#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dkr h SER 2 N 0.00 -1.37 -0.75 1.61 0.02 -2.11 0.61 113.55 111.56 2dkr h SER 2 Ca 0.00 0.30 0.11 0.00 -0.84 0.00 0.00 61.79 61.36 2dkr h SER 2 Cb 0.00 0.72 -0.12 0.00 0.14 0.00 0.00 62.40 63.14 2dkr h SER 2 CO 0.00 -0.29 -0.30 -1.54 -1.14 0.00 0.00 176.83 173.56 2dkr n SER 3 N -5.47 -0.50 0.00 3.07 3.41 -1.26 -4.88 113.62 107.98 2dkr n SER 3 Ca 0.10 1.31 0.00 0.00 -0.26 0.00 0.00 58.87 60.02 2dkr n SER 3 Cb 0.40 -0.29 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 2dkr n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dkr n GLY 4 N -1.35 1.55 2.86 5.00 0.00 0.20 -5.05 105.19 108.41 2dkr n GLY 4 Ca 0.07 -0.55 -0.13 0.00 0.00 0.00 0.00 46.02 45.41 2dkr n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dkr s SER 5 N -4.00 0.14 0.90 1.61 1.04 -1.26 -4.54 113.70 107.58 2dkr s SER 5 Ca 0.00 -0.01 -0.10 0.00 0.48 0.00 0.00 55.95 56.32 2dkr s SER 5 Cb 0.00 -0.04 0.14 0.00 0.10 0.00 0.00 66.02 66.21 2dkr s SER 5 CO 0.00 -0.02 1.13 -0.55 0.98 0.00 0.00 173.24 174.78 2dkr s SER 6 N 0.24 3.13 -0.97 7.02 0.15 -1.26 -4.78 113.70 117.23 2dkr s SER 6 Ca -0.02 2.10 -0.26 0.00 0.70 0.00 0.00 55.95 58.47 2dkr s SER 6 Cb -0.04 -2.55 -0.19 0.00 -1.71 0.00 0.00 66.02 61.54 2dkr s SER 6 CO -0.01 -2.96 2.22 -0.83 1.20 0.00 0.00 173.24 172.87 2dkr s GLY 7 N -2.80 -0.96 -0.33 9.45 0.00 -1.25 -4.89 107.32 106.54 2dkr s GLY 7 Ca 0.66 -1.24 -0.25 0.00 0.00 0.00 0.00 44.72 43.89 2dkr s GLY 7 CO 0.58 4.24 0.85 0.54 0.00 0.00 0.00 173.10 179.31 2dkr s VAL 8 N 15.94 4.71 -0.44 1.40 0.11 -1.26 -3.37 120.40 137.48 2dkr s VAL 8 Ca 0.85 1.22 -0.20 0.00 -2.93 0.00 0.00 61.98 60.92 2dkr s VAL 8 Cb -0.08 -4.22 0.03 0.00 -1.53 0.00 0.00 36.38 30.57 2dkr s VAL 8 CO 0.14 -0.36 0.60 -0.69 -3.33 0.00 0.00 175.10 171.46 2dkr s VAL 9 N 3.16 4.89 -0.48 2.04 1.01 0.37 -4.87 120.40 126.51 2dkr s VAL 9 Ca 0.35 -0.08 -0.18 0.00 0.00 0.00 0.00 61.98 62.07 2dkr s VAL 9 Cb -0.13 -4.18 0.05 0.00 0.00 0.00 0.00 36.38 32.11 2dkr s VAL 9 CO 0.14 -0.59 0.54 -0.70 0.00 0.00 0.00 175.10 174.49 2dkr s GLU 10 N 2.65 3.09 0.13 2.72 2.12 -1.26 -1.54 118.70 126.61 2dkr s GLU 10 Ca 0.19 -0.93 0.04 0.00 0.36 0.00 0.00 54.97 54.63 2dkr s GLU 10 Cb -0.15 -4.07 -0.04 0.00 0.26 0.00 0.00 34.13 30.13 2dkr s GLU 10 CO 0.17 -1.09 0.11 -0.51 -0.54 0.00 0.00 175.26 173.39 2dkr s LEU 11 N 2.32 3.79 -0.06 2.70 1.43 -0.93 -4.94 118.68 122.99 2dkr s LEU 11 Ca 0.12 -0.08 -0.30 0.00 -1.03 0.00 0.00 54.13 52.84 2dkr s LEU 11 Cb -0.20 -2.43 -0.05 0.00 0.03 0.00 0.00 46.19 43.54 2dkr s LEU 11 CO 0.11 0.12 1.50 -2.16 0.23 0.00 0.00 176.35 176.15 2dkr s PRO 12 N -2.78 4.22 -0.27 1.29 0.04 -1.26 -1.87 135.00 134.37 2dkr s PRO 12 Ca 0.30 2.01 -0.28 0.00 0.04 0.00 0.00 61.00 63.07 2dkr s PRO 12 Cb -0.11 -3.82 -0.04 0.00 0.04 0.00 0.00 34.50 30.57 2dkr s PRO 12 CO 0.23 -0.75 2.07 0.21 0.04 0.00 0.00 177.00 178.80 2dkr s LYS 13 N 3.47 3.17 -0.19 4.56 2.47 -1.15 -4.90 119.74 127.16 2dkr s LYS 13 Ca 0.67 1.79 -0.03 0.00 -1.56 0.00 0.00 55.97 56.83 2dkr s LYS 13 Cb -0.30 -4.32 0.06 0.00 -1.46 0.00 0.00 37.83 31.81 2dkr s LYS 13 CO 0.25 -2.06 0.04 0.95 0.16 0.00 0.00 175.35 174.70 2dkr s THR 14 N 7.92 0.50 0.42 3.43 -4.23 -1.26 -4.83 115.64 117.58 2dkr s THR 14 Ca 0.93 -0.55 0.30 0.00 -1.18 0.00 0.00 61.69 61.19 2dkr s THR 14 Cb -0.29 -1.02 0.47 0.00 1.34 0.00 0.00 72.50 73.01 2dkr s THR 14 CO 0.34 -0.22 1.52 -0.90 -0.54 0.00 0.00 174.62 174.83 2dkr n ASP 15 N 5.06 0.22 -0.29 3.99 5.75 -1.26 0.53 116.55 130.55 2dkr n ASP 15 Ca -0.09 1.38 0.11 0.00 -0.01 0.00 0.00 54.79 56.19 2dkr n ASP 15 Cb 0.47 -0.68 0.26 0.00 -1.03 0.00 0.00 41.12 40.14 2dkr n ASP 15 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 2dkr h GLU 16 N 0.00 0.14 0.00 0.11 4.57 -1.99 -3.47 114.58 113.95 2dkr h GLU 16 Ca 0.85 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 59.03 2dkr h GLU 16 Cb 2.70 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 31.26 2dkr h GLU 16 CO -0.49 0.10 0.00 0.41 -1.18 0.00 0.00 179.01 177.85 2dkr n GLY 17 N -1.40 3.31 0.09 1.92 0.00 0.19 -5.00 105.19 104.30 2dkr n GLY 17 Ca 0.20 -1.70 -0.12 0.00 0.00 0.00 0.00 46.02 44.39 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 0.00 2.19 -0.05 0.99 7.99 -1.26 -4.59 117.00 122.27 2dkr n LEU 18 Ca 0.00 -0.08 0.00 0.00 -0.01 0.00 0.00 56.01 55.92 2dkr n LEU 18 Cb 0.00 -0.41 0.00 0.00 -0.11 0.00 0.00 43.42 42.90 2dkr n LEU 18 CO 0.00 0.72 0.00 0.61 -1.51 0.00 0.00 177.39 177.21 2dkr n GLY 19 N 2.41 0.94 3.14 -0.72 0.00 -1.26 -0.06 105.19 109.65 2dkr n GLY 19 Ca -0.33 -0.06 -0.12 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.00 -0.18 0.04 1.61 -0.71 -1.26 -1.24 117.98 114.23 2dkr s PHE 20 Ca 0.00 0.41 0.07 0.00 -1.04 0.00 0.00 56.93 56.37 2dkr s PHE 20 Cb 0.00 0.06 -0.03 0.00 -1.21 0.00 0.00 43.02 41.84 2dkr s PHE 20 CO 0.00 -0.21 -0.20 -0.80 -1.34 0.00 0.00 175.22 172.67 2dkr s ASN 21 N -0.45 3.64 0.08 1.98 0.01 0.55 -4.97 114.94 115.78 2dkr s ASN 21 Ca -0.06 -0.45 0.07 0.00 -0.71 0.00 0.00 52.86 51.71 2dkr s ASN 21 Cb -0.04 -0.54 -0.03 0.00 0.41 0.00 0.00 41.25 41.05 2dkr s ASN 21 CO 0.01 0.26 -0.19 0.27 -1.51 0.00 0.00 177.10 175.95 2dkr s ILE 22 N -0.88 1.52 0.01 0.60 -4.36 -1.26 -0.98 121.20 115.85 2dkr s ILE 22 Ca 0.14 -1.41 -0.03 0.00 -0.26 0.00 0.00 60.65 59.08 2dkr s ILE 22 Cb -0.10 -1.39 -0.01 0.00 1.25 0.00 0.00 42.46 42.21 2dkr s ILE 22 CO 0.04 -0.07 0.04 0.00 0.24 0.00 0.00 174.94 175.20 2dkr s MET 23 N -1.74 0.33 0.00 0.37 0.23 -1.19 -4.85 119.30 112.45 2dkr s MET 23 Ca 0.04 -0.41 0.00 0.00 -1.03 0.00 0.00 55.69 54.29 2dkr s MET 23 Cb -0.10 0.13 0.00 0.00 -1.53 0.00 0.00 34.83 33.33 2dkr s MET 23 CO 0.03 -0.06 0.00 0.41 -2.03 0.00 0.00 175.02 173.37 2dkr n GLY 24 N 1.82 1.91 0.00 3.16 0.00 -1.26 -3.94 105.19 106.88 2dkr n GLY 24 Ca -0.21 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 43.87 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 1.99 0.12 0.07 -0.02 0.00 -1.26 -4.72 105.19 101.37 2dkr n GLY 25 Ca 0.00 0.53 -0.06 0.00 0.00 0.00 0.00 46.02 46.49 2dkr n GLY 25 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2dkr n LYS 26 N 0.00 0.44 -0.32 1.61 4.76 -1.26 -3.76 118.16 119.63 2dkr n LYS 26 Ca 0.00 0.41 0.13 0.00 -2.87 0.00 0.00 58.31 55.98 2dkr n LYS 26 Cb 0.00 -1.55 0.31 0.00 -1.84 0.00 0.00 35.03 31.95 2dkr n LYS 26 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 2dkr h GLU 27 N -0.93 0.51 0.00 1.97 4.39 -1.97 0.64 114.58 119.18 2dkr h GLU 27 Ca 0.00 -0.03 -0.04 0.00 0.34 0.00 0.00 59.36 59.63 2dkr h GLU 27 Cb 0.61 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 2dkr h GLU 27 CO 0.00 0.33 -0.18 0.37 -1.16 0.00 0.00 179.01 178.37 2dkr h GLN 28 N 0.52 0.00 -5.34 2.33 5.75 -1.95 -3.46 115.11 112.95 2dkr h GLN 28 Ca 0.56 0.00 -0.36 0.00 -0.15 0.00 0.00 58.65 58.71 2dkr h GLN 28 Cb 1.00 0.00 0.13 0.00 1.07 0.00 0.00 27.48 29.68 2dkr h GLN 28 CO -0.47 0.18 -0.61 -1.71 -2.65 0.00 0.00 178.83 173.57 2dkr n ASN 29 N -3.88 -5.78 -4.11 -0.69 5.15 0.22 -4.95 115.26 101.22 2dkr n ASN 29 Ca -0.02 -0.49 -0.08 0.00 -0.60 0.00 0.00 54.58 53.40 2dkr n ASN 29 Cb 0.28 -4.57 -0.10 0.00 -0.53 0.00 0.00 39.78 34.86 2dkr n ASN 29 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 2dkr s SER 30 N -3.33 0.50 0.20 1.20 0.01 -1.25 -5.08 113.70 105.96 2dkr s SER 30 Ca 0.51 -1.04 -0.30 0.00 1.31 0.00 0.00 55.95 56.42 2dkr s SER 30 Cb -0.22 0.21 -0.09 0.00 0.21 0.00 0.00 66.02 66.13 2dkr s SER 30 CO 0.65 -0.62 1.30 -2.16 0.41 0.00 0.00 173.24 172.83 2dkr s PRO 31 N -3.94 4.39 -0.04 12.44 0.04 -1.26 -4.13 135.00 142.50 2dkr s PRO 31 Ca 0.11 2.04 -0.30 0.00 0.04 0.00 0.00 61.00 62.89 2dkr s PRO 31 Cb 0.08 -3.20 -0.04 0.00 0.04 0.00 0.00 34.50 31.38 2dkr s PRO 31 CO -0.07 -0.24 1.32 0.42 0.04 0.00 0.00 177.00 178.47 2dkr s ILE 32 N 0.10 3.97 0.30 0.56 1.01 -1.26 -4.89 121.20 120.99 2dkr s ILE 32 Ca 0.56 1.31 -0.00 0.00 0.00 0.00 0.00 60.65 62.52 2dkr s ILE 32 Cb -0.36 -3.84 -0.02 0.00 0.01 0.00 0.00 42.46 38.25 2dkr s ILE 32 CO 0.38 -0.02 0.35 -0.72 0.00 0.00 0.00 174.94 174.93 2dkr s TYR 33 N 2.51 1.24 -0.19 3.97 -0.85 -1.25 0.93 117.35 123.71 2dkr s TYR 33 Ca 0.60 -1.37 -0.29 0.00 -0.52 0.00 0.00 57.07 55.49 2dkr s TYR 33 Cb -0.28 -0.35 0.00 0.00 0.38 0.00 0.00 41.96 41.71 2dkr s TYR 33 CO 0.24 -0.94 1.03 0.42 -1.52 0.00 0.00 175.55 174.78 2dkr s ILE 34 N -3.48 4.70 -0.11 -3.49 -1.09 -1.01 -3.19 121.20 113.54 2dkr s ILE 34 Ca 0.35 2.03 -0.17 0.00 -2.23 0.00 0.00 60.65 60.62 2dkr s ILE 34 Cb 0.02 -4.31 -0.27 0.00 -1.58 0.00 0.00 42.46 36.32 2dkr s ILE 34 CO 0.20 -0.12 0.57 0.77 -1.23 0.00 0.00 174.94 175.13 2dkr h SER 35 N 7.35 0.35 -5.04 3.58 4.64 -1.38 -2.19 113.55 120.85 2dkr h SER 35 Ca -0.23 -0.85 -0.10 0.00 -0.47 0.00 0.00 61.79 60.14 2dkr h SER 35 Cb 1.09 -0.12 -0.18 0.00 -0.31 0.00 0.00 62.40 62.89 2dkr h SER 35 CO 0.94 1.58 -0.26 -0.60 -0.87 0.00 0.00 176.83 177.62 2dkr s ARG 36 N -2.46 0.78 -0.06 4.77 3.52 -1.22 -4.89 118.95 119.38 2dkr s ARG 36 Ca -0.20 -0.44 0.04 0.00 -0.13 0.00 0.00 55.73 55.00 2dkr s ARG 36 Cb 0.04 0.34 0.00 0.00 -1.56 0.00 0.00 34.95 33.77 2dkr s ARG 36 CO 0.76 -0.24 -0.18 0.08 -0.81 0.00 0.00 175.30 174.91 2dkr s VAL 37 N -2.30 1.51 0.01 7.11 1.01 -1.26 -0.33 120.40 126.15 2dkr s VAL 37 Ca -0.07 -0.73 -0.30 0.00 0.00 0.00 0.00 61.98 60.88 2dkr s VAL 37 Cb -0.02 -1.32 -0.07 0.00 0.00 0.00 0.00 36.38 34.98 2dkr s VAL 37 CO -0.02 0.44 1.58 -0.63 0.00 0.00 0.00 175.10 176.47 2dkr s ILE 38 N 0.27 3.39 -2.00 2.22 -1.09 -0.37 -4.86 121.20 118.76 2dkr s ILE 38 Ca -0.10 0.73 0.11 0.00 -2.23 0.00 0.00 60.65 59.16 2dkr s ILE 38 Cb -0.14 -3.47 0.32 0.00 -1.58 0.00 0.00 42.46 37.59 2dkr s ILE 38 CO 0.04 -0.02 1.10 -0.81 -1.23 0.00 0.00 174.94 174.02 2dkr n PRO 39 N 5.97 0.49 -2.70 2.79 -0.04 -1.26 -3.18 135.00 137.07 2dkr n PRO 39 Ca 0.15 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.55 2dkr n PRO 39 Cb 0.42 -1.36 0.08 0.00 -0.04 0.00 0.00 33.50 32.60 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 1.55 0.00 0.55 0.00 -1.26 -4.98 105.19 101.04 2dkr n GLY 40 Ca 0.08 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.53 5.90 0.15 -0.02 0.00 -1.19 -5.04 105.19 104.45 2dkr n GLY 41 Ca 0.01 -2.10 -0.21 0.00 0.00 0.00 0.00 46.02 43.71 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 0.38 1.33 0.49 1.61 2.07 -1.21 -3.25 116.25 117.67 2dkr h VAL 42 Ca 0.00 -2.66 -0.02 0.00 0.82 0.00 0.00 66.70 64.83 2dkr h VAL 42 Cb 0.00 2.85 0.00 0.00 -1.52 0.00 0.00 31.29 32.63 2dkr h VAL 42 CO 0.00 0.80 -0.23 0.00 0.02 0.00 0.00 177.57 178.15 2dkr h ALA 43 N 0.33 -0.66 -0.68 1.67 0.00 -0.75 -1.80 119.26 117.37 2dkr h ALA 43 Ca -0.20 -0.19 0.11 0.00 0.00 0.00 0.00 54.91 54.64 2dkr h ALA 43 Cb 2.00 0.25 -0.12 0.00 0.00 0.00 0.00 17.79 19.92 2dkr h ALA 43 CO 0.24 -0.75 -0.36 0.22 0.00 0.00 0.00 179.25 178.59 2dkr h ASP 44 N -0.88 -1.28 -0.72 0.00 3.58 -1.77 0.16 116.42 115.52 2dkr h ASP 44 Ca -0.07 0.25 0.03 0.00 0.42 0.00 0.00 57.03 57.66 2dkr h ASP 44 Cb 0.59 0.63 -0.04 0.00 1.72 0.00 0.00 39.33 42.23 2dkr h ASP 44 CO 0.11 -0.30 0.45 0.03 -2.88 0.00 0.00 179.24 176.65 2dkr h ARG 45 N -0.13 0.87 -0.41 0.28 3.08 -1.58 -2.67 114.38 113.81 2dkr h ARG 45 Ca 0.25 -0.05 0.09 0.00 0.07 0.00 0.00 59.98 60.33 2dkr h ARG 45 Cb 0.56 -0.20 -0.08 0.00 0.08 0.00 0.00 29.97 30.33 2dkr h ARG 45 CO -0.75 0.57 -0.15 1.25 -1.07 0.00 0.00 179.97 179.82 2dkr h HIS 46 N 0.89 -0.35 -2.45 3.04 2.76 0.20 -3.47 115.15 115.77 2dkr h HIS 46 Ca 0.29 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.50 2dkr h HIS 46 Cb 0.01 0.22 0.00 0.00 1.55 0.00 0.00 27.41 29.18 2dkr h HIS 46 CO -0.04 -0.23 0.00 0.41 -1.30 0.00 0.00 177.93 176.77 2dkr n GLY 47 N -1.35 0.70 0.00 5.26 0.00 -0.64 -5.01 105.19 104.16 2dkr n GLY 47 Ca 0.03 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.14 0.20 3.80 -0.02 0.00 -1.26 -5.11 105.19 101.66 2dkr n GLY 48 Ca 0.00 -0.11 -0.37 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.62 4.35 0.11 0.99 1.43 -1.26 -5.08 118.68 116.61 2dkr s LEU 49 Ca 0.00 0.64 -0.06 0.00 -1.03 0.00 0.00 54.13 53.69 2dkr s LEU 49 Cb 0.00 -2.37 -0.02 0.00 0.03 0.00 0.00 46.19 43.83 2dkr s LEU 49 CO 0.00 0.24 0.15 -0.54 0.23 0.00 0.00 176.35 176.43 2dkr s LYS 50 N -0.38 0.91 0.09 1.70 1.02 -1.26 -4.78 119.74 117.04 2dkr s LYS 50 Ca 0.18 -1.18 -0.32 0.00 0.02 0.00 0.00 55.97 54.67 2dkr s LYS 50 Cb -0.14 0.30 -0.11 0.00 -0.52 0.00 0.00 37.83 37.37 2dkr s LYS 50 CO 0.07 -0.28 1.83 -2.13 -0.92 0.00 0.00 175.35 173.92 2dkr n ARG 51 N -0.08 2.65 0.00 1.68 0.63 -1.26 -2.23 116.66 118.05 2dkr n ARG 51 Ca -0.10 0.97 0.00 0.00 -0.92 0.00 0.00 57.85 57.79 2dkr n ARG 51 Cb 0.63 -2.85 0.00 0.00 0.45 0.00 0.00 32.46 30.69 2dkr n ARG 51 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2dkr n GLY 52 N 4.21 1.12 3.52 5.14 0.00 -0.83 -4.97 105.19 113.39 2dkr n GLY 52 Ca 0.19 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.76 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 2.52 -4.64 1.61 9.92 -0.95 -4.57 116.55 120.44 2dkr n ASP 53 Ca 0.00 0.18 -0.43 0.00 -0.53 0.00 0.00 54.79 54.01 2dkr n ASP 53 Cb 0.00 -1.41 -0.02 0.00 -0.64 0.00 0.00 41.12 39.05 2dkr n ASP 53 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 2dkr s GLN 54 N 6.70 4.02 -0.30 -1.24 -0.44 -1.26 -2.41 119.66 124.74 2dkr s GLN 54 Ca 1.06 1.59 -0.28 0.00 -2.50 0.00 0.00 55.36 55.22 2dkr s GLN 54 Cb -0.57 -3.89 -0.03 0.00 -1.64 0.00 0.00 33.01 26.88 2dkr s GLN 54 CO 0.40 -1.00 1.86 -1.17 0.50 0.00 0.00 175.29 175.89 2dkr s LEU 55 N 4.26 3.53 -0.16 3.68 2.96 0.27 -3.39 118.68 129.82 2dkr s LEU 55 Ca 0.61 1.45 -0.18 0.00 -0.22 0.00 0.00 54.13 55.80 2dkr s LEU 55 Cb -0.22 -3.52 -0.15 0.00 0.50 0.00 0.00 46.19 42.80 2dkr s LEU 55 CO 0.23 -1.71 0.23 -0.07 -1.32 0.00 0.00 176.35 173.70 2dkr h LEU 56 N 13.74 0.00 -7.22 -0.68 3.38 -1.55 -3.37 115.31 119.62 2dkr h LEU 56 Ca -0.35 -0.44 -0.08 0.00 0.09 0.00 0.00 57.88 57.09 2dkr h LEU 56 Cb 1.18 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.74 2dkr h LEU 56 CO 1.01 1.09 -0.01 -0.44 0.09 0.00 0.00 178.44 180.19 2dkr s SER 57 N -6.30 -0.46 -0.03 -0.43 0.01 -1.24 -2.12 113.70 103.14 2dkr s SER 57 Ca -0.20 0.42 0.05 0.00 1.31 0.00 0.00 55.95 57.53 2dkr s SER 57 Cb 0.02 0.45 -0.01 0.00 0.21 0.00 0.00 66.02 66.69 2dkr s SER 57 CO 0.46 -0.56 -0.17 -0.69 0.41 0.00 0.00 173.24 172.69 2dkr s VAL 58 N -1.35 1.35 -1.31 3.43 1.01 0.13 -1.07 120.40 122.59 2dkr s VAL 58 Ca -0.12 -0.70 -0.04 0.00 0.00 0.00 0.00 61.98 61.12 2dkr s VAL 58 Cb -0.02 -1.14 0.03 0.00 0.00 0.00 0.00 36.38 35.24 2dkr s VAL 58 CO 0.07 0.39 0.31 0.59 0.00 0.00 0.00 175.10 176.46 2dkr n ASN 59 N 2.89 -4.51 -0.74 3.32 5.03 0.06 -0.21 115.26 121.09 2dkr n ASN 59 Ca -0.16 -0.14 -0.07 0.00 0.87 0.00 0.00 54.58 55.07 2dkr n ASN 59 Cb 0.54 -3.74 -0.01 0.00 -1.02 0.00 0.00 39.78 35.55 2dkr n ASN 59 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2dkr n GLY 60 N -1.12 0.39 3.01 7.41 0.00 -1.26 -5.00 105.19 108.62 2dkr n GLY 60 Ca -0.10 -0.63 -0.26 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.34 1.23 -0.06 1.61 1.01 0.70 -5.10 120.40 117.46 2dkr s VAL 61 Ca 0.00 -0.49 -0.29 0.00 0.00 0.00 0.00 61.98 61.20 2dkr s VAL 61 Cb 0.00 -1.15 -0.07 0.00 0.00 0.00 0.00 36.38 35.16 2dkr s VAL 61 CO 0.00 0.39 1.99 -0.94 0.00 0.00 0.00 175.10 176.54 2dkr s SER 62 N 1.02 6.18 -0.02 3.32 1.04 -1.26 -0.69 113.70 123.29 2dkr s SER 62 Ca -0.07 2.34 0.14 0.00 0.48 0.00 0.00 55.95 58.84 2dkr s SER 62 Cb -0.15 -2.53 -0.21 0.00 0.10 0.00 0.00 66.02 63.24 2dkr s SER 62 CO -0.01 -1.32 0.32 1.33 0.98 0.00 0.00 173.24 174.54 2dkr n VAL 63 N 6.23 0.00 -0.19 5.02 0.24 -0.92 -4.50 118.33 124.21 2dkr n VAL 63 Ca 0.22 -0.30 0.01 0.00 -2.04 0.00 0.00 64.34 62.23 2dkr n VAL 63 Cb 0.43 0.25 0.26 0.00 -1.47 0.00 0.00 33.84 33.31 2dkr n VAL 63 CO 0.00 0.00 0.00 1.05 -2.14 0.00 0.00 176.83 175.74 2dkr h GLU 64 N 0.00 0.94 -0.92 7.34 -0.00 -1.59 -2.51 114.58 117.85 2dkr h GLU 64 Ca 0.00 -0.06 -0.63 0.00 -0.00 0.00 0.00 59.36 58.67 2dkr h GLU 64 Cb 0.60 -0.21 -0.33 0.00 -0.00 0.00 0.00 28.75 28.81 2dkr h GLU 64 CO 0.00 0.62 0.37 0.41 -0.00 0.00 0.00 179.01 180.41 2dkr n GLY 65 N -1.42 6.00 3.33 1.06 0.00 -1.26 -4.89 105.19 108.02 2dkr n GLY 65 Ca 0.08 -2.38 -0.10 0.00 0.00 0.00 0.00 46.02 43.61 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 -3.75 1.23 0.61 1.61 0.41 -0.95 -5.12 118.70 112.75 2dkr s GLU 66 Ca 0.61 -1.37 -0.17 0.00 -0.41 0.00 0.00 54.97 53.63 2dkr s GLU 66 Cb 0.48 0.35 -0.02 0.00 -1.78 0.00 0.00 34.13 33.15 2dkr s GLU 66 CO 0.01 -0.44 1.13 -0.65 -0.49 0.00 0.00 175.26 174.82 2dkr s GLN 67 N -4.05 2.98 0.17 1.61 -0.21 -1.26 -4.69 119.66 114.21 2dkr s GLN 67 Ca 0.26 1.54 -0.24 0.00 0.02 0.00 0.00 55.36 56.94 2dkr s GLN 67 Cb 0.04 -1.96 0.06 0.00 1.00 0.00 0.00 33.01 32.15 2dkr s GLN 67 CO 0.06 -1.14 1.59 1.25 -2.12 0.00 0.00 175.29 174.93 2dkr h HIS 68 N 0.52 -1.03 -0.88 0.91 -0.00 -1.90 -0.74 115.15 112.03 2dkr h HIS 68 Ca -0.48 0.07 0.18 0.00 -0.00 0.00 0.00 60.37 60.13 2dkr h HIS 68 Cb 1.26 0.52 -0.17 0.00 -0.00 0.00 0.00 27.41 29.02 2dkr h HIS 68 CO 0.52 -0.40 -0.21 0.39 -0.00 0.00 0.00 177.93 178.23 2dkr n GLU 69 N -5.42 -0.08 -0.31 5.26 -0.58 -1.26 0.10 120.64 118.35 2dkr n GLU 69 Ca 0.02 1.36 0.12 0.00 -0.42 0.00 0.00 57.16 58.24 2dkr n GLU 69 Cb 0.35 -2.04 0.26 0.00 -0.57 0.00 0.00 31.44 29.43 2dkr n GLU 69 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 2dkr h LYS 70 N 0.00 0.07 0.03 3.49 1.63 -1.49 0.25 116.57 120.55 2dkr h LYS 70 Ca 0.43 -0.00 0.01 0.00 -0.85 0.00 0.00 60.65 60.23 2dkr h LYS 70 Cb 0.66 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.27 2dkr h LYS 70 CO -0.90 0.04 -0.06 0.00 -3.45 0.00 0.00 179.45 175.09 2dkr h ALA 71 N 1.88 -0.09 0.66 5.00 0.00 0.60 -0.28 119.26 127.03 2dkr h ALA 71 Ca 0.55 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.42 2dkr h ALA 71 Cb 1.09 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2dkr h ALA 71 CO -0.81 -0.56 -0.35 0.28 0.00 0.00 0.00 179.25 177.80 2dkr h VAL 72 N -0.12 0.00 -1.05 0.00 2.07 -0.51 -1.62 116.25 115.02 2dkr h VAL 72 Ca 0.01 0.00 0.28 0.00 0.82 0.00 0.00 66.70 67.81 2dkr h VAL 72 Cb 0.13 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 29.80 2dkr h VAL 72 CO -0.04 0.00 0.68 1.05 0.02 0.00 0.00 177.57 179.28 2dkr h GLU 73 N -0.93 0.37 0.54 1.57 4.11 -0.95 -1.03 114.58 118.26 2dkr h GLU 73 Ca -0.09 -0.02 -0.03 0.00 0.07 0.00 0.00 59.36 59.29 2dkr h GLU 73 Cb 0.73 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.90 2dkr h GLU 73 CO 0.13 0.24 -0.26 -0.07 0.07 0.00 0.00 179.01 179.12 2dkr h LEU 74 N 0.38 -0.61 -0.98 3.06 3.38 -0.72 -0.34 115.31 119.49 2dkr h LEU 74 Ca 0.61 -0.03 0.32 0.00 0.09 0.00 0.00 57.88 58.87 2dkr h LEU 74 Cb 1.56 0.16 -0.17 0.00 0.09 0.00 0.00 40.66 42.30 2dkr h LEU 74 CO -0.31 -0.34 0.27 -0.07 0.09 0.00 0.00 178.44 178.08 2dkr h LEU 75 N -0.85 -0.06 -0.06 1.67 3.38 -0.20 0.36 115.31 119.55 2dkr h LEU 75 Ca -0.07 0.25 -0.11 0.00 0.09 0.00 0.00 57.88 58.04 2dkr h LEU 75 Cb 0.60 0.35 0.01 0.00 0.09 0.00 0.00 40.66 41.71 2dkr h LEU 75 CO 0.12 -0.34 -0.39 0.11 0.09 0.00 0.00 178.44 178.03 2dkr h LYS 76 N 0.06 0.37 -0.99 1.13 1.57 -1.37 -3.24 116.57 114.11 2dkr h LYS 76 Ca 0.69 -0.32 0.33 0.00 -1.87 0.00 0.00 60.65 59.48 2dkr h LYS 76 Cb 1.59 0.07 -0.16 0.00 0.08 0.00 0.00 32.23 33.81 2dkr h LYS 76 CO -0.81 0.97 0.51 0.00 -0.57 0.00 0.00 179.45 179.55 2dkr h ALA 77 N 0.41 1.90 -1.87 3.86 0.00 0.15 -3.41 119.26 120.31 2dkr h ALA 77 Ca -0.03 0.22 -0.42 0.00 0.00 0.00 0.00 54.91 54.67 2dkr h ALA 77 Cb 1.06 0.22 0.22 0.00 0.00 0.00 0.00 17.79 19.30 2dkr h ALA 77 CO 0.08 -0.64 -0.54 0.00 0.00 0.00 0.00 179.25 178.15 2dkr n ALA 78 N -2.36 -3.65 -3.54 0.00 0.00 -0.81 -5.05 120.51 105.10 2dkr n ALA 78 Ca 0.32 -1.32 -0.12 0.00 0.00 0.00 0.00 53.44 52.32 2dkr n ALA 78 Cb 1.01 -1.68 -0.09 0.00 0.00 0.00 0.00 19.45 18.69 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 -3.96 0.59 0.00 0.00 -2.07 -1.26 -4.94 119.66 108.01 2dkr s GLN 79 Ca 0.61 0.85 0.00 0.00 -1.82 0.00 0.00 55.36 55.00 2dkr s GLN 79 Cb -0.17 0.20 0.00 0.00 -1.09 0.00 0.00 33.01 31.94 2dkr s GLN 79 CO 0.64 -0.11 0.00 0.41 -1.32 0.00 0.00 175.29 174.91 2dkr n GLY 80 N 3.42 1.15 3.52 2.60 0.00 -1.26 -4.72 105.19 109.89 2dkr n GLY 80 Ca -0.17 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.76 2dkr n GLY 80 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dkr s SER 81 N 0.00 -0.80 0.09 1.61 1.04 -1.26 -2.93 113.70 111.45 2dkr s SER 81 Ca 0.00 1.30 -0.04 0.00 0.48 0.00 0.00 55.95 57.70 2dkr s SER 81 Cb 0.00 1.18 -0.05 0.00 0.10 0.00 0.00 66.02 67.26 2dkr s SER 81 CO 0.00 -0.22 0.30 0.68 0.98 0.00 0.00 173.24 174.98 2dkr s VAL 82 N 1.50 5.27 -0.26 5.02 -7.23 -0.78 -4.90 120.40 119.02 2dkr s VAL 82 Ca -0.09 -0.07 -0.02 0.00 -1.81 0.00 0.00 61.98 59.98 2dkr s VAL 82 Cb -0.06 -3.61 0.03 0.00 0.56 0.00 0.00 36.38 33.29 2dkr s VAL 82 CO -0.17 0.14 -0.05 -0.54 -0.31 0.00 0.00 175.10 174.18 2dkr s LYS 83 N -2.42 2.78 -0.32 4.82 1.02 -1.26 -2.18 119.74 122.18 2dkr s LYS 83 Ca 0.36 -1.02 -0.07 0.00 0.02 0.00 0.00 55.97 55.26 2dkr s LYS 83 Cb -0.13 -3.03 0.02 0.00 -0.52 0.00 0.00 37.83 34.18 2dkr s LYS 83 CO 0.24 -0.43 0.10 -0.51 -0.92 0.00 0.00 175.35 173.83 2dkr s LEU 84 N 1.32 4.14 -0.09 3.17 1.43 -0.59 -0.76 118.68 127.30 2dkr s LEU 84 Ca -0.01 -0.93 -0.18 0.00 -1.03 0.00 0.00 54.13 51.99 2dkr s LEU 84 Cb -0.17 -1.89 -0.05 0.00 0.03 0.00 0.00 46.19 44.11 2dkr s LEU 84 CO -0.04 -0.27 0.47 -0.69 0.23 0.00 0.00 176.35 176.06 2dkr s VAL 85 N 1.46 5.14 0.25 -1.59 1.01 -0.23 -0.48 120.40 125.95 2dkr s VAL 85 Ca 0.01 0.96 0.01 0.00 0.00 0.00 0.00 61.98 62.96 2dkr s VAL 85 Cb -0.18 -3.81 -0.05 0.00 0.00 0.00 0.00 36.38 32.34 2dkr s VAL 85 CO 0.03 0.38 0.09 0.68 0.00 0.00 0.00 175.10 176.28 2dkr s VAL 86 N 0.28 0.55 -0.27 2.92 -7.23 -1.22 -1.48 120.40 113.94 2dkr s VAL 86 Ca 0.26 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.37 2dkr s VAL 86 Cb -0.16 -2.60 -0.00 0.00 0.56 0.00 0.00 36.38 34.19 2dkr s VAL 86 CO 0.11 -0.04 0.06 -0.60 -0.31 0.00 0.00 175.10 174.33 2dkr s ARG 87 N -4.03 3.25 0.15 4.82 3.52 -1.22 -3.97 118.95 121.47 2dkr s ARG 87 Ca 0.37 -0.74 -0.06 0.00 -0.13 0.00 0.00 55.73 55.17 2dkr s ARG 87 Cb 0.08 -3.30 -0.06 0.00 -1.56 0.00 0.00 34.95 30.11 2dkr s ARG 87 CO 0.13 -0.35 0.40 -1.54 -0.81 0.00 0.00 175.30 173.12 2dkr s SER 88 N 1.52 6.52 0.00 -2.12 1.04 -1.26 -4.58 113.70 114.82 2dkr s SER 88 Ca 0.04 0.65 0.00 0.00 0.48 0.00 0.00 55.95 57.11 2dkr s SER 88 Cb -0.16 -2.11 0.00 0.00 0.10 0.00 0.00 66.02 63.84 2dkr s SER 88 CO 0.02 0.05 0.00 0.61 0.98 0.00 0.00 173.24 174.89 2dkr n GLY 89 N 0.13 3.91 3.75 7.32 0.00 -1.26 -5.11 105.19 113.94 2dkr n GLY 89 Ca -0.03 -0.27 -0.41 0.00 0.00 0.00 0.00 46.02 45.32 2dkr n GLY 89 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dkr s PRO 90 N -1.36 4.44 0.11 1.61 0.04 -1.26 -5.00 135.00 133.58 2dkr s PRO 90 Ca 0.00 2.05 -0.30 0.00 0.04 0.00 0.00 61.00 62.79 2dkr s PRO 90 Cb 0.00 -3.15 -0.06 0.00 0.04 0.00 0.00 34.50 31.33 2dkr s PRO 90 CO 0.00 -0.12 1.00 -1.54 0.04 0.00 0.00 177.00 176.39 2dkr s SER 91 N -0.26 7.42 -0.02 6.66 1.04 -1.26 -5.05 113.70 122.23 2dkr s SER 91 Ca 0.51 1.85 0.04 0.00 0.48 0.00 0.00 55.95 58.82 2dkr s SER 91 Cb -0.37 -2.59 -0.01 0.00 0.10 0.00 0.00 66.02 63.16 2dkr s SER 91 CO 0.44 -0.14 -0.13 -0.55 0.98 0.00 0.00 173.24 173.85 2dkr s SER 92 N 0.15 1.51 0.00 7.02 0.15 -1.26 -5.37 113.70 115.90 2dkr s SER 92 Ca 0.49 -0.23 0.00 0.00 0.70 0.00 0.00 55.95 56.90 2dkr s SER 92 Cb -0.25 -0.24 0.00 0.00 -1.71 0.00 0.00 66.02 63.83 2dkr s SER 92 CO 0.31 0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.50