#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 -0.34 -0.46 1.61 0.87 -2.12 -1.45 113.55 111.67 2dkr h SER 2 Ca 0.00 0.16 0.09 0.00 -1.23 0.00 0.00 61.79 60.81 2dkr h SER 2 Cb 0.00 0.30 -0.10 0.00 -0.44 0.00 0.00 62.40 62.16 2dkr h SER 2 CO 0.00 -0.14 -0.32 -1.28 -0.53 0.00 0.00 176.83 174.56 2dkr h SER 3 N 0.09 -1.09 -4.20 6.23 0.87 -2.15 -3.48 113.55 109.83 2dkr h SER 3 Ca 0.32 0.20 0.00 0.00 -1.23 0.00 0.00 61.79 61.08 2dkr h SER 3 Cb 0.52 0.52 0.00 0.00 -0.44 0.00 0.00 62.40 63.01 2dkr h SER 3 CO -0.56 -0.31 -0.96 0.61 -0.53 0.00 0.00 176.83 175.08 2dkr n GLY 4 N -1.42 -4.93 3.35 5.77 0.00 -0.55 -5.07 105.19 102.34 2dkr n GLY 4 Ca 0.02 -0.53 -0.18 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.62 1.53 0.69 1.61 1.04 -1.26 -5.03 113.70 109.66 2dkr s SER 5 Ca 0.00 -1.50 -0.11 0.00 0.48 0.00 0.00 55.95 54.82 2dkr s SER 5 Cb 0.00 0.30 0.01 0.00 0.10 0.00 0.00 66.02 66.43 2dkr s SER 5 CO 0.00 -0.82 1.06 -0.94 0.98 0.00 0.00 173.24 173.52 2dkr s SER 6 N -3.37 5.45 -0.80 7.02 1.04 -1.26 -4.88 113.70 116.89 2dkr s SER 6 Ca 0.36 1.47 -0.26 0.00 0.48 0.00 0.00 55.95 57.99 2dkr s SER 6 Cb 0.06 -2.36 -0.14 0.00 0.10 0.00 0.00 66.02 63.69 2dkr s SER 6 CO 0.16 -1.38 2.40 -0.83 0.98 0.00 0.00 173.24 174.56 2dkr s GLY 7 N -3.97 -0.80 -0.13 7.32 0.00 -1.23 -4.90 107.32 103.61 2dkr s GLY 7 Ca 0.58 -0.83 -0.25 0.00 0.00 0.00 0.00 44.72 44.22 2dkr s GLY 7 CO 0.54 4.21 0.81 0.14 0.00 0.00 0.00 173.10 178.81 2dkr s VAL 8 N 14.69 4.92 -0.24 1.40 1.01 -1.26 -3.49 120.40 137.43 2dkr s VAL 8 Ca 0.92 1.62 -0.03 0.00 0.00 0.00 0.00 61.98 64.49 2dkr s VAL 8 Cb -0.13 -4.13 0.01 0.00 0.00 0.00 0.00 36.38 32.13 2dkr s VAL 8 CO 0.08 0.09 -0.04 -0.69 0.00 0.00 0.00 175.10 174.53 2dkr s VAL 9 N 1.77 3.22 -0.25 2.92 1.01 -0.00 -5.01 120.40 124.07 2dkr s VAL 9 Ca 0.39 -0.70 -0.05 0.00 0.00 0.00 0.00 61.98 61.61 2dkr s VAL 9 Cb -0.17 -2.54 -0.00 0.00 0.00 0.00 0.00 36.38 33.67 2dkr s VAL 9 CO 0.15 0.32 0.02 -0.70 0.00 0.00 0.00 175.10 174.89 2dkr s GLU 10 N 1.42 3.30 0.03 2.72 -6.30 -1.26 -0.55 118.70 118.07 2dkr s GLU 10 Ca 0.04 -0.69 0.08 0.00 -2.50 0.00 0.00 54.97 51.90 2dkr s GLU 10 Cb -0.15 -3.19 -0.03 0.00 0.00 0.00 0.00 34.13 30.76 2dkr s GLU 10 CO -0.03 -0.29 -0.24 -0.51 0.02 0.00 0.00 175.26 174.21 2dkr s LEU 11 N 1.50 2.28 -0.01 2.70 1.43 -0.98 -5.01 118.68 120.59 2dkr s LEU 11 Ca 0.04 -0.52 -0.30 0.00 -1.03 0.00 0.00 54.13 52.32 2dkr s LEU 11 Cb -0.16 -1.36 -0.06 0.00 0.03 0.00 0.00 46.19 44.65 2dkr s LEU 11 CO -0.00 0.27 1.46 -2.16 0.23 0.00 0.00 176.35 176.15 2dkr s PRO 12 N -1.17 4.25 -0.51 1.29 0.04 -1.26 -2.21 135.00 135.43 2dkr s PRO 12 Ca 0.12 2.02 -0.27 0.00 0.04 0.00 0.00 61.00 62.91 2dkr s PRO 12 Cb -0.10 -3.65 -0.01 0.00 0.04 0.00 0.00 34.50 30.78 2dkr s PRO 12 CO 0.02 -0.64 1.74 0.21 0.04 0.00 0.00 177.00 178.37 2dkr s LYS 13 N 2.74 3.00 -0.03 4.56 2.47 -1.07 -4.92 119.74 126.50 2dkr s LYS 13 Ca 0.66 0.85 -0.01 0.00 -1.56 0.00 0.00 55.97 55.90 2dkr s LYS 13 Cb -0.32 -4.27 0.02 0.00 -1.46 0.00 0.00 37.83 31.80 2dkr s LYS 13 CO 0.27 -2.28 0.07 0.95 0.16 0.00 0.00 175.35 174.52 2dkr s THR 14 N 7.73 -0.03 0.31 3.43 -4.23 -1.26 -4.47 115.64 117.12 2dkr s THR 14 Ca 0.68 0.11 0.12 0.00 -1.18 0.00 0.00 61.69 61.43 2dkr s THR 14 Cb -0.15 -0.12 0.34 0.00 1.34 0.00 0.00 72.50 73.91 2dkr s THR 14 CO 0.26 0.05 1.43 -0.90 -0.54 0.00 0.00 174.62 174.91 2dkr n ASP 15 N 3.67 0.15 -0.28 3.99 5.75 -1.26 0.23 116.55 128.80 2dkr n ASP 15 Ca -0.20 1.52 0.16 0.00 -0.01 0.00 0.00 54.79 56.25 2dkr n ASP 15 Cb 0.55 -0.67 0.31 0.00 -1.03 0.00 0.00 41.12 40.28 2dkr n ASP 15 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2dkr n GLU 16 N -5.16 -0.06 0.00 0.11 -0.58 -1.26 -4.89 120.64 108.80 2dkr n GLU 16 Ca 0.29 1.23 0.00 0.00 -0.42 0.00 0.00 57.16 58.26 2dkr n GLU 16 Cb 0.99 -2.01 0.00 0.00 -0.57 0.00 0.00 31.44 29.85 2dkr n GLU 16 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2dkr n GLY 17 N -1.37 0.38 0.05 0.62 0.00 0.13 -4.92 105.19 100.08 2dkr n GLY 17 Ca 0.23 -2.29 -0.06 0.00 0.00 0.00 0.00 46.02 43.89 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 2.36 -0.20 0.99 7.99 -1.26 -4.68 117.00 122.20 2dkr n LEU 18 Ca 0.00 -0.04 0.00 0.00 -0.01 0.00 0.00 56.01 55.96 2dkr n LEU 18 Cb 0.00 -0.23 0.00 0.00 -0.11 0.00 0.00 43.42 43.08 2dkr n LEU 18 CO 0.00 0.56 0.00 0.61 -1.51 0.00 0.00 177.39 177.05 2dkr n GLY 19 N 2.93 0.98 3.15 -0.72 0.00 -1.26 0.15 105.19 110.42 2dkr n GLY 19 Ca -0.16 -0.27 -0.12 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.40 -0.14 -0.03 1.61 -0.12 -1.26 -0.29 117.98 115.36 2dkr s PHE 20 Ca 0.00 0.27 0.06 0.00 -0.05 0.00 0.00 56.93 57.22 2dkr s PHE 20 Cb 0.00 0.04 -0.01 0.00 -0.63 0.00 0.00 43.02 42.42 2dkr s PHE 20 CO 0.00 -0.25 -0.21 -0.80 -0.05 0.00 0.00 175.22 173.91 2dkr s ASN 21 N -0.78 2.55 0.22 1.98 -0.87 0.18 -4.96 114.94 113.25 2dkr s ASN 21 Ca -0.09 -0.40 0.10 0.00 -1.57 0.00 0.00 52.86 50.89 2dkr s ASN 21 Cb -0.05 -0.45 -0.05 0.00 -0.02 0.00 0.00 41.25 40.69 2dkr s ASN 21 CO 0.02 0.24 -0.18 0.27 -2.57 0.00 0.00 177.10 174.88 2dkr s ILE 22 N -0.33 2.04 -0.07 0.60 -4.36 -1.26 0.71 121.20 118.53 2dkr s ILE 22 Ca 0.04 -2.18 -0.20 0.00 -0.26 0.00 0.00 60.65 58.05 2dkr s ILE 22 Cb -0.10 -2.07 0.04 0.00 1.25 0.00 0.00 42.46 41.58 2dkr s ILE 22 CO 0.01 -0.42 0.47 0.00 0.24 0.00 0.00 174.94 175.24 2dkr s MET 23 N -3.29 0.76 0.00 0.37 0.23 -1.13 -4.76 119.30 111.48 2dkr s MET 23 Ca 0.23 0.19 0.00 0.00 -1.03 0.00 0.00 55.69 55.08 2dkr s MET 23 Cb -0.04 0.35 0.00 0.00 -1.53 0.00 0.00 34.83 33.61 2dkr s MET 23 CO 0.09 -0.19 0.00 0.41 -2.03 0.00 0.00 175.02 173.30 2dkr n GLY 24 N 1.62 0.66 0.00 3.16 0.00 -1.26 -3.99 105.19 105.37 2dkr n GLY 24 Ca -0.18 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.13 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 0.78 -2.01 0.11 -0.02 0.00 0.21 -4.37 105.19 99.88 2dkr n GLY 25 Ca 0.00 0.66 -0.13 0.00 0.00 0.00 0.00 46.02 46.55 2dkr n GLY 25 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2dkr n LYS 26 N 0.00 0.68 -1.48 1.61 2.85 -1.26 -3.04 118.16 117.52 2dkr n LYS 26 Ca 0.00 0.06 -0.50 0.00 -1.05 0.00 0.00 58.31 56.82 2dkr n LYS 26 Cb 0.00 -1.53 -0.07 0.00 -0.65 0.00 0.00 35.03 32.78 2dkr n LYS 26 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2dkr n GLU 27 N -2.94 1.22 -3.44 -1.58 1.02 -1.26 -0.58 120.64 113.08 2dkr n GLU 27 Ca -0.37 0.34 -0.25 0.00 -0.02 0.00 0.00 57.16 56.86 2dkr n GLU 27 Cb 1.10 -2.54 0.02 0.00 -0.02 0.00 0.00 31.44 30.00 2dkr n GLU 27 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2dkr n GLN 28 N 8.12 -4.65 -3.91 3.49 1.13 -1.26 -1.24 117.38 119.06 2dkr n GLN 28 Ca 0.39 0.65 -0.28 0.00 -1.94 0.00 0.00 57.00 55.82 2dkr n GLN 28 Cb 0.25 -5.47 0.02 0.00 0.11 0.00 0.00 30.24 25.15 2dkr n GLN 28 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 2dkr n ASN 29 N -2.55 -3.20 -4.70 1.08 3.02 0.26 -4.91 115.26 104.26 2dkr n ASN 29 Ca -0.02 -0.84 -0.42 0.00 -0.03 0.00 0.00 54.58 53.26 2dkr n ASN 29 Cb 0.56 -3.69 -0.03 0.00 -0.61 0.00 0.00 39.78 36.01 2dkr n ASN 29 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2dkr s SER 30 N -3.69 7.27 0.40 6.41 0.01 -0.38 -4.95 113.70 118.77 2dkr s SER 30 Ca 0.43 1.70 -0.25 0.00 1.31 0.00 0.00 55.95 59.14 2dkr s SER 30 Cb -0.22 -2.57 -0.08 0.00 0.21 0.00 0.00 66.02 63.36 2dkr s SER 30 CO 0.84 -0.36 1.19 -2.16 0.41 0.00 0.00 173.24 173.17 2dkr s PRO 31 N 1.31 4.05 -0.05 12.44 0.04 -1.26 -0.62 135.00 150.91 2dkr s PRO 31 Ca 0.53 1.89 -0.30 0.00 0.04 0.00 0.00 61.00 63.16 2dkr s PRO 31 Cb -0.22 -2.70 -0.03 0.00 0.04 0.00 0.00 34.50 31.59 2dkr s PRO 31 CO 0.26 -0.33 1.09 0.42 0.04 0.00 0.00 177.00 178.47 2dkr s ILE 32 N -1.38 4.54 0.24 0.56 1.01 -1.26 -4.40 121.20 120.51 2dkr s ILE 32 Ca 0.57 1.83 -0.18 0.00 0.00 0.00 0.00 60.65 62.87 2dkr s ILE 32 Cb -0.32 -4.17 0.02 0.00 0.01 0.00 0.00 42.46 38.00 2dkr s ILE 32 CO 0.40 0.04 0.60 -0.72 0.00 0.00 0.00 174.94 175.26 2dkr s TYR 33 N 1.81 -0.03 -0.34 3.97 -0.85 -1.26 0.80 117.35 121.45 2dkr s TYR 33 Ca 0.53 -0.36 -0.29 0.00 -0.52 0.00 0.00 57.07 56.42 2dkr s TYR 33 Cb -0.22 0.47 0.01 0.00 0.38 0.00 0.00 41.96 42.61 2dkr s TYR 33 CO 0.22 -1.07 1.19 0.42 -1.52 0.00 0.00 175.55 174.79 2dkr s ILE 34 N -3.93 4.29 -0.05 -3.49 -1.09 -0.47 -2.82 121.20 113.65 2dkr s ILE 34 Ca 0.13 1.45 -0.24 0.00 -2.23 0.00 0.00 60.65 59.76 2dkr s ILE 34 Cb -0.03 -4.34 -0.24 0.00 -1.58 0.00 0.00 42.46 36.27 2dkr s ILE 34 CO 0.04 -0.58 1.03 0.77 -1.23 0.00 0.00 174.94 174.98 2dkr h SER 35 N 8.83 0.26 -4.24 3.58 4.64 -0.01 -0.46 113.55 126.15 2dkr h SER 35 Ca -0.23 -0.78 -0.13 0.00 -0.47 0.00 0.00 61.79 60.18 2dkr h SER 35 Cb 1.08 -0.08 -0.23 0.00 -0.31 0.00 0.00 62.40 62.86 2dkr h SER 35 CO 1.05 1.00 -0.28 -0.60 -0.87 0.00 0.00 176.83 177.13 2dkr s ARG 36 N -3.11 0.51 -0.05 4.77 3.00 -0.99 -4.82 118.95 118.26 2dkr s ARG 36 Ca -0.16 0.27 0.03 0.00 -1.00 0.00 0.00 55.73 54.88 2dkr s ARG 36 Cb 0.01 0.24 -0.03 0.00 0.00 0.00 0.00 34.95 35.17 2dkr s ARG 36 CO 0.75 -0.10 -0.12 0.08 0.00 0.00 0.00 175.30 175.92 2dkr s VAL 37 N -0.32 3.28 -0.05 7.11 1.01 -1.26 0.49 120.40 130.66 2dkr s VAL 37 Ca -0.05 -0.68 -0.30 0.00 0.00 0.00 0.00 61.98 60.95 2dkr s VAL 37 Cb -0.03 -2.32 -0.04 0.00 0.00 0.00 0.00 36.38 33.98 2dkr s VAL 37 CO 0.02 0.56 1.36 -0.63 0.00 0.00 0.00 175.10 176.41 2dkr s ILE 38 N -0.79 3.93 -2.00 2.22 -1.09 0.61 -4.88 121.20 119.20 2dkr s ILE 38 Ca 0.12 1.25 0.11 0.00 -2.23 0.00 0.00 60.65 59.90 2dkr s ILE 38 Cb -0.11 -3.80 0.31 0.00 -1.58 0.00 0.00 42.46 37.28 2dkr s ILE 38 CO 0.02 -0.04 1.09 -0.81 -1.23 0.00 0.00 174.94 173.97 2dkr n PRO 39 N 5.82 0.49 -2.69 2.79 -0.04 -1.26 -3.30 135.00 136.80 2dkr n PRO 39 Ca 0.13 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.52 2dkr n PRO 39 Cb 0.44 -1.35 0.10 0.00 -0.04 0.00 0.00 33.50 32.65 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 1.39 0.00 0.55 0.00 -1.26 -5.01 105.19 100.84 2dkr n GLY 40 Ca 0.08 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.48 5.11 0.13 -0.02 0.00 -1.21 -5.06 105.19 103.67 2dkr n GLY 41 Ca -0.00 -1.83 -0.19 0.00 0.00 0.00 0.00 46.02 44.00 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 0.69 -0.33 1.61 2.07 -1.34 -3.32 116.25 115.64 2dkr h VAL 42 Ca 0.00 -2.43 -0.05 0.00 0.82 0.00 0.00 66.70 65.04 2dkr h VAL 42 Cb 0.00 2.51 -0.01 0.00 -1.52 0.00 0.00 31.29 32.27 2dkr h VAL 42 CO 0.00 0.82 0.02 0.00 0.02 0.00 0.00 177.57 178.43 2dkr h ALA 43 N 0.27 0.44 -0.67 1.67 0.00 -0.56 -1.69 119.26 118.72 2dkr h ALA 43 Ca -0.39 -0.23 0.06 0.00 0.00 0.00 0.00 54.91 54.36 2dkr h ALA 43 Cb 2.03 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 19.65 2dkr h ALA 43 CO 0.09 0.18 0.37 0.22 0.00 0.00 0.00 179.25 180.11 2dkr h ASP 44 N 0.38 0.54 0.02 0.00 1.82 -1.76 -1.58 116.42 115.84 2dkr h ASP 44 Ca 0.10 0.03 -0.00 0.00 -0.39 0.00 0.00 57.03 56.77 2dkr h ASP 44 Cb 0.41 -0.07 0.00 0.00 0.68 0.00 0.00 39.33 40.35 2dkr h ASP 44 CO 0.01 0.35 -0.01 0.03 -1.61 0.00 0.00 179.24 178.01 2dkr h ARG 45 N 0.67 -0.03 -0.73 0.28 3.08 -1.63 -3.09 114.38 112.93 2dkr h ARG 45 Ca 0.30 0.00 0.15 0.00 0.07 0.00 0.00 59.98 60.50 2dkr h ARG 45 Cb 0.20 0.01 -0.10 0.00 0.08 0.00 0.00 29.97 30.15 2dkr h ARG 45 CO -0.19 0.25 0.23 1.25 -1.07 0.00 0.00 179.97 180.45 2dkr h HIS 46 N -0.31 0.38 -2.81 3.04 2.76 -0.98 -3.47 115.15 113.77 2dkr h HIS 46 Ca -0.00 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 2dkr h HIS 46 Cb 0.29 -0.06 0.00 0.00 1.55 0.00 0.00 27.41 29.20 2dkr h HIS 46 CO 0.02 -0.01 0.00 0.41 -1.30 0.00 0.00 177.93 177.05 2dkr n GLY 47 N -1.34 0.76 0.25 5.26 0.00 -0.62 -5.00 105.19 104.50 2dkr n GLY 47 Ca 0.14 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.34 0.12 3.76 -0.02 0.00 -1.26 -5.11 105.19 101.35 2dkr n GLY 48 Ca 0.00 -0.09 -0.38 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 -3.25 4.37 0.07 0.99 1.43 -1.26 -5.01 118.68 116.01 2dkr s LEU 49 Ca 0.00 1.01 -0.12 0.00 -1.03 0.00 0.00 54.13 53.99 2dkr s LEU 49 Cb 0.00 -2.80 0.01 0.00 0.03 0.00 0.00 46.19 43.44 2dkr s LEU 49 CO 0.00 0.09 0.27 -0.54 0.23 0.00 0.00 176.35 176.41 2dkr s LYS 50 N -0.00 0.84 0.16 1.70 1.02 -1.26 -4.72 119.74 117.48 2dkr s LYS 50 Ca 0.28 -0.67 -0.33 0.00 0.02 0.00 0.00 55.97 55.27 2dkr s LYS 50 Cb -0.17 0.36 -0.13 0.00 -0.52 0.00 0.00 37.83 37.37 2dkr s LYS 50 CO 0.14 -0.28 1.64 -2.13 -0.92 0.00 0.00 175.35 173.81 2dkr n ARG 51 N 0.30 2.36 0.00 1.68 0.63 -1.26 -2.50 116.66 117.87 2dkr n ARG 51 Ca -0.17 0.85 0.00 0.00 -0.92 0.00 0.00 57.85 57.61 2dkr n ARG 51 Cb 0.61 -2.65 0.00 0.00 0.45 0.00 0.00 32.46 30.86 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 3.65 2.73 3.67 5.14 0.00 -0.18 -4.95 105.19 115.25 2dkr n GLY 52 Ca 0.17 -0.94 -0.51 0.00 0.00 0.00 0.00 46.02 44.74 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 0.14 2.77 -4.63 1.61 8.00 -1.04 -4.54 116.55 118.86 2dkr n ASP 53 Ca 0.00 1.05 -0.41 0.00 0.71 0.00 0.00 54.79 56.14 2dkr n ASP 53 Cb 0.00 -1.29 -0.06 0.00 -0.02 0.00 0.00 41.12 39.75 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 2.61 4.15 -0.25 -1.24 0.74 -1.26 -1.37 119.66 123.03 2dkr s GLN 54 Ca 0.90 0.70 -0.28 0.00 0.05 0.00 0.00 55.36 56.73 2dkr s GLN 54 Cb -0.84 -3.64 -0.05 0.00 1.10 0.00 0.00 33.01 29.59 2dkr s GLN 54 CO 0.51 -0.44 2.17 -1.17 -0.55 0.00 0.00 175.29 175.82 2dkr s LEU 55 N 2.58 3.44 -0.11 3.68 2.96 0.24 -3.53 118.68 127.93 2dkr s LEU 55 Ca 0.30 1.75 -0.04 0.00 -0.22 0.00 0.00 54.13 55.91 2dkr s LEU 55 Cb -0.15 -3.46 -0.01 0.00 0.50 0.00 0.00 46.19 43.07 2dkr s LEU 55 CO 0.08 -1.98 -0.09 -0.07 -1.32 0.00 0.00 176.35 172.97 2dkr h LEU 56 N 15.16 0.00 -7.36 -0.68 3.38 -1.69 -3.40 115.31 120.72 2dkr h LEU 56 Ca -0.39 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.46 2dkr h LEU 56 Cb 1.23 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.76 2dkr h LEU 56 CO 0.98 0.57 -0.22 -0.44 0.09 0.00 0.00 178.44 179.42 2dkr s SER 57 N -5.41 -0.36 -0.02 -0.43 0.01 -1.25 -2.17 113.70 104.07 2dkr s SER 57 Ca -0.07 0.56 0.07 0.00 1.31 0.00 0.00 55.95 57.82 2dkr s SER 57 Cb 0.01 0.63 -0.02 0.00 0.21 0.00 0.00 66.02 66.85 2dkr s SER 57 CO 0.11 -0.28 -0.23 -0.69 0.41 0.00 0.00 173.24 172.55 2dkr s VAL 58 N -0.41 1.86 -1.35 3.43 1.01 -0.37 -1.05 120.40 123.51 2dkr s VAL 58 Ca -0.05 -1.00 -0.08 0.00 0.00 0.00 0.00 61.98 60.85 2dkr s VAL 58 Cb -0.03 -1.55 0.05 0.00 0.00 0.00 0.00 36.38 34.85 2dkr s VAL 58 CO 0.02 0.52 0.52 0.59 0.00 0.00 0.00 175.10 176.76 2dkr n ASN 59 N 2.59 -4.33 -1.40 3.32 4.13 -0.41 -0.34 115.26 118.82 2dkr n ASN 59 Ca -0.16 -0.36 -0.11 0.00 1.68 0.00 0.00 54.58 55.63 2dkr n ASN 59 Cb 0.52 -3.55 0.00 0.00 -1.54 0.00 0.00 39.78 35.21 2dkr n ASN 59 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2dkr n GLY 60 N -1.26 -0.04 2.94 7.41 0.00 -1.26 -5.02 105.19 107.96 2dkr n GLY 60 Ca -0.04 -0.39 -0.26 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.66 1.05 -0.34 1.61 1.01 0.54 -5.09 120.40 116.51 2dkr s VAL 61 Ca 0.05 -0.34 -0.28 0.00 0.00 0.00 0.00 61.98 61.42 2dkr s VAL 61 Cb -0.02 -1.03 -0.03 0.00 0.00 0.00 0.00 36.38 35.29 2dkr s VAL 61 CO 0.07 0.36 2.01 -0.55 0.00 0.00 0.00 175.10 176.99 2dkr s SER 62 N 1.38 5.52 0.10 3.32 0.15 -1.26 -1.24 113.70 121.67 2dkr s SER 62 Ca -0.01 1.36 0.22 0.00 0.70 0.00 0.00 55.95 58.23 2dkr s SER 62 Cb -0.14 -2.52 -0.08 0.00 -1.71 0.00 0.00 66.02 61.58 2dkr s SER 62 CO -0.05 -2.00 0.88 1.33 1.20 0.00 0.00 173.24 174.61 2dkr n VAL 63 N 7.57 0.33 -0.34 4.45 0.24 -0.92 -4.20 118.33 125.47 2dkr n VAL 63 Ca 0.26 -0.46 0.11 0.00 -2.04 0.00 0.00 64.34 62.21 2dkr n VAL 63 Cb 0.48 -0.11 0.31 0.00 -1.47 0.00 0.00 33.84 33.05 2dkr n VAL 63 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 2dkr h GLU 64 N 0.00 0.80 -1.41 7.34 5.08 -1.69 -1.18 114.58 123.52 2dkr h GLU 64 Ca 0.00 -0.05 -0.65 0.00 -1.00 0.00 0.00 59.36 57.66 2dkr h GLU 64 Cb 0.93 -0.18 -0.26 0.00 0.50 0.00 0.00 28.75 29.74 2dkr h GLU 64 CO 0.00 0.53 0.84 0.41 -1.00 0.00 0.00 179.01 179.79 2dkr n GLY 65 N -1.37 5.46 3.63 -3.84 0.00 -1.26 -4.93 105.19 102.88 2dkr n GLY 65 Ca 0.20 -2.18 -0.11 0.00 0.00 0.00 0.00 46.02 43.93 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 -3.51 1.90 0.43 1.61 0.41 -0.45 -5.13 118.70 113.97 2dkr s GLU 66 Ca 0.57 -1.48 -0.21 0.00 -0.41 0.00 0.00 54.97 53.44 2dkr s GLU 66 Cb 0.45 0.52 -0.11 0.00 -1.78 0.00 0.00 34.13 33.21 2dkr s GLU 66 CO -0.14 -0.83 0.95 -0.65 -0.49 0.00 0.00 175.26 174.11 2dkr s GLN 67 N -3.15 4.22 0.19 1.61 1.11 -1.26 -4.79 119.66 117.59 2dkr s GLN 67 Ca 0.23 1.14 -0.18 0.00 0.01 0.00 0.00 55.36 56.55 2dkr s GLN 67 Cb -0.02 -2.19 0.15 0.00 -1.01 0.00 0.00 33.01 29.93 2dkr s GLN 67 CO 0.14 -0.04 1.61 1.25 0.01 0.00 0.00 175.29 178.26 2dkr h HIS 68 N 1.93 -0.62 -0.83 0.91 -0.00 -1.86 -1.24 115.15 113.43 2dkr h HIS 68 Ca -0.49 0.06 0.14 0.00 -0.00 0.00 0.00 60.37 60.08 2dkr h HIS 68 Cb 1.18 0.36 -0.14 0.00 -0.00 0.00 0.00 27.41 28.80 2dkr h HIS 68 CO 0.62 -0.32 -0.28 0.39 -0.00 0.00 0.00 177.93 178.33 2dkr n GLU 69 N -5.42 -0.15 -0.39 5.26 -0.58 -1.26 -0.22 120.64 117.88 2dkr n GLU 69 Ca 0.04 1.29 -0.09 0.00 -0.42 0.00 0.00 57.16 57.98 2dkr n GLU 69 Cb 0.33 -1.91 -0.07 0.00 -0.57 0.00 0.00 31.44 29.22 2dkr n GLU 69 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 2dkr n LYS 70 N -5.27 -0.38 -0.32 3.49 4.81 -0.47 0.24 118.16 120.25 2dkr n LYS 70 Ca 0.10 1.43 0.05 0.00 -0.87 0.00 0.00 58.31 59.02 2dkr n LYS 70 Cb 0.37 -2.10 0.14 0.00 0.02 0.00 0.00 35.03 33.46 2dkr n LYS 70 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2dkr h ALA 71 N 0.61 0.67 -0.37 3.14 0.00 -0.71 0.35 119.26 122.95 2dkr h ALA 71 Ca 0.18 0.34 -0.04 0.00 0.00 0.00 0.00 54.91 55.39 2dkr h ALA 71 Cb 0.42 0.66 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 2dkr h ALA 71 CO -0.89 -0.41 0.08 0.28 0.00 0.00 0.00 179.25 178.30 2dkr h VAL 72 N 0.01 1.23 -0.33 0.00 2.07 -0.22 -2.57 116.25 116.44 2dkr h VAL 72 Ca 0.45 -0.79 0.04 0.00 0.82 0.00 0.00 66.70 67.22 2dkr h VAL 72 Cb 0.73 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 31.50 2dkr h VAL 72 CO -0.91 0.27 0.10 -0.33 0.02 0.00 0.00 177.57 176.72 2dkr h GLU 73 N 0.45 0.23 0.32 1.57 5.08 0.15 -2.38 114.58 120.00 2dkr h GLU 73 Ca 0.11 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2dkr h GLU 73 Cb 0.32 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 2dkr h GLU 73 CO 0.00 0.15 -0.34 -0.07 -1.00 0.00 0.00 179.01 177.76 2dkr h LEU 74 N 0.23 -0.92 -0.56 1.33 3.38 -0.62 0.23 115.31 118.40 2dkr h LEU 74 Ca 0.15 0.08 0.09 0.00 0.09 0.00 0.00 57.88 58.29 2dkr h LEU 74 Cb 0.14 0.31 -0.10 0.00 0.09 0.00 0.00 40.66 41.10 2dkr h LEU 74 CO -0.17 -0.47 -0.42 -0.07 0.09 0.00 0.00 178.44 177.39 2dkr h LEU 75 N -0.69 -1.45 -1.00 1.67 3.38 -1.26 0.48 115.31 116.44 2dkr h LEU 75 Ca -0.02 0.24 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 2dkr h LEU 75 Cb 0.63 0.66 -0.04 0.00 0.09 0.00 0.00 40.66 42.01 2dkr h LEU 75 CO -0.07 -0.34 0.45 0.11 0.09 0.00 0.00 178.44 178.69 2dkr h LYS 76 N -0.23 1.16 -0.60 1.13 1.57 -1.24 -2.33 116.57 116.03 2dkr h LYS 76 Ca 0.18 -0.13 -0.03 0.00 -1.87 0.00 0.00 60.65 58.79 2dkr h LYS 76 Cb 0.56 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.62 2dkr h LYS 76 CO -0.67 0.85 0.23 0.00 -0.57 0.00 0.00 179.45 179.29 2dkr h ALA 77 N 1.34 1.29 -2.19 3.86 0.00 0.21 -3.44 119.26 120.33 2dkr h ALA 77 Ca 0.29 -0.16 -0.43 0.00 0.00 0.00 0.00 54.91 54.61 2dkr h ALA 77 Cb 0.03 -0.24 0.20 0.00 0.00 0.00 0.00 17.79 17.77 2dkr h ALA 77 CO -0.05 0.52 0.05 0.00 0.00 0.00 0.00 179.25 179.77 2dkr s ALA 78 N -5.39 -0.17 -0.07 0.00 0.00 0.14 -5.07 121.76 111.20 2dkr s ALA 78 Ca -0.10 -0.31 -0.25 0.00 0.00 0.00 0.00 51.96 51.30 2dkr s ALA 78 Cb 0.16 -3.17 0.06 0.00 0.00 0.00 0.00 23.12 20.17 2dkr s ALA 78 CO 0.79 -3.68 0.58 -0.65 0.00 0.00 0.00 175.76 172.80 2dkr s GLN 79 N -4.67 0.91 0.00 0.00 -0.21 -1.26 -4.95 119.66 109.47 2dkr s GLN 79 Ca 0.68 0.24 0.00 0.00 0.02 0.00 0.00 55.36 56.29 2dkr s GLN 79 Cb -0.22 0.43 0.00 0.00 1.00 0.00 0.00 33.01 34.22 2dkr s GLN 79 CO 0.62 -0.26 0.00 0.41 -2.12 0.00 0.00 175.29 173.95 2dkr n GLY 80 N 1.28 1.42 3.53 3.09 0.00 -1.26 -4.78 105.19 108.47 2dkr n GLY 80 Ca -0.19 -0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.45 -0.02 1.61 1.04 -1.26 -2.58 113.70 112.04 2dkr s SER 81 Ca 0.00 0.34 0.03 0.00 0.48 0.00 0.00 55.95 56.80 2dkr s SER 81 Cb 0.00 0.40 -0.00 0.00 0.10 0.00 0.00 66.02 66.52 2dkr s SER 81 CO 0.00 -0.52 -0.10 0.68 0.98 0.00 0.00 173.24 174.28 2dkr s VAL 82 N -1.84 0.82 -0.40 5.02 -7.23 -0.94 -4.81 120.40 111.02 2dkr s VAL 82 Ca -0.02 -0.40 -0.09 0.00 -1.81 0.00 0.00 61.98 59.65 2dkr s VAL 82 Cb -0.01 -0.71 0.06 0.00 0.56 0.00 0.00 36.38 36.29 2dkr s VAL 82 CO -0.00 0.24 0.23 -0.75 -0.31 0.00 0.00 175.10 174.51 2dkr s LYS 83 N 0.02 2.67 -0.15 4.82 2.20 -1.26 -2.31 119.74 125.73 2dkr s LYS 83 Ca -0.00 -1.31 -0.13 0.00 -0.36 0.00 0.00 55.97 54.17 2dkr s LYS 83 Cb -0.07 -3.73 -0.05 0.00 -1.51 0.00 0.00 37.83 32.47 2dkr s LYS 83 CO 0.00 -0.85 0.27 -0.51 -0.36 0.00 0.00 175.35 173.90 2dkr s LEU 84 N 1.46 4.27 -0.00 5.43 1.43 0.29 -1.28 118.68 130.27 2dkr s LEU 84 Ca 0.02 0.50 0.01 0.00 -1.03 0.00 0.00 54.13 53.63 2dkr s LEU 84 Cb -0.21 -2.33 -0.04 0.00 0.03 0.00 0.00 46.19 43.64 2dkr s LEU 84 CO 0.04 0.15 -0.00 -0.69 0.23 0.00 0.00 176.35 176.07 2dkr s VAL 85 N 0.23 4.13 0.09 -1.59 1.01 -0.22 -0.82 120.40 123.23 2dkr s VAL 85 Ca 0.16 -0.60 -0.16 0.00 0.00 0.00 0.00 61.98 61.37 2dkr s VAL 85 Cb -0.13 -2.83 0.03 0.00 0.00 0.00 0.00 36.38 33.45 2dkr s VAL 85 CO 0.04 0.39 0.39 0.68 0.00 0.00 0.00 175.10 176.60 2dkr s VAL 86 N -1.07 0.07 -0.29 2.92 -7.23 -1.23 -1.94 120.40 111.63 2dkr s VAL 86 Ca 0.19 -0.56 -0.12 0.00 -1.81 0.00 0.00 61.98 59.68 2dkr s VAL 86 Cb -0.11 -1.09 -0.04 0.00 0.56 0.00 0.00 36.38 35.69 2dkr s VAL 86 CO 0.10 -0.31 0.24 0.00 -0.31 0.00 0.00 175.10 174.82 2dkr s ARG 87 N -3.31 3.90 -0.17 4.82 1.70 -1.23 -3.51 118.95 121.15 2dkr s ARG 87 Ca -0.00 -0.28 -0.08 0.00 -0.47 0.00 0.00 55.73 54.90 2dkr s ARG 87 Cb 0.01 -3.68 -0.04 0.00 -0.57 0.00 0.00 34.95 30.67 2dkr s ARG 87 CO -0.08 -0.24 0.11 -1.12 -1.08 0.00 0.00 175.30 172.89 2dkr s SER 88 N 1.73 6.08 -0.09 -2.89 0.01 -1.26 -4.47 113.70 112.81 2dkr s SER 88 Ca 0.09 0.25 -0.31 0.00 1.31 0.00 0.00 55.95 57.29 2dkr s SER 88 Cb -0.16 -2.03 0.09 0.00 0.21 0.00 0.00 66.02 64.13 2dkr s SER 88 CO 0.11 0.24 0.81 -0.83 0.41 0.00 0.00 173.24 173.97 2dkr s GLY 89 N -0.01 -0.46 -1.04 3.44 0.00 -1.26 -5.00 107.32 102.99 2dkr s GLY 89 Ca 0.09 1.60 -0.24 0.00 0.00 0.00 0.00 44.72 46.17 2dkr s GLY 89 CO -0.00 0.99 1.94 2.56 0.00 0.00 0.00 173.10 178.59 2dkr s PRO 90 N -1.15 2.52 -0.17 2.90 0.04 -1.26 -4.72 135.00 133.16 2dkr s PRO 90 Ca -0.07 -0.72 -0.24 0.00 0.04 0.00 0.00 61.00 60.01 2dkr s PRO 90 Cb -0.00 -5.15 -0.21 0.00 0.04 0.00 0.00 34.50 29.18 2dkr s PRO 90 CO 0.07 -3.68 0.43 0.66 0.04 0.00 0.00 177.00 174.52 2dkr h SER 91 N 10.52 0.00 -3.78 6.66 4.64 -2.02 -3.47 113.55 126.11 2dkr h SER 91 Ca 0.16 -0.69 -0.47 0.00 -0.47 0.00 0.00 61.79 60.32 2dkr h SER 91 Cb 0.97 0.00 0.19 0.00 -0.31 0.00 0.00 62.40 63.25 2dkr h SER 91 CO 1.22 1.23 0.14 -0.44 -0.87 0.00 0.00 176.83 178.10 2dkr s SER 92 N -6.51 2.18 0.00 4.97 0.01 -1.26 -5.35 113.70 107.74 2dkr s SER 92 Ca -0.23 1.72 0.00 0.00 1.31 0.00 0.00 55.95 58.75 2dkr s SER 92 Cb 0.02 -2.35 0.00 0.00 0.21 0.00 0.00 66.02 63.89 2dkr s SER 92 CO 0.60 -3.49 0.00 0.61 0.41 0.00 0.00 173.24 171.38