#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 -1.96 -2.62 1.61 0.87 -2.02 -3.37 113.55 106.07 2dkr h SER 2 Ca 0.00 0.29 -0.56 0.00 -1.23 0.00 0.00 61.79 60.29 2dkr h SER 2 Cb 0.00 0.85 -0.02 0.00 -0.44 0.00 0.00 62.40 62.80 2dkr h SER 2 CO 0.00 -0.30 1.17 -0.55 -0.53 0.00 0.00 176.83 176.62 2dkr s SER 3 N -5.31 6.34 0.00 6.23 0.15 -1.26 -4.73 113.70 115.12 2dkr s SER 3 Ca -0.13 1.86 0.00 0.00 0.70 0.00 0.00 55.95 58.38 2dkr s SER 3 Cb 0.11 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.89 2dkr s SER 3 CO 0.63 -1.26 0.00 0.61 1.20 0.00 0.00 173.24 174.42 2dkr n GLY 4 N 4.67 0.72 3.70 9.45 0.00 -1.26 -5.07 105.19 117.41 2dkr n GLY 4 Ca 0.20 -1.80 -0.35 0.00 0.00 0.00 0.00 46.02 44.07 2dkr n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dkr s SER 5 N -4.00 5.98 0.29 1.61 0.01 -1.26 -4.99 113.70 111.34 2dkr s SER 5 Ca 0.00 0.18 0.03 0.00 1.31 0.00 0.00 55.95 57.47 2dkr s SER 5 Cb 0.00 -2.03 0.72 0.00 0.21 0.00 0.00 66.02 64.92 2dkr s SER 5 CO 0.00 0.19 1.67 -1.28 0.41 0.00 0.00 173.24 174.23 2dkr h SER 6 N 6.60 0.16 0.00 2.44 0.87 -1.90 -3.43 113.55 118.28 2dkr h SER 6 Ca -0.40 0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.34 2dkr h SER 6 Cb 1.16 0.20 0.00 0.00 -0.44 0.00 0.00 62.40 63.32 2dkr h SER 6 CO 0.73 -0.09 0.00 0.61 -0.53 0.00 0.00 176.83 177.55 2dkr n GLY 7 N -1.35 -0.61 3.68 5.77 0.00 -1.26 -4.65 105.19 106.77 2dkr n GLY 7 Ca 0.22 0.29 -0.43 0.00 0.00 0.00 0.00 46.02 46.11 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 4.53 -0.51 1.61 0.11 -1.26 -3.16 120.40 121.72 2dkr s VAL 8 Ca 0.00 1.83 -0.16 0.00 -2.93 0.00 0.00 61.98 60.72 2dkr s VAL 8 Cb 0.00 -4.18 0.10 0.00 -1.53 0.00 0.00 36.38 30.77 2dkr s VAL 8 CO 0.00 -0.04 0.46 -0.69 -3.33 0.00 0.00 175.10 171.50 2dkr s VAL 9 N 2.41 5.21 -0.47 2.04 1.01 0.11 -4.93 120.40 125.77 2dkr s VAL 9 Ca 0.51 -1.27 -0.18 0.00 0.00 0.00 0.00 61.98 61.04 2dkr s VAL 9 Cb -0.20 -4.24 0.05 0.00 0.00 0.00 0.00 36.38 31.99 2dkr s VAL 9 CO 0.17 -0.74 0.51 -0.70 0.00 0.00 0.00 175.10 174.35 2dkr s GLU 10 N 1.66 3.08 0.05 2.72 2.12 -1.26 -0.71 118.70 126.35 2dkr s GLU 10 Ca 0.04 -0.96 0.02 0.00 0.36 0.00 0.00 54.97 54.43 2dkr s GLU 10 Cb -0.27 -4.07 -0.04 0.00 0.26 0.00 0.00 34.13 30.02 2dkr s GLU 10 CO 0.05 -1.06 0.07 -0.51 -0.54 0.00 0.00 175.26 173.27 2dkr s LEU 11 N 2.24 3.80 -0.15 2.70 1.43 -1.07 -4.95 118.68 122.69 2dkr s LEU 11 Ca 0.12 0.04 -0.29 0.00 -1.03 0.00 0.00 54.13 52.96 2dkr s LEU 11 Cb -0.20 -2.38 -0.03 0.00 0.03 0.00 0.00 46.19 43.61 2dkr s LEU 11 CO 0.11 0.21 1.56 -2.16 0.23 0.00 0.00 176.35 176.30 2dkr s PRO 12 N -2.13 4.04 -0.34 1.29 0.04 -1.26 -1.79 135.00 134.84 2dkr s PRO 12 Ca 0.27 1.86 -0.28 0.00 0.04 0.00 0.00 61.00 62.88 2dkr s PRO 12 Cb -0.12 -3.96 -0.01 0.00 0.04 0.00 0.00 34.50 30.45 2dkr s PRO 12 CO 0.19 -1.00 1.75 0.21 0.04 0.00 0.00 177.00 178.19 2dkr s LYS 13 N 4.18 3.36 -0.08 4.56 2.47 -0.51 -4.91 119.74 128.82 2dkr s LYS 13 Ca 0.69 1.35 -0.04 0.00 -1.56 0.00 0.00 55.97 56.41 2dkr s LYS 13 Cb -0.27 -4.18 0.04 0.00 -1.46 0.00 0.00 37.83 31.96 2dkr s LYS 13 CO 0.26 -1.83 0.18 0.95 0.16 0.00 0.00 175.35 175.07 2dkr s THR 14 N 6.71 -0.05 0.26 3.43 -4.23 -1.26 -4.48 115.64 116.02 2dkr s THR 14 Ca 0.77 0.17 0.11 0.00 -1.18 0.00 0.00 61.69 61.56 2dkr s THR 14 Cb -0.21 -0.28 0.28 0.00 1.34 0.00 0.00 72.50 73.62 2dkr s THR 14 CO 0.33 0.07 1.17 -0.67 -0.54 0.00 0.00 174.62 174.98 2dkr n ASP 15 N 4.19 0.14 -0.30 3.99 -0.08 -1.26 0.45 116.55 123.68 2dkr n ASP 15 Ca -0.26 1.24 0.10 0.00 -1.51 0.00 0.00 54.79 54.35 2dkr n ASP 15 Cb 0.52 -0.55 0.20 0.00 2.34 0.00 0.00 41.12 43.63 2dkr n ASP 15 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2dkr n GLU 16 N -4.79 -0.07 0.00 -0.67 -0.58 -1.26 -4.89 120.64 108.38 2dkr n GLU 16 Ca 0.25 1.28 0.00 0.00 -0.42 0.00 0.00 57.16 58.26 2dkr n GLU 16 Cb 0.83 -1.98 0.00 0.00 -0.57 0.00 0.00 31.44 29.71 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 -1.46 1.56 0.11 0.62 0.00 0.17 -4.94 105.19 101.25 2dkr n GLY 17 Ca 0.17 -2.15 -0.15 0.00 0.00 0.00 0.00 46.02 43.90 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 -0.14 0.99 7.99 -1.26 -4.63 117.00 122.31 2dkr n LEU 18 Ca 0.00 -0.10 0.00 0.00 -0.01 0.00 0.00 56.01 55.90 2dkr n LEU 18 Cb 0.00 -0.56 0.00 0.00 -0.11 0.00 0.00 43.42 42.75 2dkr n LEU 18 CO 0.00 0.80 0.00 0.61 -1.51 0.00 0.00 177.39 177.29 2dkr n GLY 19 N 2.27 1.10 3.14 -0.72 0.00 -1.26 -0.07 105.19 109.65 2dkr n GLY 19 Ca -0.39 -0.29 -0.13 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.27 -0.26 0.07 1.61 -0.12 -1.26 -2.06 117.98 113.69 2dkr s PHE 20 Ca 0.00 0.62 0.07 0.00 -0.05 0.00 0.00 56.93 57.57 2dkr s PHE 20 Cb 0.00 0.09 -0.04 0.00 -0.63 0.00 0.00 43.02 42.44 2dkr s PHE 20 CO 0.00 -0.15 -0.14 -0.80 -0.05 0.00 0.00 175.22 174.08 2dkr s ASN 21 N 0.01 4.11 -0.01 1.98 0.01 0.08 -5.01 114.94 116.12 2dkr s ASN 21 Ca -0.01 -0.40 0.03 0.00 -0.71 0.00 0.00 52.86 51.77 2dkr s ASN 21 Cb -0.02 -0.74 -0.00 0.00 0.41 0.00 0.00 41.25 40.90 2dkr s ASN 21 CO 0.01 0.22 -0.09 0.27 -1.51 0.00 0.00 177.10 176.00 2dkr s ILE 22 N -1.06 0.73 0.15 0.60 -4.36 -1.26 0.03 121.20 116.02 2dkr s ILE 22 Ca 0.18 -0.38 0.07 0.00 -0.26 0.00 0.00 60.65 60.26 2dkr s ILE 22 Cb -0.11 -0.62 -0.04 0.00 1.25 0.00 0.00 42.46 42.94 2dkr s ILE 22 CO 0.09 0.21 -0.17 0.00 0.24 0.00 0.00 174.94 175.31 2dkr s MET 23 N -0.12 1.17 0.00 0.37 0.23 -1.24 -4.87 119.30 114.83 2dkr s MET 23 Ca 0.02 -1.33 0.00 0.00 -1.03 0.00 0.00 55.69 53.35 2dkr s MET 23 Cb -0.05 -1.16 0.00 0.00 -1.53 0.00 0.00 34.83 32.09 2dkr s MET 23 CO -0.00 0.23 0.00 0.41 -2.03 0.00 0.00 175.02 173.63 2dkr n GLY 24 N 0.41 0.66 0.00 3.16 0.00 -1.26 -4.29 105.19 103.86 2dkr n GLY 24 Ca -0.14 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.16 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 0.00 0.63 3.62 -0.02 0.00 -1.26 -4.33 105.19 103.84 2dkr n GLY 25 Ca 0.00 -0.59 -0.27 0.00 0.00 0.00 0.00 46.02 45.16 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 -4.88 -0.04 1.61 3.00 -1.26 -3.01 118.16 113.58 2dkr n LYS 26 Ca 0.00 0.62 -0.05 0.00 -0.00 0.00 0.00 58.31 58.87 2dkr n LYS 26 Cb 0.00 -5.46 -0.05 0.00 0.00 0.00 0.00 35.03 29.52 2dkr n LYS 26 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2dkr n GLU 27 N -4.33 1.14 -0.18 1.64 -0.58 -1.26 -4.68 120.64 112.39 2dkr n GLU 27 Ca 0.00 0.03 0.08 0.00 -0.42 0.00 0.00 57.16 56.86 2dkr n GLU 27 Cb 0.54 -1.18 0.16 0.00 -0.57 0.00 0.00 31.44 30.39 2dkr n GLU 27 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2dkr n GLN 28 N -2.59 2.15 -3.27 3.49 10.64 -1.26 -4.97 117.38 121.56 2dkr n GLN 28 Ca -0.15 -2.47 -0.17 0.00 -1.83 0.00 0.00 57.00 52.38 2dkr n GLN 28 Cb 0.69 -1.52 0.07 0.00 -0.86 0.00 0.00 30.24 28.62 2dkr n GLN 28 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52 2dkr n ASN 29 N -0.87 -3.98 -4.03 2.61 2.85 -1.26 -5.03 115.26 105.55 2dkr n ASN 29 Ca 0.15 -0.46 -0.13 0.00 -0.11 0.00 0.00 54.58 54.04 2dkr n ASN 29 Cb 0.65 -4.15 -0.12 0.00 1.24 0.00 0.00 39.78 37.40 2dkr n ASN 29 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 2dkr s SER 30 N -3.62 0.71 0.51 1.20 0.01 -1.26 -5.08 113.70 106.17 2dkr s SER 30 Ca 0.26 -0.48 -0.21 0.00 1.31 0.00 0.00 55.95 56.83 2dkr s SER 30 Cb -0.12 0.04 -0.06 0.00 0.21 0.00 0.00 66.02 66.08 2dkr s SER 30 CO 0.58 -0.19 1.14 -2.16 0.41 0.00 0.00 173.24 173.03 2dkr s PRO 31 N -1.37 3.52 0.05 12.44 0.04 -1.26 -4.10 135.00 144.31 2dkr s PRO 31 Ca -0.10 1.67 -0.30 0.00 0.04 0.00 0.00 61.00 62.31 2dkr s PRO 31 Cb -0.09 -2.17 -0.05 0.00 0.04 0.00 0.00 34.50 32.24 2dkr s PRO 31 CO 0.00 -0.73 1.13 0.42 0.04 0.00 0.00 177.00 177.87 2dkr s ILE 32 N -1.68 4.27 0.34 0.56 1.01 -1.26 -4.85 121.20 119.58 2dkr s ILE 32 Ca 0.69 1.64 -0.09 0.00 0.00 0.00 0.00 60.65 62.90 2dkr s ILE 32 Cb -0.26 -4.05 0.02 0.00 0.01 0.00 0.00 42.46 38.18 2dkr s ILE 32 CO 0.30 0.14 0.57 -0.72 0.00 0.00 0.00 174.94 175.23 2dkr s TYR 33 N 0.97 0.63 -0.41 3.97 -0.85 -1.26 -0.03 117.35 120.37 2dkr s TYR 33 Ca 0.56 -1.02 -0.29 0.00 -0.52 0.00 0.00 57.07 55.80 2dkr s TYR 33 Cb -0.27 0.25 0.02 0.00 0.38 0.00 0.00 41.96 42.35 2dkr s TYR 33 CO 0.29 -1.24 1.12 0.42 -1.52 0.00 0.00 175.55 174.62 2dkr s ILE 34 N -3.05 4.33 -0.06 -3.49 -1.09 -0.95 -3.62 121.20 113.26 2dkr s ILE 34 Ca 0.24 1.44 -0.27 0.00 -2.23 0.00 0.00 60.65 59.83 2dkr s ILE 34 Cb -0.02 -4.52 -0.22 0.00 -1.58 0.00 0.00 42.46 36.12 2dkr s ILE 34 CO 0.15 -0.78 1.12 0.77 -1.23 0.00 0.00 174.94 174.97 2dkr h SER 35 N 8.77 0.01 -4.70 3.58 4.64 -0.74 -2.33 113.55 122.78 2dkr h SER 35 Ca -0.22 -0.64 -0.16 0.00 -0.47 0.00 0.00 61.79 60.30 2dkr h SER 35 Cb 1.06 -0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 62.93 2dkr h SER 35 CO 1.09 0.65 -0.55 -0.60 -0.87 0.00 0.00 176.83 176.54 2dkr s ARG 36 N -3.65 0.37 -0.01 4.77 3.00 -1.23 -4.87 118.95 117.33 2dkr s ARG 36 Ca -0.17 -0.31 0.07 0.00 -1.00 0.00 0.00 55.73 54.32 2dkr s ARG 36 Cb 0.00 0.15 -0.02 0.00 0.00 0.00 0.00 34.95 35.09 2dkr s ARG 36 CO 0.68 -0.08 -0.22 0.08 0.00 0.00 0.00 175.30 175.76 2dkr s VAL 37 N -1.06 1.76 -0.09 7.11 1.01 -1.26 -0.74 120.40 127.13 2dkr s VAL 37 Ca -0.12 -0.97 -0.30 0.00 0.00 0.00 0.00 61.98 60.60 2dkr s VAL 37 Cb -0.06 -1.47 -0.02 0.00 0.00 0.00 0.00 36.38 34.83 2dkr s VAL 37 CO 0.01 0.49 1.09 -0.63 0.00 0.00 0.00 175.10 176.05 2dkr s ILE 38 N -0.54 4.57 -2.00 2.22 -1.09 -0.87 -4.90 121.20 118.58 2dkr s ILE 38 Ca 0.09 1.86 0.09 0.00 -2.23 0.00 0.00 60.65 60.46 2dkr s ILE 38 Cb -0.09 -4.19 0.27 0.00 -1.58 0.00 0.00 42.46 36.87 2dkr s ILE 38 CO -0.01 -0.00 1.00 -0.81 -1.23 0.00 0.00 174.94 173.89 2dkr n PRO 39 N 5.13 0.49 -2.08 2.79 -0.04 -1.26 -2.97 135.00 137.06 2dkr n PRO 39 Ca 0.10 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.53 2dkr n PRO 39 Cb 0.48 -1.30 0.04 0.00 -0.04 0.00 0.00 33.50 32.68 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 1.43 3.85 0.55 0.00 -1.26 -4.97 105.19 104.76 2dkr n GLY 40 Ca 0.07 -0.38 -0.26 0.00 0.00 0.00 0.00 46.02 45.45 2dkr n GLY 40 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2dkr s GLY 41 N -1.71 2.42 0.17 -0.02 0.00 -1.16 -4.96 107.32 102.06 2dkr s GLY 41 Ca 0.13 -1.40 -0.20 0.00 0.00 0.00 0.00 44.72 43.25 2dkr s GLY 41 CO -0.08 -1.94 1.62 -2.08 0.00 0.00 0.00 173.10 170.62 2dkr h VAL 42 N 1.00 0.34 0.14 1.40 2.07 -1.78 -0.61 116.25 118.81 2dkr h VAL 42 Ca -0.39 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.13 2dkr h VAL 42 Cb 1.29 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 31.37 2dkr h VAL 42 CO 0.62 0.00 -0.40 0.00 0.02 0.00 0.00 177.57 177.81 2dkr h ALA 43 N 1.03 -0.92 -0.84 1.67 0.00 -0.74 0.29 119.26 119.75 2dkr h ALA 43 Ca 0.19 -0.09 0.21 0.00 0.00 0.00 0.00 54.91 55.22 2dkr h ALA 43 Cb 0.47 0.76 -0.13 0.00 0.00 0.00 0.00 17.79 18.89 2dkr h ALA 43 CO -0.51 -1.00 0.24 0.22 0.00 0.00 0.00 179.25 178.20 2dkr h ASP 44 N -0.60 0.05 -0.41 0.00 3.58 -1.65 0.18 116.42 117.57 2dkr h ASP 44 Ca -0.01 0.18 -0.04 0.00 0.42 0.00 0.00 57.03 57.58 2dkr h ASP 44 Cb 0.59 0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.85 2dkr h ASP 44 CO -0.19 -0.10 0.12 0.03 -2.88 0.00 0.00 179.24 176.22 2dkr h ARG 45 N 0.26 0.65 0.57 0.28 3.08 -0.40 -3.20 114.38 115.61 2dkr h ARG 45 Ca 0.51 -0.15 -0.03 0.00 0.07 0.00 0.00 59.98 60.39 2dkr h ARG 45 Cb 0.98 -0.09 0.01 0.00 0.08 0.00 0.00 29.97 30.95 2dkr h ARG 45 CO -0.60 0.66 -0.27 1.25 -1.07 0.00 0.00 179.97 179.93 2dkr h HIS 46 N 0.53 -0.71 -1.08 3.04 2.76 0.23 -3.49 115.15 116.42 2dkr h HIS 46 Ca 0.13 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.28 2dkr h HIS 46 Cb 0.29 0.24 0.00 0.00 1.55 0.00 0.00 27.41 29.48 2dkr h HIS 46 CO 0.01 -0.42 0.00 0.41 -1.30 0.00 0.00 177.93 176.64 2dkr n GLY 47 N -1.24 -0.09 0.00 5.26 0.00 0.37 -5.05 105.19 104.44 2dkr n GLY 47 Ca -0.12 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.14 0.12 3.71 -0.02 0.00 -1.26 -5.11 105.19 102.49 2dkr n GLY 48 Ca 0.00 -0.07 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.66 4.19 0.04 0.99 1.43 -1.26 -5.07 118.68 117.34 2dkr s LEU 49 Ca 0.00 0.21 -0.02 0.00 -1.03 0.00 0.00 54.13 53.30 2dkr s LEU 49 Cb 0.00 -2.11 -0.03 0.00 0.03 0.00 0.00 46.19 44.08 2dkr s LEU 49 CO 0.00 0.15 -0.01 -0.54 0.23 0.00 0.00 176.35 176.18 2dkr s LYS 50 N 0.54 0.54 -0.26 1.70 1.02 -1.26 -4.74 119.74 117.28 2dkr s LYS 50 Ca 0.08 -0.99 -0.35 0.00 0.02 0.00 0.00 55.97 54.73 2dkr s LYS 50 Cb -0.12 0.19 -0.11 0.00 -0.52 0.00 0.00 37.83 37.27 2dkr s LYS 50 CO -0.00 -0.10 2.05 -2.13 -0.92 0.00 0.00 175.35 174.25 2dkr n ARG 51 N 0.58 1.48 0.00 1.68 0.63 -1.26 -1.49 116.66 118.27 2dkr n ARG 51 Ca -0.17 0.47 0.00 0.00 -0.92 0.00 0.00 57.85 57.23 2dkr n ARG 51 Cb 0.59 -2.55 0.00 0.00 0.45 0.00 0.00 32.46 30.95 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 5.57 2.30 3.68 5.14 0.00 -0.88 -4.96 105.19 116.05 2dkr n GLY 52 Ca 0.33 -0.60 -0.52 0.00 0.00 0.00 0.00 46.02 45.22 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 2.96 -4.69 1.61 9.92 -0.56 -4.58 116.55 121.22 2dkr n ASP 53 Ca 0.00 0.98 -0.42 0.00 -0.53 0.00 0.00 54.79 54.82 2dkr n ASP 53 Cb 0.00 -1.27 -0.03 0.00 -0.64 0.00 0.00 41.12 39.18 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 4.02 4.44 -0.40 -1.24 0.74 -1.26 -2.25 119.66 123.71 2dkr s GLN 54 Ca 0.96 1.28 -0.29 0.00 0.05 0.00 0.00 55.36 57.37 2dkr s GLN 54 Cb -0.85 -3.52 0.00 0.00 1.10 0.00 0.00 33.01 29.75 2dkr s GLN 54 CO 0.57 -0.21 1.48 -1.17 -0.55 0.00 0.00 175.29 175.41 2dkr s LEU 55 N 1.66 3.57 -0.11 3.68 2.96 0.96 -3.40 118.68 128.00 2dkr s LEU 55 Ca 0.46 0.91 -0.26 0.00 -0.22 0.00 0.00 54.13 55.02 2dkr s LEU 55 Cb -0.19 -3.54 -0.23 0.00 0.50 0.00 0.00 46.19 42.74 2dkr s LEU 55 CO 0.20 -1.48 0.81 -0.07 -1.32 0.00 0.00 176.35 174.49 2dkr h LEU 56 N 12.43 -0.01 -7.00 -0.68 3.38 -1.59 -3.36 115.31 118.49 2dkr h LEU 56 Ca -0.29 -0.82 0.01 0.00 0.09 0.00 0.00 57.88 56.87 2dkr h LEU 56 Cb 1.12 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.68 2dkr h LEU 56 CO 1.08 0.85 0.35 -0.44 0.09 0.00 0.00 178.44 180.37 2dkr s SER 57 N -6.06 -0.52 -0.02 -0.43 0.01 -1.25 -2.85 113.70 102.58 2dkr s SER 57 Ca -0.17 0.47 0.05 0.00 1.31 0.00 0.00 55.95 57.61 2dkr s SER 57 Cb -0.02 0.45 -0.01 0.00 0.21 0.00 0.00 66.02 66.65 2dkr s SER 57 CO 0.64 -0.55 -0.18 -0.69 0.41 0.00 0.00 173.24 172.87 2dkr s VAL 58 N -1.60 1.41 -1.43 3.43 1.01 -0.47 -1.10 120.40 121.65 2dkr s VAL 58 Ca -0.05 -0.75 -0.11 0.00 0.00 0.00 0.00 61.98 61.07 2dkr s VAL 58 Cb -0.00 -1.18 0.07 0.00 0.00 0.00 0.00 36.38 35.26 2dkr s VAL 58 CO 0.03 0.40 0.69 0.59 0.00 0.00 0.00 175.10 176.81 2dkr n ASN 59 N 2.76 -4.47 -1.70 3.32 3.02 0.50 -0.40 115.26 118.29 2dkr n ASN 59 Ca -0.16 -0.53 -0.14 0.00 -0.03 0.00 0.00 54.58 53.73 2dkr n ASN 59 Cb 0.54 -3.63 0.00 0.00 -0.61 0.00 0.00 39.78 36.07 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 -1.41 -0.18 2.96 7.41 0.00 -1.26 -5.01 105.19 107.70 2dkr n GLY 60 Ca -0.01 -0.27 -0.26 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.76 1.09 -0.09 1.61 1.01 0.47 -5.10 120.40 116.63 2dkr s VAL 61 Ca 0.05 -0.39 -0.29 0.00 0.00 0.00 0.00 61.98 61.35 2dkr s VAL 61 Cb -0.02 -1.05 -0.06 0.00 0.00 0.00 0.00 36.38 35.24 2dkr s VAL 61 CO 0.06 0.36 1.93 -0.44 0.00 0.00 0.00 175.10 177.02 2dkr s SER 62 N 1.20 6.19 -0.16 3.32 0.01 -1.26 -1.37 113.70 121.64 2dkr s SER 62 Ca -0.04 2.22 0.08 0.00 1.31 0.00 0.00 55.95 59.52 2dkr s SER 62 Cb -0.14 -2.53 -0.16 0.00 0.21 0.00 0.00 66.02 63.41 2dkr s SER 62 CO -0.03 -1.32 -0.03 1.33 0.41 0.00 0.00 173.24 173.60 2dkr n VAL 63 N 6.29 1.02 -0.31 3.43 0.24 -1.15 -4.54 118.33 123.32 2dkr n VAL 63 Ca 0.22 -0.54 0.25 0.00 -2.04 0.00 0.00 64.34 62.23 2dkr n VAL 63 Cb 0.43 -0.82 0.47 0.00 -1.47 0.00 0.00 33.84 32.44 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 -2.73 -0.06 -2.24 7.34 -0.58 -1.13 0.24 120.64 121.48 2dkr n GLU 64 Ca -0.27 1.34 -0.37 0.00 -0.42 0.00 0.00 57.16 57.44 2dkr n GLU 64 Cb 0.93 -2.31 0.02 0.00 -0.57 0.00 0.00 31.44 29.51 2dkr n GLU 64 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2dkr n GLY 65 N -1.32 5.75 3.54 0.62 0.00 -1.26 -4.86 105.19 107.66 2dkr n GLY 65 Ca 0.31 -2.57 -0.09 0.00 0.00 0.00 0.00 46.02 43.67 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 -4.00 1.43 0.49 1.61 0.41 0.14 -5.11 118.70 113.66 2dkr s GLU 66 Ca 0.48 -1.00 -0.15 0.00 -0.41 0.00 0.00 54.97 53.89 2dkr s GLU 66 Cb 0.37 0.50 -0.07 0.00 -1.78 0.00 0.00 34.13 33.14 2dkr s GLU 66 CO -0.30 -0.60 0.93 -1.14 -0.49 0.00 0.00 175.26 173.67 2dkr s GLN 67 N -3.92 3.89 0.19 1.61 2.00 -1.26 -4.13 119.66 118.03 2dkr s GLN 67 Ca 0.13 0.83 -0.23 0.00 -2.00 0.00 0.00 55.36 54.09 2dkr s GLN 67 Cb -0.01 -2.20 0.10 0.00 0.80 0.00 0.00 33.01 31.70 2dkr s GLN 67 CO 0.01 -0.22 1.56 1.25 -0.50 0.00 0.00 175.29 177.39 2dkr h HIS 68 N 0.95 -1.23 -0.72 1.67 6.17 -1.73 -0.47 115.15 119.79 2dkr h HIS 68 Ca -0.47 0.09 0.11 0.00 0.71 0.00 0.00 60.37 60.81 2dkr h HIS 68 Cb 1.19 0.65 -0.11 0.00 2.52 0.00 0.00 27.41 31.65 2dkr h HIS 68 CO 0.63 -0.41 -0.30 0.39 0.71 0.00 0.00 177.93 178.96 2dkr n GLU 69 N -5.41 -0.19 -0.15 5.26 -0.58 -1.26 0.10 120.64 118.41 2dkr n GLU 69 Ca 0.05 1.11 -0.14 0.00 -0.42 0.00 0.00 57.16 57.75 2dkr n GLU 69 Cb 0.35 -1.64 -0.10 0.00 -0.57 0.00 0.00 31.44 29.49 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 -0.36 -0.77 3.49 1.63 -1.45 -0.88 116.57 118.22 2dkr h LYS 70 Ca 0.23 0.02 0.13 0.00 -0.85 0.00 0.00 60.65 60.19 2dkr h LYS 70 Cb 0.41 0.08 -0.14 0.00 -0.60 0.00 0.00 32.23 31.99 2dkr h LYS 70 CO -0.71 -0.24 -0.33 0.00 -3.45 0.00 0.00 179.45 174.71 2dkr h ALA 71 N -0.03 0.12 -0.49 5.00 0.00 -0.36 0.17 119.26 123.66 2dkr h ALA 71 Ca 0.08 0.23 0.08 0.00 0.00 0.00 0.00 54.91 55.30 2dkr h ALA 71 Cb 0.58 0.84 -0.07 0.00 0.00 0.00 0.00 17.79 19.14 2dkr h ALA 71 CO -0.61 -0.61 0.11 0.28 0.00 0.00 0.00 179.25 178.42 2dkr h VAL 72 N -0.08 0.74 -0.31 0.00 2.07 -0.85 -1.81 116.25 116.00 2dkr h VAL 72 Ca 0.30 -0.09 0.04 0.00 0.82 0.00 0.00 66.70 67.77 2dkr h VAL 72 Cb 0.58 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 2dkr h VAL 72 CO -0.81 0.05 0.08 -0.33 0.02 0.00 0.00 177.57 176.58 2dkr h GLU 73 N 0.25 0.20 0.13 1.57 4.39 0.54 -2.60 114.58 119.06 2dkr h GLU 73 Ca 0.25 -0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.95 2dkr h GLU 73 Cb 0.32 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.89 2dkr h GLU 73 CO -0.31 0.13 -0.34 -0.07 -1.16 0.00 0.00 179.01 177.26 2dkr h LEU 74 N 0.21 -0.99 -0.79 1.33 3.38 -0.40 0.24 115.31 118.29 2dkr h LEU 74 Ca 0.14 0.11 0.19 0.00 0.09 0.00 0.00 57.88 58.41 2dkr h LEU 74 Cb 0.14 0.37 -0.14 0.00 0.09 0.00 0.00 40.66 41.12 2dkr h LEU 74 CO -0.17 -0.43 0.03 -0.07 0.09 0.00 0.00 178.44 177.89 2dkr h LEU 75 N -0.58 -0.34 -0.44 1.67 3.38 -1.13 0.20 115.31 118.08 2dkr h LEU 75 Ca 0.03 0.21 -0.14 0.00 0.09 0.00 0.00 57.88 58.06 2dkr h LEU 75 Cb 0.60 0.35 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 2dkr h LEU 75 CO -0.20 -0.19 -0.26 0.11 0.09 0.00 0.00 178.44 177.99 2dkr h LYS 76 N 0.11 0.96 -0.94 1.13 1.57 -1.02 -3.07 116.57 115.30 2dkr h LYS 76 Ca 0.44 -0.44 0.19 0.00 -1.87 0.00 0.00 60.65 58.97 2dkr h LYS 76 Cb 0.81 -0.02 -0.11 0.00 0.08 0.00 0.00 32.23 32.99 2dkr h LYS 76 CO -0.69 1.10 0.53 0.00 -0.57 0.00 0.00 179.45 179.82 2dkr h ALA 77 N 0.83 1.53 -1.79 3.86 0.00 0.26 -3.42 119.26 120.54 2dkr h ALA 77 Ca 0.09 0.10 -0.44 0.00 0.00 0.00 0.00 54.91 54.66 2dkr h ALA 77 Cb 0.84 -0.02 0.23 0.00 0.00 0.00 0.00 17.79 18.84 2dkr h ALA 77 CO 0.07 -0.13 -0.78 0.00 0.00 0.00 0.00 179.25 178.42 2dkr n ALA 78 N -2.38 -3.86 -3.45 0.00 0.00 -0.73 -5.04 120.51 105.04 2dkr n ALA 78 Ca 0.22 -1.31 -0.01 0.00 0.00 0.00 0.00 53.44 52.34 2dkr n ALA 78 Cb 0.56 -1.62 -0.04 0.00 0.00 0.00 0.00 19.45 18.35 2dkr n ALA 78 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2dkr s GLN 79 N -3.72 0.52 0.00 0.00 -0.21 -1.26 -4.94 119.66 110.05 2dkr s GLN 79 Ca 0.59 1.16 0.00 0.00 0.02 0.00 0.00 55.36 57.13 2dkr s GLN 79 Cb -0.15 0.56 0.00 0.00 1.00 0.00 0.00 33.01 34.42 2dkr s GLN 79 CO 0.65 -0.39 0.00 0.41 -2.12 0.00 0.00 175.29 173.84 2dkr n GLY 80 N 5.43 1.78 3.54 3.09 0.00 -1.26 -4.87 105.19 112.89 2dkr n GLY 80 Ca -0.07 -0.30 -0.11 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.73 0.31 1.61 1.04 -1.26 -1.42 113.70 113.25 2dkr s SER 81 Ca 0.00 1.30 0.08 0.00 0.48 0.00 0.00 55.95 57.81 2dkr s SER 81 Cb 0.00 1.26 -0.04 0.00 0.10 0.00 0.00 66.02 67.34 2dkr s SER 81 CO 0.00 -0.22 0.14 0.68 0.98 0.00 0.00 173.24 174.82 2dkr s VAL 82 N 0.84 3.47 -0.23 5.02 -7.23 -0.74 -4.83 120.40 116.69 2dkr s VAL 82 Ca -0.04 -1.64 0.01 0.00 -1.81 0.00 0.00 61.98 58.50 2dkr s VAL 82 Cb -0.05 -3.06 0.06 0.00 0.56 0.00 0.00 36.38 33.89 2dkr s VAL 82 CO -0.07 -0.26 -0.05 -0.54 -0.31 0.00 0.00 175.10 173.87 2dkr s LYS 83 N -3.83 1.60 -0.34 4.82 1.02 -1.26 -2.60 119.74 119.16 2dkr s LYS 83 Ca 0.36 -0.97 -0.04 0.00 0.02 0.00 0.00 55.97 55.33 2dkr s LYS 83 Cb -0.05 -2.57 0.06 0.00 -0.52 0.00 0.00 37.83 34.75 2dkr s LYS 83 CO 0.23 -0.59 0.09 -0.51 -0.92 0.00 0.00 175.35 173.65 2dkr s LEU 84 N 1.41 4.36 0.08 3.17 1.43 0.11 -0.37 118.68 128.87 2dkr s LEU 84 Ca -0.06 -1.34 -0.22 0.00 -1.03 0.00 0.00 54.13 51.48 2dkr s LEU 84 Cb -0.19 -1.82 -0.07 0.00 0.03 0.00 0.00 46.19 44.15 2dkr s LEU 84 CO -0.06 -0.35 0.66 -0.69 0.23 0.00 0.00 176.35 176.14 2dkr s VAL 85 N 1.31 4.66 0.19 -1.59 1.01 -0.26 0.07 120.40 125.79 2dkr s VAL 85 Ca -0.01 1.42 0.01 0.00 0.00 0.00 0.00 61.98 63.40 2dkr s VAL 85 Cb -0.20 -4.00 -0.05 0.00 0.00 0.00 0.00 36.38 32.13 2dkr s VAL 85 CO 0.00 0.50 0.05 0.68 0.00 0.00 0.00 175.10 176.33 2dkr s VAL 86 N -0.81 0.48 -0.26 2.92 -7.23 -1.19 -1.54 120.40 112.77 2dkr s VAL 86 Ca 0.33 -1.97 0.01 0.00 -1.81 0.00 0.00 61.98 58.54 2dkr s VAL 86 Cb -0.20 -2.26 0.05 0.00 0.56 0.00 0.00 36.38 34.52 2dkr s VAL 86 CO 0.21 -0.32 -0.09 -0.60 -0.31 0.00 0.00 175.10 173.99 2dkr s ARG 87 N -3.99 2.42 -0.14 4.82 3.52 -1.22 -4.12 118.95 120.23 2dkr s ARG 87 Ca 0.29 -1.24 0.17 0.00 -0.13 0.00 0.00 55.73 54.81 2dkr s ARG 87 Cb 0.07 -2.93 0.73 0.00 -1.56 0.00 0.00 34.95 31.25 2dkr s ARG 87 CO 0.07 -0.53 1.64 0.43 -0.81 0.00 0.00 175.30 176.10 2dkr n SER 88 N 4.52 4.91 -4.76 -2.12 7.64 -1.26 -4.53 113.62 118.02 2dkr n SER 88 Ca -0.15 -2.59 -0.40 0.00 1.01 0.00 0.00 58.87 56.75 2dkr n SER 88 Cb 0.44 -0.59 -0.04 0.00 -1.01 0.00 0.00 64.21 63.00 2dkr n SER 88 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dkr s GLY 89 N -0.95 3.04 0.10 0.23 0.00 -1.26 -4.99 107.32 103.49 2dkr s GLY 89 Ca 0.51 0.86 -0.31 0.00 0.00 0.00 0.00 44.72 45.78 2dkr s GLY 89 CO 0.21 1.44 1.37 2.56 0.00 0.00 0.00 173.10 178.69 2dkr s PRO 90 N -1.52 4.33 0.28 2.90 0.04 -1.26 -4.91 135.00 134.86 2dkr s PRO 90 Ca 0.45 2.03 -0.07 0.00 0.04 0.00 0.00 61.00 63.46 2dkr s PRO 90 Cb -0.31 -3.29 0.49 0.00 0.04 0.00 0.00 34.50 31.43 2dkr s PRO 90 CO 0.39 -0.43 1.54 -1.13 0.04 0.00 0.00 177.00 177.41 2dkr n SER 91 N 4.10 -0.33 0.00 6.66 3.41 -1.26 -0.79 113.62 125.41 2dkr n SER 91 Ca 0.11 1.70 -0.12 0.00 -0.26 0.00 0.00 58.87 60.30 2dkr n SER 91 Cb 0.43 -0.53 -0.10 0.00 -0.26 0.00 0.00 64.21 63.75 2dkr n SER 91 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2dkr h SER 92 N 0.00 -0.07 -0.01 4.04 0.87 -2.04 -3.56 113.55 112.78 2dkr h SER 92 Ca 0.49 -0.52 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 2dkr h SER 92 Cb 0.79 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.76 2dkr h SER 92 CO -1.01 0.52 0.00 0.61 -0.53 0.00 0.00 176.83 176.42