#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 1.93 0.31 1.61 0.01 -1.26 -5.02 113.70 111.28 2dkr s SER 2 Ca 0.00 -0.32 0.06 0.00 1.31 0.00 0.00 55.95 57.01 2dkr s SER 2 Cb 0.00 -0.64 0.85 0.00 0.21 0.00 0.00 66.02 66.44 2dkr s SER 2 CO 0.00 0.11 1.64 0.77 0.41 0.00 0.00 173.24 176.17 2dkr h SER 3 N 6.48 0.11 -0.37 2.44 4.64 -2.12 -3.46 113.55 121.26 2dkr h SER 3 Ca -0.32 0.21 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 2dkr h SER 3 Cb 1.18 0.25 0.00 0.00 -0.31 0.00 0.00 62.40 63.52 2dkr h SER 3 CO 0.48 -0.19 0.00 0.61 -0.87 0.00 0.00 176.83 176.86 2dkr n GLY 4 N -1.36 -0.73 3.10 -0.77 0.00 -1.26 -4.84 105.19 99.33 2dkr n GLY 4 Ca 0.25 -1.15 -0.26 0.00 0.00 0.00 0.00 46.02 44.86 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 -4.00 2.13 0.34 1.61 0.15 -1.26 -5.14 113.70 107.53 2dkr s SER 5 Ca 0.00 -0.36 0.06 0.00 0.70 0.00 0.00 55.95 56.35 2dkr s SER 5 Cb 0.00 -0.80 -0.01 0.00 -1.71 0.00 0.00 66.02 63.50 2dkr s SER 5 CO 0.00 0.11 0.49 -0.44 1.20 0.00 0.00 173.24 174.60 2dkr s SER 6 N 0.32 5.98 -0.42 5.45 0.01 -1.26 -4.98 113.70 118.80 2dkr s SER 6 Ca -0.10 -0.10 -0.39 0.00 1.31 0.00 0.00 55.95 56.66 2dkr s SER 6 Cb -0.14 -1.32 -0.15 0.00 0.21 0.00 0.00 66.02 64.62 2dkr s SER 6 CO 0.04 -0.44 2.16 0.61 0.41 0.00 0.00 173.24 176.02 2dkr n GLY 7 N -1.68 0.20 3.31 3.44 0.00 -1.21 -4.78 105.19 104.46 2dkr n GLY 7 Ca -0.01 1.02 -0.38 0.00 0.00 0.00 0.00 46.02 46.65 2dkr n GLY 7 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dkr s VAL 8 N 6.68 4.00 -0.31 1.61 1.01 -1.26 -1.96 120.40 130.17 2dkr s VAL 8 Ca 1.14 -1.02 -0.17 0.00 0.00 0.00 0.00 61.98 61.94 2dkr s VAL 8 Cb -1.15 -3.24 -0.02 0.00 0.00 0.00 0.00 36.38 31.97 2dkr s VAL 8 CO 0.57 -0.17 0.46 -0.69 0.00 0.00 0.00 175.10 175.28 2dkr s VAL 9 N 1.45 5.08 -0.41 2.92 1.01 -0.50 -4.92 120.40 125.03 2dkr s VAL 9 Ca -0.00 0.46 -0.10 0.00 0.00 0.00 0.00 61.98 62.34 2dkr s VAL 9 Cb -0.19 -3.86 0.07 0.00 0.00 0.00 0.00 36.38 32.39 2dkr s VAL 9 CO 0.04 -0.06 0.26 -0.70 0.00 0.00 0.00 175.10 174.64 2dkr s GLU 10 N 2.26 2.68 0.00 2.72 2.12 -1.26 -0.76 118.70 126.46 2dkr s GLU 10 Ca 0.18 -1.36 -0.00 0.00 0.36 0.00 0.00 54.97 54.14 2dkr s GLU 10 Cb -0.16 -3.79 -0.04 0.00 0.26 0.00 0.00 34.13 30.40 2dkr s GLU 10 CO 0.12 -0.90 0.10 -0.51 -0.54 0.00 0.00 175.26 173.53 2dkr s LEU 11 N 1.47 3.98 0.09 2.70 1.43 -0.93 -4.93 118.68 122.49 2dkr s LEU 11 Ca 0.03 0.17 -0.31 0.00 -1.03 0.00 0.00 54.13 52.99 2dkr s LEU 11 Cb -0.22 -2.36 -0.07 0.00 0.03 0.00 0.00 46.19 43.56 2dkr s LEU 11 CO 0.03 0.26 1.38 -2.16 0.23 0.00 0.00 176.35 176.09 2dkr s PRO 12 N -1.84 4.32 -0.52 1.29 0.04 -1.26 -1.96 135.00 135.07 2dkr s PRO 12 Ca 0.24 2.03 -0.28 0.00 0.04 0.00 0.00 61.00 63.03 2dkr s PRO 12 Cb -0.12 -3.32 0.02 0.00 0.04 0.00 0.00 34.50 31.11 2dkr s PRO 12 CO 0.16 -0.45 1.34 0.21 0.04 0.00 0.00 177.00 178.29 2dkr s LYS 13 N 1.36 3.47 -0.18 4.56 2.47 -1.18 -4.92 119.74 125.32 2dkr s LYS 13 Ca 0.64 0.56 -0.09 0.00 -1.56 0.00 0.00 55.97 55.52 2dkr s LYS 13 Cb -0.35 -4.05 0.06 0.00 -1.46 0.00 0.00 37.83 32.03 2dkr s LYS 13 CO 0.30 -1.72 0.42 0.95 0.16 0.00 0.00 175.35 175.45 2dkr s THR 14 N 5.49 -0.12 0.42 3.43 -4.23 -1.26 -4.50 115.64 114.86 2dkr s THR 14 Ca 0.52 0.10 0.34 0.00 -1.18 0.00 0.00 61.69 61.48 2dkr s THR 14 Cb -0.10 -0.63 0.51 0.00 1.34 0.00 0.00 72.50 73.62 2dkr s THR 14 CO 0.28 0.04 1.33 -0.90 -0.54 0.00 0.00 174.62 174.83 2dkr n ASP 15 N 4.45 0.11 -0.31 3.99 5.68 -1.26 -0.00 116.55 129.20 2dkr n ASP 15 Ca -0.21 1.04 0.22 0.00 -0.50 0.00 0.00 54.79 55.35 2dkr n ASP 15 Cb 0.54 -0.52 0.41 0.00 -1.14 0.00 0.00 41.12 40.42 2dkr n ASP 15 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2dkr n GLU 16 N -4.09 -0.07 0.00 0.11 1.02 -1.26 -4.88 120.64 111.47 2dkr n GLU 16 Ca 0.36 1.35 0.00 0.00 -0.02 0.00 0.00 57.16 58.85 2dkr n GLU 16 Cb 1.50 -2.28 0.00 0.00 -0.02 0.00 0.00 31.44 30.64 2dkr n GLU 16 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2dkr n GLY 17 N -1.36 2.73 0.13 0.62 0.00 1.00 -4.95 105.19 103.36 2dkr n GLY 17 Ca 0.29 -2.09 -0.22 0.00 0.00 0.00 0.00 46.02 44.00 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 2.58 -0.14 0.99 7.99 -1.26 -4.50 117.00 122.67 2dkr n LEU 18 Ca 0.00 0.11 0.00 0.00 -0.01 0.00 0.00 56.01 56.11 2dkr n LEU 18 Cb 0.00 -0.96 0.00 0.00 -0.11 0.00 0.00 43.42 42.35 2dkr n LEU 18 CO 0.00 0.78 0.00 0.61 -1.51 0.00 0.00 177.39 177.27 2dkr n GLY 19 N 1.92 1.08 3.16 -0.72 0.00 -1.26 0.17 105.19 109.54 2dkr n GLY 19 Ca -0.42 -0.24 -0.12 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.12 0.11 1.61 -0.12 -1.26 -2.26 117.98 113.66 2dkr s PHE 20 Ca 0.00 0.23 0.09 0.00 -0.05 0.00 0.00 56.93 57.20 2dkr s PHE 20 Cb 0.00 0.04 -0.04 0.00 -0.63 0.00 0.00 43.02 42.39 2dkr s PHE 20 CO 0.00 -0.28 -0.20 -0.80 -0.05 0.00 0.00 175.22 173.89 2dkr s ASN 21 N -0.95 3.73 0.00 1.98 -0.87 0.13 -4.99 114.94 113.96 2dkr s ASN 21 Ca -0.10 -0.59 -0.02 0.00 -1.57 0.00 0.00 52.86 50.58 2dkr s ASN 21 Cb -0.05 -0.47 -0.01 0.00 -0.02 0.00 0.00 41.25 40.70 2dkr s ASN 21 CO 0.02 0.19 0.04 0.27 -2.57 0.00 0.00 177.10 175.05 2dkr s ILE 22 N -1.09 0.08 0.01 0.60 -4.36 -1.26 0.48 121.20 115.66 2dkr s ILE 22 Ca 0.16 -0.62 0.01 0.00 -0.26 0.00 0.00 60.65 59.94 2dkr s ILE 22 Cb -0.10 -0.26 -0.01 0.00 1.25 0.00 0.00 42.46 43.34 2dkr s ILE 22 CO 0.08 -0.34 -0.03 0.00 0.24 0.00 0.00 174.94 174.89 2dkr s MET 23 N -1.06 0.27 0.00 0.37 0.23 -1.08 -4.78 119.30 113.25 2dkr s MET 23 Ca -0.12 -0.24 0.00 0.00 -1.03 0.00 0.00 55.69 54.31 2dkr s MET 23 Cb -0.07 -0.19 0.00 0.00 -1.53 0.00 0.00 34.83 33.04 2dkr s MET 23 CO -0.00 0.05 0.00 0.41 -2.03 0.00 0.00 175.02 173.45 2dkr n GLY 24 N 2.67 0.40 0.00 3.16 0.00 -1.26 -3.75 105.19 106.41 2dkr n GLY 24 Ca -0.15 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.42 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 1.29 0.68 -0.02 0.00 -1.12 -4.35 105.19 101.66 2dkr n GLY 25 Ca 0.00 -1.05 0.06 0.00 0.00 0.00 0.00 46.02 45.03 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 2.89 -2.36 1.61 5.02 -1.26 -4.20 118.16 119.86 2dkr n LYS 26 Ca 0.00 -2.20 -0.42 0.00 -2.02 0.00 0.00 58.31 53.68 2dkr n LYS 26 Cb 0.00 -1.38 -0.03 0.00 -0.02 0.00 0.00 35.03 33.61 2dkr n LYS 26 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2dkr s GLU 27 N -1.35 3.29 -1.47 1.97 0.41 -1.26 -3.53 118.70 116.76 2dkr s GLU 27 Ca 0.27 0.53 -0.11 0.00 -0.41 0.00 0.00 54.97 55.25 2dkr s GLU 27 Cb 0.16 -4.13 0.06 0.00 -1.78 0.00 0.00 34.13 28.44 2dkr s GLU 27 CO 0.14 -1.94 0.90 0.94 -0.49 0.00 0.00 175.26 174.81 2dkr n GLN 28 N 8.63 -5.65 -3.92 1.61 0.00 -1.26 -1.28 117.38 115.52 2dkr n GLN 28 Ca 0.13 0.68 -0.30 0.00 -0.00 0.00 0.00 57.00 57.51 2dkr n GLN 28 Cb 0.49 -5.58 0.02 0.00 0.00 0.00 0.00 30.24 25.18 2dkr n GLN 28 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 2dkr n ASN 29 N -2.75 -4.31 -4.73 1.69 4.13 -1.23 -4.93 115.26 103.12 2dkr n ASN 29 Ca 0.01 -0.80 -0.39 0.00 1.68 0.00 0.00 54.58 55.08 2dkr n ASN 29 Cb 0.55 -3.81 -0.05 0.00 -1.54 0.00 0.00 39.78 34.93 2dkr n ASN 29 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 2dkr s SER 30 N -3.42 6.87 0.55 6.41 1.04 -0.40 -5.05 113.70 119.69 2dkr s SER 30 Ca 0.60 1.04 -0.19 0.00 0.48 0.00 0.00 55.95 57.88 2dkr s SER 30 Cb -0.30 -2.35 -0.06 0.00 0.10 0.00 0.00 66.02 63.41 2dkr s SER 30 CO 0.84 -0.01 1.13 -2.16 0.98 0.00 0.00 173.24 174.02 2dkr s PRO 31 N 0.43 3.33 -0.04 4.02 0.04 -1.26 -2.81 135.00 138.70 2dkr s PRO 31 Ca 0.31 1.59 -0.26 0.00 0.04 0.00 0.00 61.00 62.69 2dkr s PRO 31 Cb -0.17 -2.00 -0.03 0.00 0.04 0.00 0.00 34.50 32.33 2dkr s PRO 31 CO 0.15 -0.87 0.81 0.42 0.04 0.00 0.00 177.00 177.55 2dkr s ILE 32 N -1.81 4.98 0.32 0.56 1.01 -1.26 -4.50 121.20 120.49 2dkr s ILE 32 Ca 0.72 1.69 -0.04 0.00 0.00 0.00 0.00 60.65 63.02 2dkr s ILE 32 Cb -0.24 -4.15 -0.00 0.00 0.01 0.00 0.00 42.46 38.08 2dkr s ILE 32 CO 0.28 0.21 0.44 -0.72 0.00 0.00 0.00 174.94 175.15 2dkr s TYR 33 N 0.91 0.99 -0.36 3.97 1.13 -1.25 0.10 117.35 122.83 2dkr s TYR 33 Ca 0.43 -1.23 -0.28 0.00 -1.41 0.00 0.00 57.07 54.59 2dkr s TYR 33 Cb -0.19 -0.10 0.02 0.00 -1.10 0.00 0.00 41.96 40.59 2dkr s TYR 33 CO 0.22 -1.07 1.03 0.42 -2.51 0.00 0.00 175.55 173.64 2dkr s ILE 34 N -3.29 4.48 -0.10 -3.49 -1.09 -1.09 -2.62 121.20 114.01 2dkr s ILE 34 Ca 0.30 1.46 -0.28 0.00 -2.23 0.00 0.00 60.65 59.90 2dkr s ILE 34 Cb 0.00 -4.42 -0.24 0.00 -1.58 0.00 0.00 42.46 36.22 2dkr s ILE 34 CO 0.18 -0.59 0.94 0.77 -1.23 0.00 0.00 174.94 175.01 2dkr h SER 35 N 8.42 0.03 -4.66 3.58 4.64 -0.27 -2.47 113.55 122.82 2dkr h SER 35 Ca -0.22 -0.83 -0.13 0.00 -0.47 0.00 0.00 61.79 60.14 2dkr h SER 35 Cb 1.07 -0.01 -0.22 0.00 -0.31 0.00 0.00 62.40 62.93 2dkr h SER 35 CO 1.03 0.86 -0.33 -0.60 -0.87 0.00 0.00 176.83 176.92 2dkr s ARG 36 N -2.88 0.55 -0.07 4.77 3.52 -1.21 -4.88 118.95 118.75 2dkr s ARG 36 Ca -0.18 -0.05 0.03 0.00 -0.13 0.00 0.00 55.73 55.41 2dkr s ARG 36 Cb -0.01 0.25 -0.02 0.00 -1.56 0.00 0.00 34.95 33.61 2dkr s ARG 36 CO 0.69 -0.13 -0.17 0.08 -0.81 0.00 0.00 175.30 174.96 2dkr s VAL 37 N -0.91 2.79 0.11 7.11 1.01 -1.26 0.17 120.40 129.42 2dkr s VAL 37 Ca -0.10 -0.80 -0.30 0.00 0.00 0.00 0.00 61.98 60.77 2dkr s VAL 37 Cb -0.05 -2.09 -0.07 0.00 0.00 0.00 0.00 36.38 34.17 2dkr s VAL 37 CO 0.03 0.57 1.23 -0.63 0.00 0.00 0.00 175.10 176.30 2dkr s ILE 38 N -0.34 3.74 -2.00 2.22 -1.09 -0.96 -4.89 121.20 117.88 2dkr s ILE 38 Ca 0.03 1.31 0.05 0.00 -2.23 0.00 0.00 60.65 59.82 2dkr s ILE 38 Cb -0.13 -3.84 0.15 0.00 -1.58 0.00 0.00 42.46 37.07 2dkr s ILE 38 CO 0.02 0.14 0.78 -0.81 -1.23 0.00 0.00 174.94 173.84 2dkr n PRO 39 N 3.46 0.49 -2.71 2.79 -0.04 -1.26 -3.54 135.00 134.20 2dkr n PRO 39 Ca 0.08 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.47 2dkr n PRO 39 Cb 0.45 -1.17 0.09 0.00 -0.04 0.00 0.00 33.50 32.83 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 0.24 3.51 0.55 0.00 -1.26 -5.03 105.19 103.19 2dkr n GLY 40 Ca 0.04 0.15 -0.24 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.97 2.24 0.29 -0.02 0.00 -1.23 -5.02 107.32 102.60 2dkr s GLY 41 Ca 0.20 -2.15 0.03 0.00 0.00 0.00 0.00 44.72 42.80 2dkr s GLY 41 CO -0.08 -1.92 1.69 -2.08 0.00 0.00 0.00 173.10 170.70 2dkr h VAL 42 N 1.99 0.46 0.42 1.40 2.07 -1.62 -2.03 116.25 118.94 2dkr h VAL 42 Ca -0.42 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 66.95 2dkr h VAL 42 Cb 1.24 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 2dkr h VAL 42 CO 0.74 0.07 -0.20 0.00 0.02 0.00 0.00 177.57 178.20 2dkr h ALA 43 N 1.71 -0.87 -0.81 1.67 0.00 -0.53 -2.51 119.26 117.91 2dkr h ALA 43 Ca 0.55 -0.12 0.26 0.00 0.00 0.00 0.00 54.91 55.60 2dkr h ALA 43 Cb 1.05 0.22 -0.15 0.00 0.00 0.00 0.00 17.79 18.90 2dkr h ALA 43 CO -0.54 -0.83 0.16 -3.47 0.00 0.00 0.00 179.25 174.57 2dkr n ASP 44 N -3.96 0.04 0.13 0.00 2.03 -0.97 0.86 116.55 114.68 2dkr n ASP 44 Ca -0.07 1.37 -0.14 0.00 0.52 0.00 0.00 54.79 56.48 2dkr n ASP 44 Cb 0.22 -0.56 -0.08 0.00 -0.72 0.00 0.00 41.12 39.98 2dkr n ASP 44 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 2dkr h ARG 45 N 0.00 -0.29 -0.69 -0.67 3.08 -1.36 -3.08 114.38 111.38 2dkr h ARG 45 Ca 0.56 0.02 0.15 0.00 0.07 0.00 0.00 59.98 60.78 2dkr h ARG 45 Cb 1.30 0.07 -0.11 0.00 0.08 0.00 0.00 29.97 31.30 2dkr h ARG 45 CO -0.72 -0.05 0.07 1.25 -1.07 0.00 0.00 179.97 179.45 2dkr h HIS 46 N -0.50 0.08 -1.18 3.04 2.76 0.93 -3.46 115.15 116.82 2dkr h HIS 46 Ca -0.03 0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 2dkr h HIS 46 Cb 0.37 0.07 0.00 0.00 1.55 0.00 0.00 27.41 29.40 2dkr h HIS 46 CO -0.01 -0.15 0.00 0.41 -1.30 0.00 0.00 177.93 176.88 2dkr n GLY 47 N -1.37 0.81 0.00 5.26 0.00 -0.58 -4.99 105.19 104.32 2dkr n GLY 47 Ca 0.12 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.59 0.00 3.81 -0.02 0.00 -1.26 -5.06 105.19 102.07 2dkr n GLY 48 Ca 0.00 0.00 -0.37 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 -4.00 4.34 0.12 0.99 1.43 -1.26 -4.99 118.68 115.31 2dkr s LEU 49 Ca 0.00 0.53 -0.07 0.00 -1.03 0.00 0.00 54.13 53.56 2dkr s LEU 49 Cb 0.00 -2.24 -0.01 0.00 0.03 0.00 0.00 46.19 43.96 2dkr s LEU 49 CO 0.00 0.28 0.19 -0.54 0.23 0.00 0.00 176.35 176.50 2dkr s LYS 50 N -0.41 0.95 -0.01 1.70 3.01 -1.26 -4.72 119.74 118.99 2dkr s LYS 50 Ca 0.16 -1.12 -0.32 0.00 -1.01 0.00 0.00 55.97 53.68 2dkr s LYS 50 Cb -0.13 0.33 -0.10 0.00 -1.01 0.00 0.00 37.83 36.92 2dkr s LYS 50 CO 0.05 -0.31 1.92 -2.13 0.51 0.00 0.00 175.35 175.39 2dkr n ARG 51 N -0.11 2.55 0.00 1.68 0.63 -1.26 -2.16 116.66 117.99 2dkr n ARG 51 Ca -0.11 0.93 0.00 0.00 -0.92 0.00 0.00 57.85 57.75 2dkr n ARG 51 Cb 0.63 -2.83 0.00 0.00 0.45 0.00 0.00 32.46 30.70 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 4.45 2.62 3.48 5.14 0.00 -0.93 -4.96 105.19 114.98 2dkr n GLY 52 Ca 0.21 -0.91 -0.47 0.00 0.00 0.00 0.00 46.02 44.85 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 2.11 -4.69 1.61 8.00 -0.92 -4.52 116.55 118.14 2dkr n ASP 53 Ca 0.00 0.23 -0.42 0.00 0.71 0.00 0.00 54.79 55.30 2dkr n ASP 53 Cb 0.00 -1.31 -0.03 0.00 -0.02 0.00 0.00 41.12 39.76 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 6.81 4.34 -0.15 -1.24 -0.44 -1.26 -2.68 119.66 125.03 2dkr s GLN 54 Ca 1.09 1.68 -0.29 0.00 -2.50 0.00 0.00 55.36 55.34 2dkr s GLN 54 Cb -0.74 -3.57 -0.03 0.00 -1.64 0.00 0.00 33.01 27.03 2dkr s GLN 54 CO 0.44 -0.47 1.53 -1.17 0.50 0.00 0.00 175.29 176.12 2dkr s LEU 55 N 2.32 4.12 -0.17 3.68 2.96 0.29 -3.40 118.68 128.46 2dkr s LEU 55 Ca 0.56 1.84 -0.16 0.00 -0.22 0.00 0.00 54.13 56.15 2dkr s LEU 55 Cb -0.25 -3.53 -0.12 0.00 0.50 0.00 0.00 46.19 42.79 2dkr s LEU 55 CO 0.21 -1.01 0.08 -0.07 -1.32 0.00 0.00 176.35 174.24 2dkr h LEU 56 N 10.65 0.00 -7.46 -0.68 3.38 -1.11 -3.42 115.31 116.68 2dkr h LEU 56 Ca -0.34 -0.31 -0.13 0.00 0.09 0.00 0.00 57.88 57.19 2dkr h LEU 56 Cb 1.15 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 41.67 2dkr h LEU 56 CO 0.98 1.12 -0.32 -0.94 0.09 0.00 0.00 178.44 179.37 2dkr s SER 57 N -6.31 -0.27 -0.05 -0.43 1.04 -1.24 -1.86 113.70 104.58 2dkr s SER 57 Ca -0.21 0.40 0.06 0.00 0.48 0.00 0.00 55.95 56.68 2dkr s SER 57 Cb 0.04 0.51 -0.02 0.00 0.10 0.00 0.00 66.02 66.65 2dkr s SER 57 CO 0.42 -0.25 -0.23 -0.69 0.98 0.00 0.00 173.24 173.47 2dkr s VAL 58 N -0.46 2.26 -1.24 5.02 1.01 -0.58 -0.98 120.40 125.43 2dkr s VAL 58 Ca -0.06 -1.00 -0.03 0.00 0.00 0.00 0.00 61.98 60.89 2dkr s VAL 58 Cb -0.04 -1.83 0.02 0.00 0.00 0.00 0.00 36.38 34.53 2dkr s VAL 58 CO 0.02 0.57 0.20 0.59 0.00 0.00 0.00 175.10 176.48 2dkr n ASN 59 N 2.78 -4.32 -0.87 3.32 5.03 -0.79 -0.43 115.26 119.98 2dkr n ASN 59 Ca -0.17 -0.03 -0.07 0.00 0.87 0.00 0.00 54.58 55.18 2dkr n ASN 59 Cb 0.52 -3.61 0.00 0.00 -1.02 0.00 0.00 39.78 35.67 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 -1.01 0.16 2.85 7.41 0.00 -1.26 -4.97 105.19 108.37 2dkr n GLY 60 Ca -0.12 -0.57 -0.27 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.46 0.90 -0.41 1.61 1.01 0.43 -5.08 120.40 116.40 2dkr s VAL 61 Ca 0.03 -0.51 -0.30 0.00 0.00 0.00 0.00 61.98 61.20 2dkr s VAL 61 Cb -0.01 -1.13 -0.09 0.00 0.00 0.00 0.00 36.38 35.14 2dkr s VAL 61 CO 0.04 0.09 2.32 -1.54 0.00 0.00 0.00 175.10 176.00 2dkr n SER 62 N 4.94 2.32 -1.56 3.32 3.41 -1.26 -1.53 113.62 123.28 2dkr n SER 62 Ca -0.11 0.06 0.08 0.00 -0.26 0.00 0.00 58.87 58.64 2dkr n SER 62 Cb 0.48 -1.41 0.35 0.00 -0.26 0.00 0.00 64.21 63.38 2dkr n SER 62 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 2dkr n VAL 63 N 7.63 2.33 -2.23 -3.33 0.24 -0.78 -4.84 118.33 117.36 2dkr n VAL 63 Ca 0.39 -1.42 -0.40 0.00 -2.04 0.00 0.00 64.34 60.87 2dkr n VAL 63 Cb 0.36 -0.12 -0.03 0.00 -1.47 0.00 0.00 33.84 32.59 2dkr n VAL 63 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2dkr s GLU 64 N -2.43 2.96 0.00 7.34 2.02 -1.13 -3.11 118.70 124.34 2dkr s GLU 64 Ca 0.50 0.46 0.00 0.00 0.02 0.00 0.00 54.97 55.95 2dkr s GLU 64 Cb 0.36 -4.27 0.00 0.00 0.10 0.00 0.00 34.13 30.33 2dkr s GLU 64 CO 0.17 -2.35 0.00 0.41 0.02 0.00 0.00 175.26 173.51 2dkr n GLY 65 N 5.50 2.80 3.47 -1.39 0.00 -1.26 -5.07 105.19 109.25 2dkr n GLY 65 Ca 0.15 -0.69 -0.32 0.00 0.00 0.00 0.00 46.02 45.16 2dkr n GLY 65 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2dkr n GLU 66 N 0.00 -0.44 -0.53 1.61 0.28 -1.18 -4.32 120.64 116.06 2dkr n GLU 66 Ca 0.00 -0.08 -0.25 0.00 -0.16 0.00 0.00 57.16 56.67 2dkr n GLU 66 Cb 0.00 -1.99 0.18 0.00 1.43 0.00 0.00 31.44 31.06 2dkr n GLU 66 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 2dkr n GLN 67 N -2.43 -2.47 0.05 3.44 1.13 -1.26 -4.17 117.38 111.66 2dkr n GLN 67 Ca 0.08 -0.72 -0.21 0.00 -1.94 0.00 0.00 57.00 54.20 2dkr n GLN 67 Cb 0.54 -1.63 -0.14 0.00 0.11 0.00 0.00 30.24 29.11 2dkr n GLN 67 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 2dkr h HIS 68 N -2.64 0.56 -0.00 1.08 -0.00 -1.86 -3.37 115.15 108.92 2dkr h HIS 68 Ca -0.38 -0.41 0.03 0.00 -0.00 0.00 0.00 60.37 59.61 2dkr h HIS 68 Cb 1.07 -0.02 -0.04 0.00 -0.00 0.00 0.00 27.41 28.42 2dkr h HIS 68 CO -1.98 1.44 -0.18 0.93 -0.00 0.00 0.00 177.93 178.14 2dkr h GLU 69 N -0.28 -0.28 -0.80 5.26 5.08 -1.92 -2.50 114.58 119.14 2dkr h GLU 69 Ca -0.22 0.02 0.16 0.00 -1.00 0.00 0.00 59.36 58.31 2dkr h GLU 69 Cb 1.76 0.06 -0.15 0.00 0.50 0.00 0.00 28.75 30.92 2dkr h GLU 69 CO 0.13 -0.19 -0.20 1.17 -1.00 0.00 0.00 179.01 178.92 2dkr n LYS 70 N -5.31 -0.08 -0.12 2.33 3.00 -1.26 0.15 118.16 116.87 2dkr n LYS 70 Ca -0.05 1.24 -0.09 0.00 -0.00 0.00 0.00 58.31 59.42 2dkr n LYS 70 Cb 0.23 -1.86 -0.01 0.00 0.00 0.00 0.00 35.03 33.39 2dkr n LYS 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2dkr h ALA 71 N 1.58 0.49 0.87 3.14 0.00 -1.62 -1.94 119.26 121.78 2dkr h ALA 71 Ca 0.38 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 2dkr h ALA 71 Cb 0.58 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.23 2dkr h ALA 71 CO -0.82 0.04 -0.42 0.28 0.00 0.00 0.00 179.25 178.34 2dkr h VAL 72 N 0.47 0.10 -1.02 0.00 2.07 0.16 -2.56 116.25 115.48 2dkr h VAL 72 Ca 0.13 -0.06 0.25 0.00 0.82 0.00 0.00 66.70 67.84 2dkr h VAL 72 Cb 0.11 0.11 -0.09 0.00 -1.52 0.00 0.00 31.29 29.91 2dkr h VAL 72 CO -0.02 0.00 0.66 1.05 0.02 0.00 0.00 177.57 179.29 2dkr h GLU 73 N -1.22 0.39 0.37 1.57 4.11 -0.58 -0.82 114.58 118.40 2dkr h GLU 73 Ca -0.12 -0.02 -0.02 0.00 0.07 0.00 0.00 59.36 59.27 2dkr h GLU 73 Cb 0.90 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.07 2dkr h GLU 73 CO 0.20 0.26 -0.18 -0.07 0.07 0.00 0.00 179.01 179.28 2dkr h LEU 74 N 0.40 -0.42 0.04 3.06 3.38 -1.06 0.06 115.31 120.77 2dkr h LEU 74 Ca 0.57 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.57 2dkr h LEU 74 Cb 1.44 0.11 -0.05 0.00 0.09 0.00 0.00 40.66 42.25 2dkr h LEU 74 CO -0.26 -0.29 -0.32 -0.07 0.09 0.00 0.00 178.44 177.59 2dkr h LEU 75 N -0.52 -0.94 -0.96 1.67 3.38 -0.77 0.15 115.31 117.33 2dkr h LEU 75 Ca -0.05 0.12 0.10 0.00 0.09 0.00 0.00 57.88 58.14 2dkr h LEU 75 Cb 0.39 0.37 -0.08 0.00 0.09 0.00 0.00 40.66 41.44 2dkr h LEU 75 CO 0.08 -0.39 0.60 0.11 0.09 0.00 0.00 178.44 178.93 2dkr h LYS 76 N -0.50 0.96 -0.53 1.13 1.57 -1.39 -1.12 116.57 116.69 2dkr h LYS 76 Ca 0.05 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.69 2dkr h LYS 76 Cb 0.56 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 2dkr h LYS 76 CO -0.24 0.64 0.02 0.00 -0.57 0.00 0.00 179.45 179.30 2dkr h ALA 77 N 1.50 1.04 -2.01 3.86 0.00 -0.10 -3.44 119.26 120.10 2dkr h ALA 77 Ca 0.46 -0.27 -0.50 0.00 0.00 0.00 0.00 54.91 54.59 2dkr h ALA 77 Cb 0.38 -0.21 0.22 0.00 0.00 0.00 0.00 17.79 18.18 2dkr h ALA 77 CO -0.24 0.60 -0.72 0.00 0.00 0.00 0.00 179.25 178.90 2dkr n ALA 78 N -2.47 -3.10 -3.37 0.00 0.00 0.45 -5.04 120.51 106.98 2dkr n ALA 78 Ca 0.03 -0.85 -0.12 0.00 0.00 0.00 0.00 53.44 52.50 2dkr n ALA 78 Cb 0.31 -1.72 -0.11 0.00 0.00 0.00 0.00 19.45 17.92 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 -3.61 0.33 0.00 0.00 -1.52 -1.26 -4.94 119.66 108.66 2dkr s GLN 79 Ca 0.57 0.49 0.00 0.00 -1.95 0.00 0.00 55.36 54.47 2dkr s GLN 79 Cb -0.18 0.08 0.00 0.00 -0.22 0.00 0.00 33.01 32.69 2dkr s GLN 79 CO 0.67 -0.08 0.00 0.41 -0.25 0.00 0.00 175.29 176.04 2dkr n GLY 80 N 3.37 2.11 3.53 3.09 0.00 -1.26 -4.87 105.19 111.16 2dkr n GLY 80 Ca -0.17 -0.33 -0.11 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.41 -0.03 1.61 1.04 -1.26 -3.10 113.70 111.54 2dkr s SER 81 Ca 0.00 0.26 0.03 0.00 0.48 0.00 0.00 55.95 56.72 2dkr s SER 81 Cb 0.00 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.50 2dkr s SER 81 CO 0.00 -0.51 -0.12 0.68 0.98 0.00 0.00 173.24 174.26 2dkr s VAL 82 N -2.06 1.05 -0.41 5.02 -7.23 -0.83 -4.84 120.40 111.10 2dkr s VAL 82 Ca 0.00 -0.50 -0.13 0.00 -1.81 0.00 0.00 61.98 59.54 2dkr s VAL 82 Cb -0.01 -0.92 0.04 0.00 0.56 0.00 0.00 36.38 36.05 2dkr s VAL 82 CO -0.02 0.32 0.29 -0.54 -0.31 0.00 0.00 175.10 174.83 2dkr s LYS 83 N 0.17 2.88 -0.40 4.82 1.02 -1.26 -2.19 119.74 124.77 2dkr s LYS 83 Ca -0.04 -1.17 -0.14 0.00 0.02 0.00 0.00 55.97 54.63 2dkr s LYS 83 Cb -0.10 -3.91 0.02 0.00 -0.52 0.00 0.00 37.83 33.32 2dkr s LYS 83 CO 0.01 -0.83 0.28 -0.51 -0.92 0.00 0.00 175.35 173.39 2dkr s LEU 84 N 1.60 5.05 0.16 3.17 1.43 0.06 -1.88 118.68 128.26 2dkr s LEU 84 Ca 0.04 -0.92 -0.25 0.00 -1.03 0.00 0.00 54.13 51.97 2dkr s LEU 84 Cb -0.21 -2.14 -0.08 0.00 0.03 0.00 0.00 46.19 43.80 2dkr s LEU 84 CO 0.07 -0.44 0.76 -0.69 0.23 0.00 0.00 176.35 176.29 2dkr s VAL 85 N 1.66 4.39 0.20 -1.59 1.01 -0.15 -1.41 120.40 124.51 2dkr s VAL 85 Ca 0.04 1.68 -0.09 0.00 0.00 0.00 0.00 61.98 63.62 2dkr s VAL 85 Cb -0.19 -4.13 -0.01 0.00 0.00 0.00 0.00 36.38 32.05 2dkr s VAL 85 CO 0.09 0.52 0.32 0.68 0.00 0.00 0.00 175.10 176.72 2dkr s VAL 86 N -1.13 0.03 -0.23 2.92 -7.23 -0.83 -0.54 120.40 113.39 2dkr s VAL 86 Ca 0.35 -1.54 -0.11 0.00 -1.81 0.00 0.00 61.98 58.88 2dkr s VAL 86 Cb -0.23 -2.14 -0.05 0.00 0.56 0.00 0.00 36.38 34.53 2dkr s VAL 86 CO 0.26 -0.11 0.17 -0.13 -0.31 0.00 0.00 175.10 174.97 2dkr s ARG 87 N -4.03 4.11 0.18 4.82 1.81 -1.22 -3.32 118.95 121.31 2dkr s ARG 87 Ca 0.24 -0.22 0.09 0.00 -1.72 0.00 0.00 55.73 54.13 2dkr s ARG 87 Cb 0.03 -3.51 -0.04 0.00 -0.45 0.00 0.00 34.95 30.98 2dkr s ARG 87 CO 0.06 0.12 -0.20 -1.54 -0.68 0.00 0.00 175.30 173.07 2dkr s SER 88 N 0.86 2.94 1.06 0.23 1.04 -1.26 -4.62 113.70 113.95 2dkr s SER 88 Ca 0.08 -0.89 -0.10 0.00 0.48 0.00 0.00 55.95 55.52 2dkr s SER 88 Cb -0.13 -0.19 0.16 0.00 0.10 0.00 0.00 66.02 65.96 2dkr s SER 88 CO 0.03 0.00 0.36 0.61 0.98 0.00 0.00 173.24 175.22 2dkr n GLY 89 N 0.16 -3.11 0.07 7.32 0.00 -1.26 -4.94 105.19 103.43 2dkr n GLY 89 Ca -0.12 -1.01 -0.13 0.00 0.00 0.00 0.00 46.02 44.76 2dkr n GLY 89 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dkr h PRO 90 N 0.00 -0.04 -4.09 1.61 0.13 -2.06 -3.48 132.00 124.07 2dkr h PRO 90 Ca -0.16 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.83 2dkr h PRO 90 Cb 0.55 0.01 -0.13 0.00 0.13 0.00 0.00 31.00 31.55 2dkr h PRO 90 CO 0.10 0.44 -0.43 -1.12 -0.23 0.00 0.00 178.00 176.76 2dkr s SER 91 N -5.64 0.12 -0.49 1.44 0.01 -1.26 -5.12 113.70 102.75 2dkr s SER 91 Ca -0.16 -1.02 -0.23 0.00 1.31 0.00 0.00 55.95 55.85 2dkr s SER 91 Cb 0.02 0.40 0.03 0.00 0.21 0.00 0.00 66.02 66.68 2dkr s SER 91 CO 0.65 -0.86 0.83 -0.55 0.41 0.00 0.00 173.24 173.72 2dkr s SER 92 N -3.01 6.37 0.00 2.44 0.15 -1.26 -5.22 113.70 113.17 2dkr s SER 92 Ca 0.22 -0.26 0.00 0.00 0.70 0.00 0.00 55.95 56.61 2dkr s SER 92 Cb 0.05 -2.40 0.00 0.00 -1.71 0.00 0.00 66.02 61.96 2dkr s SER 92 CO 0.02 -1.02 0.44 0.61 1.20 0.00 0.00 173.24 174.49