 0.00 -0.01 0.00 0.00 56.01 56.22 2dkr n LEU 18 Cb 0.00 -0.89 0.00 0.00 -0.11 0.00 0.00 43.42 42.42 2dkr n LEU 18 CO 0.00 0.65 0.00 0.61 -1.51 0.00 0.00 177.39 177.14 2dkr n GLY 19 N 1.59 1.25 3.05 -0.72 0.00 -1.26 0.14 105.19 109.23 2dkr n GLY 19 Ca -0.48 -0.01 -0.11 0.00 0.00 0.00 0.00 46.02 45.42 2dkr n GLY 19 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2dkr s PHE 20 N -2.01 0.00 -0.05 1.61 -0.71 -1.26 -0.51 117.98 115.05 2dkr s PHE 20 Ca 0.00 -0.00 0.06 0.00 -1.04 0.00 0.00 56.93 55.94 2dkr s PHE 20 Cb 0.00 -0.03 -0.02 0.00 -1.21 0.00 0.00 43.02 41.76 2dkr s PHE 20 CO 0.00 -0.18 -0.22 -0.80 -1.34 0.00 0.00 175.22 172.67 2dkr s ASN 21 N -0.81 3.31 0.06 1.98 0.01 0.97 -4.99 114.94 115.48 2dkr s ASN 21 Ca -0.09 -0.43 0.08 0.00 -0.71 0.00 0.00 52.86 51.72 2dkr s ASN 21 Cb -0.05 -0.77 -0.03 0.00 0.41 0.00 0.00 41.25 40.81 2dkr s ASN 21 CO 0.01 0.28 -0.23 0.27 -1.51 0.00 0.00 177.10 175.91 2dkr s ILE 22 N -0.34 1.90 0.03 0.60 -4.36 -1.26 -0.36 121.20 117.40 2dkr s ILE 22 Ca 0.02 -1.34 0.02 0.00 -0.26 0.00 0.00 60.65 59.09 2dkr s ILE 22 Cb -0.12 -1.65 -0.02 0.00 1.25 0.00 0.00 42.46 41.92 2dkr s ILE 22 CO 0.02 0.24 -0.07 0.00 0.24 0.00 0.00 174.94 175.36 2dkr s MET 23 N -1.33 0.53 0.00 0.37 0.23 -1.21 -4.88 119.30 113.01 2dkr s MET 23 Ca 0.10 -0.55 0.00 0.00 -1.03 0.00 0.00 55.69 54.20 2dkr s MET 23 Cb -0.09 -0.39 0.00 0.00 -1.53 0.00 0.00 34.83 32.81 2dkr s MET 23 CO 0.02 0.09 0.00 0.41 -2.03 0.00 0.00 175.02 173.51 2dkr n GLY 24 N 2.03 2.33 0.00 3.16 0.00 -1.26 -4.02 105.19 107.43 2dkr n GLY 24 Ca -0.19 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 43.91 2dkr n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dkr n GLY 25 N 1.54 -0.09 0.02 -0.02 0.00 -1.22 -4.58 105.19 100.84 2dkr n GLY 25 Ca 0.00 0.56 -0.01 0.00 0.00 0.00 0.00 46.02 46.57 2dkr n GLY 25 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2dkr n LYS 26 N 0.00 0.12 -0.32 1.61 4.81 -1.26 -3.35 118.16 119.77 2dkr n LYS 26 Ca 0.00 0.27 0.18 0.00 -0.87 0.00 0.00 58.31 57.89 2dkr n LYS 26 Cb 0.00 -0.94 0.38 0.00 0.02 0.00 0.00 35.03 34.49 2dkr n LYS 26 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 2dkr h GLU 27 N -0.26 0.32 0.00 1.64 3.07 -1.97 1.21 114.58 118.60 2dkr h GLU 27 Ca 0.00 -0.02 -0.06 0.00 -0.50 0.00 0.00 59.36 58.78 2dkr h GLU 27 Cb 0.15 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 27.98 2dkr h GLU 27 CO 0.00 0.21 -0.31 1.96 -1.40 0.00 0.00 179.01 179.48 2dkr h GLN 28 N 0.33 0.00 -3.66 2.33 1.08 -1.95 -3.46 115.11 109.78 2dkr h GLN 28 Ca 0.65 0.00 -0.35 0.00 -1.45 0.00 0.00 58.65 57.50 2dkr h GLN 28 Cb 1.36 0.00 0.04 0.00 -0.05 0.00 0.00 27.48 28.84 2dkr h GLN 28 CO -0.59 0.31 -0.51 -1.71 -0.95 0.00 0.00 178.83 175.37 2dkr n ASN 29 N -3.63 -5.42 -4.27 1.46 2.85 0.42 -4.92 115.26 101.75 2dkr n ASN 29 Ca -0.01 -0.21 -0.18 0.00 -0.11 0.00 0.00 54.58 54.08 2dkr n ASN 29 Cb 0.43 -4.29 -0.11 0.00 1.24 0.00 0.00 39.78 37.05 2dkr n ASN 29 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 2dkr s SER 30 N -2.67 2.13 0.27 1.20 1.04 -1.21 -5.02 113.70 109.43 2dkr s SER 30 Ca 0.22 -0.90 -0.29 0.00 0.48 0.00 0.00 55.95 55.45 2dkr s SER 30 Cb -0.10 -0.08 -0.09 0.00 0.10 0.00 0.00 66.02 65.85 2dkr s SER 30 CO 0.27 -0.18 1.26 -2.16 0.98 0.00 0.00 173.24 173.41 2dkr s PRO 31 N -3.12 4.44 0.01 4.02 0.04 -1.26 -3.43 135.00 135.70 2dkr s PRO 31 Ca 0.14 2.05 -0.30 0.00 0.04 0.00 0.00 61.00 62.93 2dkr s PRO 31 Cb -0.02 -3.15 -0.05 0.00 0.04 0.00 0.00 34.50 31.32 2dkr s PRO 31 CO 0.04 -0.12 1.26 0.42 0.04 0.00 0.00 177.00 178.64 2dkr s ILE 32 N -0.65 3.99 0.17 0.56 1.01 -1.26 -4.82 121.20 120.20 2dkr s ILE 32 Ca 0.51 1.38 -0.16 0.00 0.00 0.00 0.00 60.65 62.38 2dkr s ILE 32 Cb -0.37 -3.89 0.03 0.00 0.01 0.00 0.00 42.46 38.24 2dkr s ILE 32 CO 0.44 0.04 0.46 -0.72 0.00 0.00 0.00 174.94 175.17 2dkr s TYR 33 N 1.78 -0.08 -0.25 3.97 -0.85 -1.26 0.26 117.35 120.93 2dkr s TYR 33 Ca 0.59 -0.26 -0.29 0.00 -0.52 0.00 0.00 57.07 56.59 2dkr s TYR 33 Cb -0.29 0.30 -0.02 0.00 0.38 0.00 0.00 41.96 42.33 2dkr s TYR 33 CO 0.26 -0.84 1.63 0.42 -1.52 0.00 0.00 175.55 175.51 2dkr s ILE 34 N -3.87 3.67 -0.05 -3.49 -1.09 -0.19 -3.32 121.20 112.87 2dkr s ILE 34 Ca 0.09 0.75 -0.19 0.00 -2.23 0.00 0.00 60.65 59.06 2dkr s ILE 34 Cb 0.00 -3.73 -0.31 0.00 -1.58 0.00 0.00 42.46 36.84 2dkr s ILE 34 CO -0.05 -0.34 0.81 0.77 -1.23 0.00 0.00 174.94 174.90 2dkr h SER 35 N 11.07 0.52 -3.87 3.58 4.64 -1.04 0.61 113.55 129.06 2dkr h SER 35 Ca -0.33 -0.92 -0.15 0.00 -0.47 0.00 0.00 61.79 59.92 2dkr h SER 35 Cb 1.15 -0.17 -0.25 0.00 -0.31 0.00 0.00 62.40 62.82 2dkr h SER 35 CO 1.01 1.53 -0.36 -0.60 -0.87 0.00 0.00 176.83 177.54 2dkr s ARG 36 N -2.48 0.36 -0.07 4.77 3.52 -1.13 -4.84 118.95 119.08 2dkr s ARG 36 Ca -0.15 0.40 0.04 0.00 -0.13 0.00 0.00 55.73 55.89 2dkr s ARG 36 Cb 0.03 0.18 -0.02 0.00 -1.56 0.00 0.00 34.95 33.57 2dkr s ARG 36 CO 0.84 -0.05 -0.18 0.08 -0.81 0.00 0.00 175.30 175.18 2dkr s VAL 37 N 0.12 2.68 0.04 7.11 1.01 -1.26 -0.02 120.40 130.09 2dkr s VAL 37 Ca -0.00 -0.84 -0.30 0.00 0.00 0.00 0.00 61.98 60.84 2dkr s VAL 37 Cb -0.02 -2.05 -0.07 0.00 0.00 0.00 0.00 36.38 34.24 2dkr s VAL 37 CO 0.01 0.57 1.61 -0.63 0.00 0.00 0.00 175.10 176.65 2dkr s ILE 38 N -0.22 3.23 -2.00 2.22 -1.09 0.33 -4.86 121.20 118.80 2dkr s ILE 38 Ca -0.00 0.62 0.08 0.00 -2.23 0.00 0.00 60.65 59.12 2dkr s ILE 38 Cb -0.13 -3.40 0.24 0.00 -1.58 0.00 0.00 42.46 37.59 2dkr s ILE 38 CO 0.03 -0.01 0.94 -0.81 -1.23 0.00 0.00 174.94 173.87 2dkr n PRO 39 N 5.75 0.49 -2.69 2.79 -0.04 -1.26 -3.13 135.00 136.91 2dkr n PRO 39 Ca 0.16 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.60 2dkr n PRO 39 Cb 0.41 -1.27 0.12 0.00 -0.04 0.00 0.00 33.50 32.73 2dkr n PRO 39 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2dkr n GLY 40 N -0.02 2.01 0.00 0.55 0.00 -1.26 -5.01 105.19 101.45 2dkr n GLY 40 Ca 0.06 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.82 2dkr n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dkr n GLY 41 N -1.43 4.66 0.14 -0.02 0.00 -1.18 -5.02 105.19 102.35 2dkr n GLY 41 Ca -0.15 -2.03 -0.24 0.00 0.00 0.00 0.00 46.02 43.61 2dkr n GLY 41 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2dkr h VAL 42 N 0.00 1.15 -0.74 1.61 2.07 -0.96 -3.17 116.25 116.21 2dkr h VAL 42 Ca 0.00 -2.59 -0.02 0.00 0.82 0.00 0.00 66.70 64.90 2dkr h VAL 42 Cb 0.00 2.93 -0.03 0.00 -1.52 0.00 0.00 31.29 32.67 2dkr h VAL 42 CO 0.00 0.81 0.37 0.00 0.02 0.00 0.00 177.57 178.77 2dkr h ALA 43 N 0.11 0.95 0.34 1.67 0.00 -0.57 -0.38 119.26 121.39 2dkr h ALA 43 Ca -0.29 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 2dkr h ALA 43 Cb 2.07 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.57 2dkr h ALA 43 CO 0.22 0.50 -0.16 0.22 0.00 0.00 0.00 179.25 180.03 2dkr h ASP 44 N 1.04 -0.39 -0.37 0.00 3.58 -1.77 -1.92 116.42 116.59 2dkr h ASP 44 Ca 0.26 -0.05 0.02 0.00 0.42 0.00 0.00 57.03 57.68 2dkr h ASP 44 Cb 0.10 0.10 -0.03 0.00 1.72 0.00 0.00 39.33 41.22 2dkr h ASP 44 CO -0.03 -0.19 0.20 0.03 -2.88 0.00 0.00 179.24 176.36 2dkr h ARG 45 N -0.56 0.39 0.03 0.28 3.08 -1.50 -2.95 114.38 113.14 2dkr h ARG 45 Ca -0.05 -0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.01 2dkr h ARG 45 Cb 0.42 -0.09 -0.05 0.00 0.08 0.00 0.00 29.97 30.33 2dkr h ARG 45 CO 0.08 0.26 -0.37 1.25 -1.07 0.00 0.00 179.97 180.11 2dkr h HIS 46 N 0.40 -1.04 -0.75 3.04 2.76 -0.99 -3.48 115.15 115.08 2dkr h HIS 46 Ca 0.15 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.36 2dkr h HIS 46 Cb 0.05 0.45 0.00 0.00 1.55 0.00 0.00 27.41 29.46 2dkr h HIS 46 CO -0.09 -0.46 0.00 0.41 -1.30 0.00 0.00 177.93 176.48 2dkr n GLY 47 N -1.44 0.63 0.00 5.26 0.00 -0.73 -5.03 105.19 103.89 2dkr n GLY 47 Ca -0.06 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.64 2dkr n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dkr n GLY 48 N -0.38 0.02 3.57 -0.02 0.00 -1.25 -5.07 105.19 102.06 2dkr n GLY 48 Ca 0.00 -0.01 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 2dkr n GLY 48 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dkr s LEU 49 N -1.65 3.80 0.11 0.99 1.43 -1.26 -4.98 118.68 117.13 2dkr s LEU 49 Ca 0.00 -0.02 0.03 0.00 -1.03 0.00 0.00 54.13 53.11 2dkr s LEU 49 Cb 0.00 -2.01 -0.04 0.00 0.03 0.00 0.00 46.19 44.17 2dkr s LEU 49 CO 0.00 0.04 -0.09 -0.54 0.23 0.00 0.00 176.35 176.00 2dkr s LYS 50 N 1.16 0.90 0.01 1.70 1.02 -1.26 -4.67 119.74 118.60 2dkr s LYS 50 Ca 0.06 -1.32 -0.30 0.00 0.02 0.00 0.00 55.97 54.43 2dkr s LYS 50 Cb -0.14 -0.42 -0.08 0.00 -0.52 0.00 0.00 37.83 36.68 2dkr s LYS 50 CO 0.04 0.04 1.79 0.50 -0.92 0.00 0.00 175.35 176.80 2dkr s ARG 51 N -3.51 4.17 0.00 1.68 3.52 -1.26 -2.57 118.95 120.98 2dkr s ARG 51 Ca 0.11 2.40 0.00 0.00 -0.13 0.00 0.00 55.73 58.11 2dkr s ARG 51 Cb 0.02 -3.98 0.00 0.00 -1.56 0.00 0.00 34.95 29.43 2dkr s ARG 51 CO -0.02 -0.87 0.00 0.41 -0.81 0.00 0.00 175.30 174.01 2dkr n GLY 52 N 4.28 2.01 3.63 8.12 0.00 0.20 -4.96 105.19 118.47 2dkr n GLY 52 Ca 0.18 -0.65 -0.46 0.00 0.00 0.00 0.00 46.02 45.09 2dkr n GLY 52 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2dkr n ASP 53 N 0.00 2.08 -4.58 1.61 8.00 -1.06 -4.54 116.55 118.06 2dkr n ASP 53 Ca 0.00 1.15 -0.40 0.00 0.71 0.00 0.00 54.79 56.25 2dkr n ASP 53 Cb 0.00 -1.34 -0.09 0.00 -0.02 0.00 0.00 41.12 39.67 2dkr n ASP 53 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 2dkr s GLN 54 N -0.68 3.83 -0.11 -1.24 -0.44 -1.26 -1.02 119.66 118.73 2dkr s GLN 54 Ca 0.67 -0.14 -0.29 0.00 -2.50 0.00 0.00 55.36 53.10 2dkr s GLN 54 Cb -0.72 -3.72 -0.06 0.00 -1.64 0.00 0.00 33.01 26.88 2dkr s GLN 54 CO 0.53 -0.39 1.85 -1.17 0.50 0.00 0.00 175.29 176.61 2dkr s LEU 55 N 2.07 4.05 -0.08 3.68 2.96 0.14 -3.94 118.68 127.56 2dkr s LEU 55 Ca 0.14 2.10 -0.05 0.00 -0.22 0.00 0.00 54.13 56.10 2dkr s LEU 55 Cb -0.16 -3.53 -0.02 0.00 0.50 0.00 0.00 46.19 42.99 2dkr s LEU 55 CO 0.11 -1.28 -0.10 -0.07 -1.32 0.00 0.00 176.35 173.70 2dkr h LEU 56 N 11.78 0.00 -8.09 -0.68 3.38 -1.43 -3.40 115.31 116.87 2dkr h LEU 56 Ca -0.41 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.41 2dkr h LEU 56 Cb 1.20 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.76 2dkr h LEU 56 CO 0.97 0.42 -0.69 -0.94 0.09 0.00 0.00 178.44 178.28 2dkr s SER 57 N -4.76 0.37 -0.03 -0.43 1.04 -1.22 -1.99 113.70 106.68 2dkr s SER 57 Ca -0.08 -0.70 0.03 0.00 0.48 0.00 0.00 55.95 55.68 2dkr s SER 57 Cb 0.01 0.14 0.00 0.00 0.10 0.00 0.00 66.02 66.27 2dkr s SER 57 CO 0.12 -0.41 -0.10 -0.69 0.98 0.00 0.00 173.24 173.14 2dkr s VAL 58 N -2.43 0.82 -1.23 5.02 1.01 0.86 -1.43 120.40 123.03 2dkr s VAL 58 Ca -0.07 -0.38 -0.03 0.00 0.00 0.00 0.00 61.98 61.50 2dkr s VAL 58 Cb -0.03 -0.73 0.02 0.00 0.00 0.00 0.00 36.38 35.64 2dkr s VAL 58 CO -0.04 0.25 0.20 0.59 0.00 0.00 0.00 175.10 176.10 2dkr n ASN 59 N 3.26 -4.28 -0.50 3.32 3.02 0.12 -0.27 115.26 119.94 2dkr n ASN 59 Ca -0.18 -0.03 -0.04 0.00 -0.03 0.00 0.00 54.58 54.30 2dkr n ASN 59 Cb 0.54 -3.58 -0.00 0.00 -0.61 0.00 0.00 39.78 36.13 2dkr n ASN 59 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2dkr n GLY 60 N -1.00 0.23 3.02 7.41 0.00 -1.26 -4.98 105.19 108.61 2dkr n GLY 60 Ca -0.12 -0.71 -0.22 0.00 0.00 0.00 0.00 46.02 44.97 2dkr n GLY 60 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dkr s VAL 61 N -2.22 0.90 0.09 1.61 1.01 0.63 -5.12 120.40 117.30 2dkr s VAL 61 Ca 0.00 -0.41 -0.30 0.00 0.00 0.00 0.00 61.98 61.26 2dkr s VAL 61 Cb 0.00 -0.80 -0.06 0.00 0.00 0.00 0.00 36.38 35.52 2dkr s VAL 61 CO 0.00 0.28 1.21 -0.94 0.00 0.00 0.00 175.10 175.65 2dkr s SER 62 N 0.25 7.07 -0.01 3.32 1.04 -1.26 -0.10 113.70 124.00 2dkr s SER 62 Ca -0.05 2.09 0.02 0.00 0.48 0.00 0.00 55.95 58.49 2dkr s SER 62 Cb -0.10 -2.59 -0.03 0.00 0.10 0.00 0.00 66.02 63.40 2dkr s SER 62 CO 0.01 -0.46 0.03 1.33 0.98 0.00 0.00 173.24 175.14 2dkr n VAL 63 N 3.60 0.07 -0.50 5.02 0.24 -0.84 -4.67 118.33 121.24 2dkr n VAL 63 Ca 0.08 -0.07 0.41 0.00 -2.04 0.00 0.00 64.34 62.72 2dkr n VAL 63 Cb 0.46 -0.16 0.67 0.00 -1.47 0.00 0.00 33.84 33.33 2dkr n VAL 63 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2dkr n GLU 64 N -1.80 -0.03 -2.55 7.34 4.71 -1.12 0.35 120.64 127.55 2dkr n GLU 64 Ca -0.02 1.15 -0.28 0.00 -0.01 0.00 0.00 57.16 58.00 2dkr n GLU 64 Cb 0.28 -2.34 -0.01 0.00 -1.01 0.00 0.00 31.44 28.37 2dkr n GLU 64 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2dkr n GLY 65 N -1.58 5.92 3.42 0.62 0.00 -1.26 -4.96 105.19 107.35 2dkr n GLY 65 Ca 0.39 -2.76 -0.10 0.00 0.00 0.00 0.00 46.02 43.55 2dkr n GLY 65 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dkr s GLU 66 N -3.56 1.34 0.71 1.61 0.41 0.16 -5.15 118.70 114.22 2dkr s GLU 66 Ca 0.48 -1.30 -0.11 0.00 -0.41 0.00 0.00 54.97 53.63 2dkr s GLU 66 Cb 0.38 0.40 0.02 0.00 -1.78 0.00 0.00 34.13 33.14 2dkr s GLU 66 CO -0.19 -0.52 1.07 -1.14 -0.49 0.00 0.00 175.26 173.99 2dkr s GLN 67 N -4.03 2.76 0.08 1.61 0.74 -1.26 -4.36 119.66 115.21 2dkr s GLN 67 Ca 0.24 1.04 -0.27 0.00 0.05 0.00 0.00 55.36 56.42 2dkr s GLN 67 Cb 0.02 -1.97 -0.17 0.00 1.10 0.00 0.00 33.01 32.00 2dkr s GLN 67 CO 0.06 -1.24 1.69 1.25 -0.55 0.00 0.00 175.29 176.50 2dkr h HIS 68 N -0.76 -0.31 -0.87 1.67 -0.00 -1.89 -2.81 115.15 110.17 2dkr h HIS 68 Ca -0.44 -0.01 0.26 0.00 -0.00 0.00 0.00 60.37 60.18 2dkr h HIS 68 Cb 1.22 0.10 -0.16 0.00 -0.00 0.00 0.00 27.41 28.57 2dkr h HIS 68 CO 0.61 -0.19 0.08 0.39 -0.00 0.00 0.00 177.93 178.82 2dkr n GLU 69 N -5.23 -0.07 -0.05 5.26 1.02 -1.26 -0.81 120.64 119.50 2dkr n GLU 69 Ca -0.09 1.29 -0.04 0.00 -0.02 0.00 0.00 57.16 58.29 2dkr n GLU 69 Cb 0.16 -2.08 -0.03 0.00 -0.02 0.00 0.00 31.44 29.47 2dkr n GLU 69 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 2dkr h LYS 70 N 0.00 -0.12 -0.97 3.49 1.63 -1.88 0.16 116.57 118.88 2dkr h LYS 70 Ca 0.56 0.01 0.32 0.00 -0.85 0.00 0.00 60.65 60.68 2dkr h LYS 70 Cb 1.21 0.03 -0.17 0.00 -0.60 0.00 0.00 32.23 32.70 2dkr h LYS 70 CO -0.80 -0.08 0.30 0.00 -3.45 0.00 0.00 179.45 175.43 2dkr h ALA 71 N -0.88 1.61 0.16 5.00 0.00 -1.09 0.25 119.26 124.30 2dkr h ALA 71 Ca 0.02 0.27 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 2dkr h ALA 71 Cb 0.19 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2dkr h ALA 71 CO -0.20 -0.67 -0.08 0.28 0.00 0.00 0.00 179.25 178.59 2dkr h VAL 72 N 0.09 0.00 -1.18 0.00 2.07 -0.88 -2.27 116.25 114.09 2dkr h VAL 72 Ca 0.68 -0.05 0.34 0.00 0.82 0.00 0.00 66.70 68.50 2dkr h VAL 72 Cb 1.58 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 31.25 2dkr h VAL 72 CO -0.77 0.00 0.77 1.05 0.02 0.00 0.00 177.57 178.64 2dkr h GLU 73 N -0.27 0.22 0.47 1.57 4.11 0.03 0.26 114.58 120.97 2dkr h GLU 73 Ca -0.02 -0.01 -0.02 0.00 0.07 0.00 0.00 59.36 59.37 2dkr h GLU 73 Cb 0.17 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.37 2dkr h GLU 73 CO 0.04 0.14 -0.22 -0.07 0.07 0.00 0.00 179.01 178.97 2dkr h LEU 74 N 0.23 -0.53 -0.72 3.06 3.38 -0.48 0.24 115.31 120.49 2dkr h LEU 74 Ca 0.68 -0.03 0.14 0.00 0.09 0.00 0.00 57.88 58.76 2dkr h LEU 74 Cb 2.03 0.14 -0.14 0.00 0.09 0.00 0.00 40.66 42.79 2dkr h LEU 74 CO -0.30 -0.31 -0.23 -0.07 0.09 0.00 0.00 178.44 177.62 2dkr h LEU 75 N -0.72 -0.84 0.19 1.67 3.38 -0.33 0.19 115.31 118.84 2dkr h LEU 75 Ca -0.06 0.23 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 2dkr h LEU 75 Cb 0.53 0.51 0.00 0.00 0.09 0.00 0.00 40.66 41.78 2dkr h LEU 75 CO 0.11 -0.26 -0.09 0.11 0.09 0.00 0.00 178.44 178.39 2dkr h LYS 76 N -0.04 -0.24 -1.07 1.13 1.57 -1.42 -3.11 116.57 113.39 2dkr h LYS 76 Ca 0.33 0.02 0.36 0.00 -1.87 0.00 0.00 60.65 59.48 2dkr h LYS 76 Cb 0.55 0.05 -0.15 0.00 0.08 0.00 0.00 32.23 32.77 2dkr h LYS 76 CO -0.76 0.12 0.63 0.00 -0.57 0.00 0.00 179.45 178.87 2dkr h ALA 77 N 0.05 2.18 -1.95 3.86 0.00 0.42 -3.40 119.26 120.42 2dkr h ALA 77 Ca -0.03 0.18 -0.37 0.00 0.00 0.00 0.00 54.91 54.69 2dkr h ALA 77 Cb 0.47 0.19 0.21 0.00 0.00 0.00 0.00 17.79 18.66 2dkr h ALA 77 CO 0.04 -0.82 -0.16 0.00 0.00 0.00 0.00 179.25 178.31 2dkr n ALA 78 N -2.35 -4.72 -3.42 0.00 0.00 -0.03 -5.07 120.51 104.92 2dkr n ALA 78 Ca 0.34 -1.82 -0.13 0.00 0.00 0.00 0.00 53.44 51.83 2dkr n ALA 78 Cb 1.13 -1.63 -0.10 0.00 0.00 0.00 0.00 19.45 18.86 2dkr n ALA 78 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 2dkr s GLN 79 N -4.89 0.52 0.00 0.00 -2.07 -1.26 -4.94 119.66 107.01 2dkr s GLN 79 Ca 0.66 0.68 0.00 0.00 -1.82 0.00 0.00 55.36 54.88 2dkr s GLN 79 Cb -0.14 0.21 0.00 0.00 -1.09 0.00 0.00 33.01 31.99 2dkr s GLN 79 CO 0.57 -0.08 0.00 0.41 -1.32 0.00 0.00 175.29 174.87 2dkr n GLY 80 N 3.10 1.46 3.71 2.60 0.00 -1.26 -4.80 105.19 110.01 2dkr n GLY 80 Ca -0.15 -0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.81 2dkr n GLY 80 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dkr s SER 81 N 0.00 -0.26 -0.01 1.61 0.01 -1.26 -0.38 113.70 113.41 2dkr s SER 81 Ca 0.00 -0.35 0.02 0.00 1.31 0.00 0.00 55.95 56.93 2dkr s SER 81 Cb 0.00 0.53 -0.00 0.00 0.21 0.00 0.00 66.02 66.76 2dkr s SER 81 CO 0.00 -0.96 -0.08 0.68 0.41 0.00 0.00 173.24 173.29 2dkr s VAL 82 N -3.43 0.65 -0.44 3.43 -7.23 -0.18 -4.72 120.40 108.48 2dkr s VAL 82 Ca 0.10 -0.34 -0.17 0.00 -1.81 0.00 0.00 61.98 59.76 2dkr s VAL 82 Cb -0.02 -0.56 0.03 0.00 0.56 0.00 0.00 36.38 36.39 2dkr s VAL 82 CO 0.00 0.19 0.43 -0.54 -0.31 0.00 0.00 175.10 174.88 2dkr s LYS 83 N -0.09 3.06 -0.43 4.82 1.02 -1.26 -2.28 119.74 124.59 2dkr s LYS 83 Ca 0.02 -0.90 -0.07 0.00 0.02 0.00 0.00 55.97 55.03 2dkr s LYS 83 Cb -0.04 -4.01 0.10 0.00 -0.52 0.00 0.00 37.83 33.35 2dkr s LYS 83 CO -0.00 -0.91 0.26 -0.51 -0.92 0.00 0.00 175.35 173.27 2dkr s LEU 84 N 2.05 5.28 -0.12 3.17 1.43 -0.62 -0.70 118.68 129.17 2dkr s LEU 84 Ca 0.10 -1.75 -0.25 0.00 -1.03 0.00 0.00 54.13 51.19 2dkr s LEU 84 Cb -0.19 -1.94 -0.02 0.00 0.03 0.00 0.00 46.19 44.07 2dkr s LEU 84 CO 0.12 -0.57 0.81 -0.69 0.23 0.00 0.00 176.35 176.25 2dkr s VAL 85 N 1.32 4.93 0.26 -1.59 1.01 -0.51 -0.89 120.40 124.92 2dkr s VAL 85 Ca 0.05 1.64 0.02 0.00 0.00 0.00 0.00 61.98 63.68 2dkr s VAL 85 Cb -0.24 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 31.97 2dkr s VAL 85 CO -0.01 0.11 0.17 0.68 0.00 0.00 0.00 175.10 176.05 2dkr s VAL 86 N 1.63 0.08 -0.43 2.92 -7.23 -0.34 -1.12 120.40 115.91 2dkr s VAL 86 Ca 0.40 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.48 2dkr s VAL 86 Cb -0.17 -2.51 0.09 0.00 0.56 0.00 0.00 36.38 34.34 2dkr s VAL 86 CO 0.16 0.00 0.27 -0.13 -0.31 0.00 0.00 175.10 175.09 2dkr s ARG 87 N -3.90 2.57 0.82 4.82 0.52 -1.25 -2.22 118.95 120.30 2dkr s ARG 87 Ca 0.39 -1.51 -0.10 0.00 -0.52 0.00 0.00 55.73 53.98 2dkr s ARG 87 Cb 0.05 -3.79 0.08 0.00 0.52 0.00 0.00 34.95 31.81 2dkr s ARG 87 CO 0.17 -0.99 1.11 0.45 0.02 0.00 0.00 175.30 176.06 2dkr s SER 88 N 2.19 4.01 0.17 0.23 0.15 -1.23 -4.61 113.70 114.61 2dkr s SER 88 Ca 0.04 1.91 -0.08 0.00 0.70 0.00 0.00 55.95 58.51 2dkr s SER 88 Cb -0.23 -2.52 -0.06 0.00 -1.71 0.00 0.00 66.02 61.49 2dkr s SER 88 CO 0.01 -2.36 0.47 -0.83 1.20 0.00 0.00 173.24 171.73 2dkr s GLY 89 N -3.19 2.29 0.00 9.45 0.00 -1.26 -4.96 107.32 109.64 2dkr s GLY 89 Ca 0.63 -0.38 0.15 0.00 0.00 0.00 0.00 44.72 45.12 2dkr s GLY 89 CO 0.57 -0.24 1.36 -1.55 0.00 0.00 0.00 173.10 173.23 2dkr n PRO 90 N 0.15 0.43 -1.82 2.90 -0.04 -1.26 -4.82 135.00 130.55 2dkr n PRO 90 Ca -0.02 0.03 -0.41 0.00 -0.04 0.00 0.00 63.50 63.06 2dkr n PRO 90 Cb 0.52 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 2dkr n PRO 90 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2dkr s SER 91 N -2.11 6.26 0.02 3.54 0.01 -1.26 -5.02 113.70 115.13 2dkr s SER 91 Ca 0.22 3.00 -0.00 0.00 1.31 0.00 0.00 55.95 60.47 2dkr s SER 91 Cb 0.11 -2.66 -0.02 0.00 0.21 0.00 0.00 66.02 63.66 2dkr s SER 91 CO 0.19 -0.93 -0.02 -0.94 0.41 0.00 0.00 173.24 171.96 2dkr s SER 92 N -0.25 0.20 0.00 2.44 1.04 -1.26 -5.23 113.70 110.63 2dkr s SER 92 Ca 0.54 -0.42 0.00 0.00 0.48 0.00 0.00 55.95 56.56 2dkr s SER 92 Cb -0.45 0.09 0.00 0.00 0.10 0.00 0.00 66.02 65.76 2dkr s SER 92 CO 0.61 -0.26 0.00 0.61 0.98 0.00 0.00 173.24 175.18