#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 0.00 -0.78 1.61 4.64 -2.04 -3.37 113.55 113.60 2dkr h SER 2 Ca 0.00 -0.31 0.23 0.00 -0.47 0.00 0.00 61.79 61.24 2dkr h SER 2 Cb 0.00 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 61.94 2dkr h SER 2 CO 0.00 1.02 0.06 -1.20 -0.87 0.00 0.00 176.83 175.84 2dkr n SER 3 N -4.57 -0.05 0.00 4.97 7.64 -1.26 -4.81 113.62 115.53 2dkr n SER 3 Ca -0.16 1.33 0.00 0.00 1.01 0.00 0.00 58.87 61.05 2dkr n SER 3 Cb 0.41 -0.50 0.00 0.00 -1.01 0.00 0.00 64.21 63.11 2dkr n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dkr n GLY 4 N -1.37 3.44 3.53 0.23 0.00 -1.26 -5.06 105.19 104.69 2dkr n GLY 4 Ca 0.20 -0.85 -0.38 0.00 0.00 0.00 0.00 46.02 44.98 2dkr n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dkr s SER 5 N 0.00 5.82 -0.00 1.61 0.15 -1.26 -4.68 113.70 115.34 2dkr s SER 5 Ca 0.00 -0.23 -0.24 0.00 0.70 0.00 0.00 55.95 56.18 2dkr s SER 5 Cb 0.00 -2.08 -0.15 0.00 -1.71 0.00 0.00 66.02 62.08 2dkr s SER 5 CO 0.00 -0.12 1.09 0.28 1.20 0.00 0.00 173.24 175.69 2dkr h SER 6 N 8.38 -0.42 0.00 5.45 0.02 -1.97 -3.47 113.55 121.54 2dkr h SER 6 Ca -0.34 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 2dkr h SER 6 Cb 1.17 0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.82 2dkr h SER 6 CO 0.59 -0.02 0.00 0.61 -1.14 0.00 0.00 176.83 176.86 2dkr n GLY 7 N -0.16 -1.88 3.61 -3.77 0.00 -1.25 -4.72 105.19 97.01 2dkr n GLY 7 Ca -0.09 0.85 -0.43 0.00 0.00 0.00 0.00 46.02 46.35 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 0.00 3.99 -0.49 1.61 1.01 -1.26 -3.00 120.40 122.25 2dkr s VAL 8 Ca 0.00 1.04 -0.16 0.00 0.00 0.00 0.00 61.98 62.86 2dkr s VAL 8 Cb 0.00 -4.23 0.08 0.00 0.00 0.00 0.00 36.38 32.23 2dkr s VAL 8 CO 0.00 -0.72 0.45 -0.69 0.00 0.00 0.00 175.10 174.14 2dkr s VAL 9 N 5.08 5.18 -0.44 2.92 1.01 -0.35 -4.91 120.40 128.90 2dkr s VAL 9 Ca 0.59 -1.08 -0.19 0.00 0.00 0.00 0.00 61.98 61.29 2dkr s VAL 9 Cb -0.14 -4.19 0.03 0.00 0.00 0.00 0.00 36.38 32.08 2dkr s VAL 9 CO 0.30 -0.67 0.56 -0.70 0.00 0.00 0.00 175.10 174.59 2dkr s GLU 10 N 1.76 3.19 0.11 2.72 2.12 -1.26 -1.19 118.70 126.16 2dkr s GLU 10 Ca 0.05 -0.57 0.05 0.00 0.36 0.00 0.00 54.97 54.86 2dkr s GLU 10 Cb -0.25 -3.97 -0.04 0.00 0.26 0.00 0.00 34.13 30.13 2dkr s GLU 10 CO 0.07 -0.96 0.01 -0.51 -0.54 0.00 0.00 175.26 173.33 2dkr s LEU 11 N 2.52 3.46 0.13 2.70 1.43 -0.48 -4.93 118.68 123.51 2dkr s LEU 11 Ca 0.18 -0.22 -0.31 0.00 -1.03 0.00 0.00 54.13 52.75 2dkr s LEU 11 Cb -0.16 -2.17 -0.08 0.00 0.03 0.00 0.00 46.19 43.82 2dkr s LEU 11 CO 0.16 0.15 1.35 -2.16 0.23 0.00 0.00 176.35 176.08 2dkr s PRO 12 N -2.52 4.35 -0.51 1.29 0.04 -1.26 -1.20 135.00 135.19 2dkr s PRO 12 Ca 0.27 2.04 -0.16 0.00 0.04 0.00 0.00 61.00 63.18 2dkr s PRO 12 Cb -0.11 -3.25 0.10 0.00 0.04 0.00 0.00 34.50 31.29 2dkr s PRO 12 CO 0.19 -0.38 0.45 0.21 0.04 0.00 0.00 177.00 177.51 2dkr s LYS 13 N 0.85 2.99 0.20 4.56 2.47 -0.16 -4.84 119.74 125.81 2dkr s LYS 13 Ca 0.62 -1.55 -0.22 0.00 -1.56 0.00 0.00 55.97 53.26 2dkr s LYS 13 Cb -0.36 -4.23 0.05 0.00 -1.46 0.00 0.00 37.83 31.84 2dkr s LYS 13 CO 0.32 -1.20 0.66 -0.08 0.16 0.00 0.00 175.35 175.21 2dkr s THR 14 N 1.62 0.00 0.47 3.43 -1.32 -1.26 -3.85 115.64 114.73 2dkr s THR 14 Ca 0.04 -0.39 0.39 0.00 -1.21 0.00 0.00 61.69 60.52 2dkr s THR 14 Cb -0.27 -1.40 0.59 0.00 -1.51 0.00 0.00 72.50 69.91 2dkr s THR 14 CO 0.05 0.00 1.49 -0.67 -2.21 0.00 0.00 174.62 173.28 2dkr n ASP 15 N -0.41 0.11 -0.33 8.08 -0.08 -1.26 0.09 116.55 122.76 2dkr n ASP 15 Ca -0.12 1.15 0.23 0.00 -1.51 0.00 0.00 54.79 54.54 2dkr n ASP 15 Cb 0.63 -0.57 0.44 0.00 2.34 0.00 0.00 41.12 43.96 2dkr n ASP 15 CO 0.00 0.00 0.00 1.05 0.12 0.00 0.00 177.20 178.37 2dkr h GLU 16 N 0.00 0.06 0.00 -0.67 4.11 -1.95 -3.47 114.58 112.67 2dkr h GLU 16 Ca 0.87 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.30 2dkr h GLU 16 Cb 3.14 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 32.38 2dkr h GLU 16 CO -0.24 0.04 0.00 0.41 0.07 0.00 0.00 179.01 179.29 2dkr n GLY 17 N -1.36 0.51 0.04 1.06 0.00 0.11 -4.95 105.19 100.61 2dkr n GLY 17 Ca 0.30 -1.85 -0.03 0.00 0.00 0.00 0.00 46.02 44.43 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 -0.66 0.81 0.00 0.99 7.99 -1.26 -4.34 117.00 120.54 2dkr n LEU 18 Ca 0.00 0.20 0.00 0.00 -0.01 0.00 0.00 56.01 56.20 2dkr n LEU 18 Cb 0.00 -0.61 0.00 0.00 -0.11 0.00 0.00 43.42 42.70 2dkr n LEU 18 CO 0.00 -0.42 0.00 0.61 -1.51 0.00 0.00 177.39 176.07 2dkr n GLY 19 N 1.53 0.99 3.16 -0.72 0.00 -1.26 0.86 105.19 109.74 2dkr n GLY 19 Ca -0.05 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.98 -0.19 0.38 1.61 -0.12 -1.26 -0.07 117.98 116.35 2dkr s PHE 20 Ca 0.00 0.41 0.08 0.00 -0.05 0.00 0.00 56.93 57.37 2dkr s PHE 20 Cb 0.00 0.06 -0.07 0.00 -0.63 0.00 0.00 43.02 42.39 2dkr s PHE 20 CO 0.00 -0.23 0.01 -0.80 -0.05 0.00 0.00 175.22 174.15 2dkr s ASN 21 N -0.54 3.98 -0.02 1.98 0.01 -0.29 -5.02 114.94 115.04 2dkr s ASN 21 Ca -0.06 -1.21 -0.07 0.00 -0.71 0.00 0.00 52.86 50.81 2dkr s ASN 21 Cb -0.04 -0.42 0.01 0.00 0.41 0.00 0.00 41.25 41.20 2dkr s ASN 21 CO 0.02 -0.35 0.15 0.27 -1.51 0.00 0.00 177.10 175.68 2dkr s ILE 22 N -2.63 0.06 0.47 0.60 -4.36 -1.26 -3.27 121.20 110.81 2dkr s ILE 22 Ca 0.35 -0.46 0.03 0.00 -0.26 0.00 0.00 60.65 60.31 2dkr s ILE 22 Cb 0.05 -0.38 -0.03 0.00 1.25 0.00 0.00 42.46 43.35 2dkr s ILE 22 CO 0.19 -0.25 0.02 -0.04 0.24 0.00 0.00 174.94 175.09 2dkr s MET 23 N -0.89 2.09 1.74 0.37 -1.94 -1.00 -4.92 119.30 114.76 2dkr s MET 23 Ca -0.10 -2.29 0.00 0.00 -1.71 0.00 0.00 55.69 51.59 2dkr s MET 23 Cb -0.05 -1.44 0.00 0.00 2.01 0.00 0.00 34.83 35.34 2dkr s MET 23 CO 0.01 -0.29 0.00 0.41 -0.01 0.00 0.00 175.02 175.14 2dkr n GLY 24 N -1.14 -1.61 0.00 -0.03 0.00 -1.26 -3.50 105.19 97.65 2dkr n GLY 24 Ca -0.14 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.52 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 0.31 0.06 -0.02 0.00 -0.79 -4.48 105.19 100.26 2dkr n GLY 25 Ca 0.00 -0.94 -0.05 0.00 0.00 0.00 0.00 46.02 45.04 2dkr n GLY 25 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2dkr n LYS 26 N 0.00 0.37 0.07 1.61 3.00 -1.26 -3.34 118.16 118.61 2dkr n LYS 26 Ca 0.00 0.36 -0.14 0.00 -0.00 0.00 0.00 58.31 58.53 2dkr n LYS 26 Cb 0.00 -1.39 -0.08 0.00 0.00 0.00 0.00 35.03 33.56 2dkr n LYS 26 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 2dkr h GLU 27 N -0.77 -0.60 -0.32 1.64 4.81 -1.95 0.15 114.58 117.54 2dkr h GLU 27 Ca 0.00 0.04 0.09 0.00 -0.13 0.00 0.00 59.36 59.36 2dkr h GLU 27 Cb 0.53 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.03 2dkr h GLU 27 CO 0.00 -0.40 0.47 0.37 -0.73 0.00 0.00 179.01 178.72 2dkr h GLN 28 N -0.62 0.00 -4.97 1.92 4.15 -1.89 -3.45 115.11 110.25 2dkr h GLN 28 Ca 0.03 0.00 -0.29 0.00 0.77 0.00 0.00 58.65 59.17 2dkr h GLN 28 Cb 0.69 0.00 0.13 0.00 0.21 0.00 0.00 27.48 28.51 2dkr h GLN 28 CO -0.32 0.00 -0.60 -1.71 -1.93 0.00 0.00 178.83 174.27 2dkr n ASN 29 N -3.42 -3.15 -3.86 -0.69 2.85 0.52 -4.94 115.26 102.57 2dkr n ASN 29 Ca 0.05 -0.48 -0.10 0.00 -0.11 0.00 0.00 54.58 53.94 2dkr n ASN 29 Cb 0.62 -4.25 -0.08 0.00 1.24 0.00 0.00 39.78 37.31 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 -3.84 0.07 0.30 1.20 0.01 -1.21 -5.00 113.70 105.22 2dkr s SER 30 Ca 0.15 -0.46 -0.29 0.00 1.31 0.00 0.00 55.95 56.66 2dkr s SER 30 Cb -0.07 0.30 -0.10 0.00 0.21 0.00 0.00 66.02 66.36 2dkr s SER 30 CO 0.59 -0.60 1.23 -2.16 0.41 0.00 0.00 173.24 172.72 2dkr s PRO 31 N -2.95 4.46 -0.10 12.44 0.04 -1.26 -1.89 135.00 145.73 2dkr s PRO 31 Ca -0.02 2.06 -0.30 0.00 0.04 0.00 0.00 61.00 62.78 2dkr s PRO 31 Cb 0.01 -3.13 -0.02 0.00 0.04 0.00 0.00 34.50 31.40 2dkr s PRO 31 CO -0.06 -0.06 1.14 0.42 0.04 0.00 0.00 177.00 178.48 2dkr s ILE 32 N -1.01 4.45 0.26 0.56 1.09 -1.26 -4.66 121.20 120.63 2dkr s ILE 32 Ca 0.48 1.75 0.00 0.00 -1.10 0.00 0.00 60.65 61.78 2dkr s ILE 32 Cb -0.37 -4.12 -0.03 0.00 -1.06 0.00 0.00 42.46 36.88 2dkr s ILE 32 CO 0.47 -0.04 0.25 -0.72 -0.10 0.00 0.00 174.94 174.81 2dkr s TYR 33 N 2.44 1.26 -0.36 3.97 -0.85 -1.23 0.45 117.35 123.03 2dkr s TYR 33 Ca 0.52 -1.40 -0.26 0.00 -0.52 0.00 0.00 57.07 55.41 2dkr s TYR 33 Cb -0.22 -0.48 0.02 0.00 0.38 0.00 0.00 41.96 41.66 2dkr s TYR 33 CO 0.18 -0.81 0.96 0.42 -1.52 0.00 0.00 175.55 174.79 2dkr s ILE 34 N -3.79 4.56 -0.18 -3.49 -1.09 -1.15 -2.38 121.20 113.68 2dkr s ILE 34 Ca 0.37 1.29 0.08 0.00 -2.23 0.00 0.00 60.65 60.16 2dkr s ILE 34 Cb 0.04 -4.36 -0.22 0.00 -1.58 0.00 0.00 42.46 36.34 2dkr s ILE 34 CO 0.18 -0.55 0.10 -0.24 -1.23 0.00 0.00 174.94 173.20 2dkr n SER 35 N 6.84 1.09 -3.92 3.58 2.88 -1.20 0.10 113.62 122.99 2dkr n SER 35 Ca 0.08 0.05 -0.16 0.00 -1.33 0.00 0.00 58.87 57.51 2dkr n SER 35 Cb 0.48 0.11 -0.15 0.00 -0.75 0.00 0.00 64.21 63.90 2dkr n SER 35 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 2dkr s ARG 36 N -2.53 0.41 -0.07 -1.46 3.52 -1.26 -4.92 118.95 112.64 2dkr s ARG 36 Ca -0.19 -0.12 0.02 0.00 -0.13 0.00 0.00 55.73 55.31 2dkr s ARG 36 Cb 0.07 -0.43 0.02 0.00 -1.56 0.00 0.00 34.95 33.05 2dkr s ARG 36 CO 0.74 0.04 -0.11 0.08 -0.81 0.00 0.00 175.30 175.24 2dkr s VAL 37 N 0.20 1.08 -0.02 7.11 1.01 -1.26 -1.13 120.40 127.39 2dkr s VAL 37 Ca -0.02 -0.43 -0.30 0.00 0.00 0.00 0.00 61.98 61.23 2dkr s VAL 37 Cb -0.05 -1.01 -0.07 0.00 0.00 0.00 0.00 36.38 35.25 2dkr s VAL 37 CO -0.00 0.35 1.72 -0.63 0.00 0.00 0.00 175.10 176.53 2dkr s ILE 38 N 0.83 3.39 -2.00 2.22 -1.09 0.90 -4.85 121.20 120.60 2dkr s ILE 38 Ca -0.12 0.53 0.09 0.00 -2.23 0.00 0.00 60.65 58.92 2dkr s ILE 38 Cb -0.15 -3.34 0.24 0.00 -1.58 0.00 0.00 42.46 37.63 2dkr s ILE 38 CO 0.02 -0.04 0.96 -0.81 -1.23 0.00 0.00 174.94 173.83 2dkr n PRO 39 N 7.01 0.49 -2.73 2.79 -0.04 -1.26 -3.04 135.00 138.22 2dkr n PRO 39 Ca 0.18 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.60 2dkr n PRO 39 Cb 0.42 -1.27 0.09 0.00 -0.04 0.00 0.00 33.50 32.70 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 1.77 0.00 0.55 0.00 -1.26 -4.96 105.19 101.27 2dkr n GLY 40 Ca 0.06 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.86 5.64 0.16 -0.02 0.00 -1.17 -5.01 105.19 103.93 2dkr n GLY 41 Ca -0.03 -1.88 -0.22 0.00 0.00 0.00 0.00 46.02 43.89 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 0.44 1.32 -0.94 1.61 2.07 0.27 -1.66 116.25 119.35 2dkr h VAL 42 Ca 0.00 -2.42 0.14 0.00 0.82 0.00 0.00 66.70 65.24 2dkr h VAL 42 Cb 0.00 2.73 -0.09 0.00 -1.52 0.00 0.00 31.29 32.41 2dkr h VAL 42 CO 0.00 0.73 0.56 0.00 0.02 0.00 0.00 177.57 178.88 2dkr h ALA 43 N 0.27 1.44 0.00 1.67 0.00 -0.88 0.20 119.26 121.96 2dkr h ALA 43 Ca -0.17 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2dkr h ALA 43 Cb 1.82 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.48 2dkr h ALA 43 CO 0.22 0.07 -0.13 0.22 0.00 0.00 0.00 179.25 179.63 2dkr h ASP 44 N 0.83 0.00 -0.91 0.00 3.58 -1.73 -3.36 116.42 114.82 2dkr h ASP 44 Ca 0.49 -0.23 0.25 0.00 0.42 0.00 0.00 57.03 57.97 2dkr h ASP 44 Cb 0.60 0.00 -0.16 0.00 1.72 0.00 0.00 39.33 41.49 2dkr h ASP 44 CO -0.31 0.68 0.13 0.03 -2.88 0.00 0.00 179.24 176.89 2dkr h ARG 45 N -1.00 0.09 -0.62 0.28 3.08 -1.20 0.16 114.38 115.18 2dkr h ARG 45 Ca -0.02 -0.01 0.12 0.00 0.07 0.00 0.00 59.98 60.15 2dkr h ARG 45 Cb 0.34 -0.02 -0.12 0.00 0.08 0.00 0.00 29.97 30.25 2dkr h ARG 45 CO -0.01 0.06 -0.25 1.25 -1.07 0.00 0.00 179.97 179.95 2dkr h HIS 46 N 0.10 -0.64 -1.60 3.04 2.76 -1.10 -3.47 115.15 114.24 2dkr h HIS 46 Ca 0.57 0.07 0.00 0.00 -2.20 0.00 0.00 60.37 58.80 2dkr h HIS 46 Cb 1.17 0.38 0.00 0.00 1.55 0.00 0.00 27.41 30.50 2dkr h HIS 46 CO -0.37 -0.34 0.00 0.41 -1.30 0.00 0.00 177.93 176.33 2dkr n GLY 47 N -1.45 0.77 0.30 5.26 0.00 0.57 -5.00 105.19 105.64 2dkr n GLY 47 Ca 0.06 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.74 0.05 3.70 -0.02 0.00 -1.26 -5.12 105.19 101.80 2dkr n GLY 48 Ca 0.00 -0.08 -0.41 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 -2.84 4.28 0.18 0.99 1.43 -1.26 -5.05 118.68 116.42 2dkr s LEU 49 Ca 0.00 1.29 0.03 0.00 -1.03 0.00 0.00 54.13 54.42 2dkr s LEU 49 Cb 0.00 -3.25 -0.05 0.00 0.03 0.00 0.00 46.19 42.93 2dkr s LEU 49 CO 0.00 -0.24 -0.02 -0.54 0.23 0.00 0.00 176.35 175.78 2dkr s LYS 50 N 1.29 1.16 -0.21 1.70 1.02 -1.26 -4.72 119.74 118.72 2dkr s LYS 50 Ca 0.41 -1.56 -0.29 0.00 0.02 0.00 0.00 55.97 54.56 2dkr s LYS 50 Cb -0.18 -0.42 -0.04 0.00 -0.52 0.00 0.00 37.83 36.67 2dkr s LYS 50 CO 0.18 -0.09 1.92 0.50 -0.92 0.00 0.00 175.35 176.95 2dkr s ARG 51 N -3.87 3.49 0.00 1.68 3.52 -1.26 -2.39 118.95 120.12 2dkr s ARG 51 Ca 0.24 1.86 0.00 0.00 -0.13 0.00 0.00 55.73 57.70 2dkr s ARG 51 Cb 0.05 -4.21 0.00 0.00 -1.56 0.00 0.00 34.95 29.23 2dkr s ARG 51 CO 0.05 -1.68 0.00 0.41 -0.81 0.00 0.00 175.30 173.27 2dkr n GLY 52 N 5.23 0.89 3.47 8.12 0.00 0.29 -4.92 105.19 118.27 2dkr n GLY 52 Ca 0.24 -0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.78 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 2.15 -4.65 1.61 9.92 -1.00 -4.48 116.55 120.10 2dkr n ASP 53 Ca 0.00 0.29 -0.43 0.00 -0.53 0.00 0.00 54.79 54.12 2dkr n ASP 53 Cb 0.00 -1.30 -0.02 0.00 -0.64 0.00 0.00 41.12 39.15 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 6.59 4.04 -0.33 -1.24 -0.44 -1.26 -2.92 119.66 124.09 2dkr s GLN 54 Ca 1.09 1.78 -0.28 0.00 -2.50 0.00 0.00 55.36 55.46 2dkr s GLN 54 Cb -0.77 -3.93 -0.04 0.00 -1.64 0.00 0.00 33.01 26.63 2dkr s GLN 54 CO 0.46 -0.98 2.12 -1.17 0.50 0.00 0.00 175.29 176.21 2dkr s LEU 55 N 4.30 3.44 -0.09 3.68 2.96 0.17 -3.51 118.68 129.62 2dkr s LEU 55 Ca 0.66 1.46 -0.03 0.00 -0.22 0.00 0.00 54.13 55.99 2dkr s LEU 55 Cb -0.26 -3.24 -0.02 0.00 0.50 0.00 0.00 46.19 43.16 2dkr s LEU 55 CO 0.25 -2.11 0.13 -0.07 -1.32 0.00 0.00 176.35 173.23 2dkr h LEU 56 N 15.70 -0.07 -7.43 -0.68 3.38 -0.30 -3.35 115.31 122.56 2dkr h LEU 56 Ca -0.35 -0.04 -0.14 0.00 0.09 0.00 0.00 57.88 57.45 2dkr h LEU 56 Cb 1.22 0.02 -0.23 0.00 0.09 0.00 0.00 40.66 41.75 2dkr h LEU 56 CO 1.04 0.44 -0.32 -0.94 0.09 0.00 0.00 178.44 178.75 2dkr s SER 57 N -5.49 -0.30 -0.04 -0.43 1.04 -1.10 -2.76 113.70 104.62 2dkr s SER 57 Ca -0.02 0.51 0.05 0.00 0.48 0.00 0.00 55.95 56.97 2dkr s SER 57 Cb 0.00 0.58 -0.01 0.00 0.10 0.00 0.00 66.02 66.69 2dkr s SER 57 CO 0.06 -0.21 -0.18 -0.69 0.98 0.00 0.00 173.24 173.21 2dkr s VAL 58 N -0.24 1.49 -1.33 5.02 1.01 -0.18 -0.22 120.40 125.94 2dkr s VAL 58 Ca -0.04 -0.76 -0.05 0.00 0.00 0.00 0.00 61.98 61.13 2dkr s VAL 58 Cb -0.03 -1.26 0.03 0.00 0.00 0.00 0.00 36.38 35.12 2dkr s VAL 58 CO 0.01 0.42 0.37 0.59 0.00 0.00 0.00 175.10 176.50 2dkr n ASN 59 N 2.98 -4.56 -1.24 3.32 5.03 0.04 -0.64 115.26 120.19 2dkr n ASN 59 Ca -0.17 -0.19 -0.09 0.00 0.87 0.00 0.00 54.58 54.99 2dkr n ASN 59 Cb 0.53 -3.77 0.00 0.00 -1.02 0.00 0.00 39.78 35.53 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 -1.17 0.06 3.07 7.41 0.00 -1.26 -5.02 105.19 108.28 2dkr n GLY 60 Ca -0.09 -0.45 -0.21 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.62 0.94 -0.56 1.61 1.01 0.19 -5.10 120.40 115.87 2dkr s VAL 61 Ca 0.06 -0.51 -0.28 0.00 0.00 0.00 0.00 61.98 61.25 2dkr s VAL 61 Cb -0.03 -0.79 0.02 0.00 0.00 0.00 0.00 36.38 35.58 2dkr s VAL 61 CO 0.08 0.27 1.34 -0.55 0.00 0.00 0.00 175.10 176.23 2dkr s SER 62 N -0.25 6.24 -0.08 3.32 0.15 -1.26 -1.01 113.70 120.82 2dkr s SER 62 Ca 0.04 0.25 0.02 0.00 0.70 0.00 0.00 55.95 56.96 2dkr s SER 62 Cb -0.05 -2.55 -0.25 0.00 -1.71 0.00 0.00 66.02 61.46 2dkr s SER 62 CO -0.00 -1.62 0.54 -0.37 1.20 0.00 0.00 173.24 172.98 2dkr h VAL 63 N 6.31 0.76 -0.82 4.45 -1.51 -1.81 -3.37 116.25 120.26 2dkr h VAL 63 Ca -0.26 -2.53 0.32 0.00 -1.23 0.00 0.00 66.70 62.99 2dkr h VAL 63 Cb 1.08 2.49 -0.15 0.00 -2.13 0.00 0.00 31.29 32.58 2dkr h VAL 63 CO 1.18 0.72 0.36 -0.62 -1.23 0.00 0.00 177.57 177.97 2dkr n GLU 64 N -3.29 -0.05 -2.32 5.19 1.02 -1.15 0.76 120.64 120.80 2dkr n GLU 64 Ca -0.24 1.14 -0.34 0.00 -0.02 0.00 0.00 57.16 57.70 2dkr n GLU 64 Cb 1.05 -2.01 0.02 0.00 -0.02 0.00 0.00 31.44 30.48 2dkr n GLU 64 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2dkr n GLY 65 N -1.25 5.78 3.41 0.62 0.00 -1.26 -4.90 105.19 107.59 2dkr n GLY 65 Ca 0.29 -2.62 -0.12 0.00 0.00 0.00 0.00 46.02 43.56 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 -3.87 1.50 0.15 1.61 0.41 0.23 -5.09 118.70 113.64 2dkr s GLU 66 Ca 0.49 -1.53 -0.24 0.00 -0.41 0.00 0.00 54.97 53.27 2dkr s GLU 66 Cb 0.38 0.38 -0.08 0.00 -1.78 0.00 0.00 34.13 33.03 2dkr s GLU 66 CO -0.27 -0.58 0.75 -1.14 -0.49 0.00 0.00 175.26 173.52 2dkr s GLN 67 N -3.85 4.52 0.20 1.61 2.00 -1.26 -4.05 119.66 118.82 2dkr s GLN 67 Ca 0.31 1.10 -0.11 0.00 -2.00 0.00 0.00 55.36 54.66 2dkr s GLN 67 Cb 0.02 -3.26 0.26 0.00 0.80 0.00 0.00 33.01 30.84 2dkr s GLN 67 CO 0.13 0.57 1.22 1.58 -0.50 0.00 0.00 175.29 178.30 2dkr n HIS 68 N 1.65 0.14 -0.30 1.67 -0.00 -1.26 0.17 115.22 117.29 2dkr n HIS 68 Ca -0.06 0.96 0.14 0.00 -0.00 0.00 0.00 57.72 58.76 2dkr n HIS 68 Cb 0.49 -0.86 0.31 0.00 -0.00 0.00 0.00 29.99 29.92 2dkr n HIS 68 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.34 177.27 2dkr h GLU 69 N 0.00 0.20 0.27 1.57 5.08 -1.92 -1.22 114.58 118.55 2dkr h GLU 69 Ca 0.32 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.67 2dkr h GLU 69 Cb 0.52 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 2dkr h GLU 69 CO -0.79 0.13 -0.44 -0.22 -1.00 0.00 0.00 179.01 176.69 2dkr h LYS 70 N 0.21 -0.72 -0.99 2.33 1.63 0.14 0.30 116.57 119.47 2dkr h LYS 70 Ca 0.57 0.05 0.31 0.00 -0.85 0.00 0.00 60.65 60.73 2dkr h LYS 70 Cb 1.17 0.16 -0.15 0.00 -0.60 0.00 0.00 32.23 32.81 2dkr h LYS 70 CO -0.66 -0.48 0.52 0.00 -3.45 0.00 0.00 179.45 175.38 2dkr h ALA 71 N -0.88 1.86 -0.18 5.00 0.00 -1.19 0.28 119.26 124.15 2dkr h ALA 71 Ca -0.03 0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 2dkr h ALA 71 Cb 0.69 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2dkr h ALA 71 CO -0.15 -0.56 -0.32 0.28 0.00 0.00 0.00 179.25 178.50 2dkr h VAL 72 N 0.31 1.34 -0.61 0.00 2.07 -0.91 -3.03 116.25 115.42 2dkr h VAL 72 Ca 0.71 -1.56 0.05 0.00 0.82 0.00 0.00 66.70 66.72 2dkr h VAL 72 Cb 1.59 1.91 -0.05 0.00 -1.52 0.00 0.00 31.29 33.22 2dkr h VAL 72 CO -0.62 0.48 0.33 -0.33 0.02 0.00 0.00 177.57 177.45 2dkr h GLU 73 N 0.18 0.60 0.09 1.57 4.39 0.30 -2.65 114.58 119.06 2dkr h GLU 73 Ca 0.01 -0.04 0.01 0.00 0.34 0.00 0.00 59.36 59.69 2dkr h GLU 73 Cb 0.92 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.41 2dkr h GLU 73 CO 0.07 0.39 -0.18 -0.07 -1.16 0.00 0.00 179.01 178.07 2dkr h LEU 74 N 0.61 -0.49 -0.86 1.33 3.38 -1.08 0.16 115.31 118.37 2dkr h LEU 74 Ca 0.27 0.06 0.22 0.00 0.09 0.00 0.00 57.88 58.52 2dkr h LEU 74 Cb 0.17 0.19 -0.14 0.00 0.09 0.00 0.00 40.66 40.97 2dkr h LEU 74 CO -0.18 -0.25 0.17 -0.07 0.09 0.00 0.00 178.44 178.20 2dkr h LEU 75 N -0.34 -0.11 -0.12 1.67 3.38 -1.35 0.12 115.31 118.57 2dkr h LEU 75 Ca 0.03 0.20 -0.12 0.00 0.09 0.00 0.00 57.88 58.08 2dkr h LEU 75 Cb 0.36 0.30 0.00 0.00 0.09 0.00 0.00 40.66 41.41 2dkr h LEU 75 CO -0.10 -0.17 -0.40 0.11 0.09 0.00 0.00 178.44 177.97 2dkr h LYS 76 N 0.17 0.48 -0.97 1.13 6.56 -1.22 -3.20 116.57 119.51 2dkr h LYS 76 Ca 0.52 -0.35 0.15 0.00 -1.06 0.00 0.00 60.65 59.91 2dkr h LYS 76 Cb 1.03 0.06 -0.09 0.00 -0.57 0.00 0.00 32.23 32.66 2dkr h LYS 76 CO -0.67 0.98 0.61 0.00 -2.06 0.00 0.00 179.45 178.31 2dkr h ALA 77 N 0.50 1.69 -2.21 3.86 0.00 0.15 -3.42 119.26 119.84 2dkr h ALA 77 Ca -0.02 0.04 -0.49 0.00 0.00 0.00 0.00 54.91 54.44 2dkr h ALA 77 Cb 1.02 -0.14 0.21 0.00 0.00 0.00 0.00 17.79 18.88 2dkr h ALA 77 CO 0.08 0.02 0.10 0.00 0.00 0.00 0.00 179.25 179.45 2dkr n ALA 78 N -2.37 -1.71 -3.22 0.00 0.00 0.20 -5.05 120.51 108.36 2dkr n ALA 78 Ca 0.20 -0.81 -0.13 0.00 0.00 0.00 0.00 53.44 52.70 2dkr n ALA 78 Cb 0.48 -2.11 -0.10 0.00 0.00 0.00 0.00 19.45 17.72 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 -4.51 0.45 0.00 0.00 -1.52 -1.26 -4.93 119.66 107.88 2dkr s GLN 79 Ca 0.67 0.28 0.00 0.00 -1.95 0.00 0.00 55.36 54.36 2dkr s GLN 79 Cb -0.24 0.21 0.00 0.00 -0.22 0.00 0.00 33.01 32.76 2dkr s GLN 79 CO 0.61 -0.08 0.00 0.41 -0.25 0.00 0.00 175.29 175.98 2dkr n GLY 80 N 2.49 1.28 3.53 3.09 0.00 -1.25 -4.75 105.19 109.57 2dkr n GLY 80 Ca -0.15 -0.01 -0.15 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 -0.64 0.03 1.61 1.04 -1.26 -0.99 113.70 113.49 2dkr s SER 81 Ca 0.00 1.10 0.07 0.00 0.48 0.00 0.00 55.95 57.60 2dkr s SER 81 Cb 0.00 1.09 -0.03 0.00 0.10 0.00 0.00 66.02 67.17 2dkr s SER 81 CO 0.00 -0.33 -0.18 0.68 0.98 0.00 0.00 173.24 174.39 2dkr s VAL 82 N -0.10 2.78 -0.28 5.02 -7.23 -0.34 -4.85 120.40 115.39 2dkr s VAL 82 Ca -0.03 -1.15 -0.05 0.00 -1.81 0.00 0.00 61.98 58.94 2dkr s VAL 82 Cb -0.03 -2.16 0.01 0.00 0.56 0.00 0.00 36.38 34.76 2dkr s VAL 82 CO 0.03 0.36 0.03 -0.54 -0.31 0.00 0.00 175.10 174.67 2dkr s LYS 83 N -1.36 3.03 -0.32 4.82 1.02 -1.26 -1.39 119.74 124.27 2dkr s LYS 83 Ca 0.14 -0.88 -0.02 0.00 0.02 0.00 0.00 55.97 55.23 2dkr s LYS 83 Cb -0.10 -3.23 0.06 0.00 -0.52 0.00 0.00 37.83 34.04 2dkr s LYS 83 CO 0.05 -0.42 0.05 -0.51 -0.92 0.00 0.00 175.35 173.60 2dkr s LEU 84 N 1.44 4.22 -0.08 3.17 1.43 -0.33 -0.78 118.68 127.76 2dkr s LEU 84 Ca 0.02 -1.45 -0.20 0.00 -1.03 0.00 0.00 54.13 51.47 2dkr s LEU 84 Cb -0.17 -1.74 -0.04 0.00 0.03 0.00 0.00 46.19 44.27 2dkr s LEU 84 CO 0.00 -0.32 0.55 -0.69 0.23 0.00 0.00 176.35 176.12 2dkr s VAL 85 N 1.22 5.09 0.30 -1.59 1.01 0.69 -1.21 120.40 125.92 2dkr s VAL 85 Ca -0.02 1.13 0.03 0.00 0.00 0.00 0.00 61.98 63.11 2dkr s VAL 85 Cb -0.20 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 2dkr s VAL 85 CO -0.02 0.34 0.12 0.68 0.00 0.00 0.00 175.10 176.22 2dkr s VAL 86 N 0.41 0.55 -0.29 2.92 -7.23 -1.16 0.46 120.40 116.05 2dkr s VAL 86 Ca 0.30 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.46 2dkr s VAL 86 Cb -0.16 -2.57 0.05 0.00 0.56 0.00 0.00 36.38 34.26 2dkr s VAL 86 CO 0.14 0.00 -0.02 -0.60 -0.31 0.00 0.00 175.10 174.31 2dkr s ARG 87 N -3.89 2.38 0.20 4.82 6.06 -1.23 -3.85 118.95 123.44 2dkr s ARG 87 Ca 0.35 -1.30 -0.06 0.00 -2.50 0.00 0.00 55.73 52.22 2dkr s ARG 87 Cb 0.06 -3.13 -0.06 0.00 0.06 0.00 0.00 34.95 31.88 2dkr s ARG 87 CO 0.16 -0.62 0.46 0.45 -2.50 0.00 0.00 175.30 173.24 2dkr s SER 88 N 1.23 6.52 -0.02 -2.12 0.15 -1.26 -4.55 113.70 113.65 2dkr s SER 88 Ca -0.06 0.70 -0.02 0.00 0.70 0.00 0.00 55.95 57.28 2dkr s SER 88 Cb -0.20 -2.14 -0.04 0.00 -1.71 0.00 0.00 66.02 61.94 2dkr s SER 88 CO -0.02 -0.04 0.10 -0.83 1.20 0.00 0.00 173.24 173.66 2dkr s GLY 89 N -2.59 2.05 0.00 9.45 0.00 -1.26 -4.98 107.32 109.99 2dkr s GLY 89 Ca 0.43 -0.83 0.15 0.00 0.00 0.00 0.00 44.72 44.47 2dkr s GLY 89 CO 0.25 -0.69 1.41 -1.55 0.00 0.00 0.00 173.10 172.53 2dkr n PRO 90 N 1.26 0.18 -3.78 2.90 -0.04 -1.26 -4.79 135.00 129.47 2dkr n PRO 90 Ca -0.13 0.16 -0.09 0.00 -0.04 0.00 0.00 63.50 63.40 2dkr n PRO 90 Cb 0.53 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.45 2dkr n PRO 90 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dkr s SER 91 N -2.64 -0.25 0.06 3.54 0.15 -1.26 -5.17 113.70 108.13 2dkr s SER 91 Ca 0.13 -0.54 0.09 0.00 0.70 0.00 0.00 55.95 56.33 2dkr s SER 91 Cb 0.10 0.60 -0.03 0.00 -1.71 0.00 0.00 66.02 64.98 2dkr s SER 91 CO 0.23 -1.10 -0.24 -0.55 1.20 0.00 0.00 173.24 172.78 2dkr s SER 92 N -2.89 3.37 0.00 5.45 0.15 -1.26 -5.19 113.70 113.32 2dkr s SER 92 Ca 0.11 -0.57 0.00 0.00 0.70 0.00 0.00 55.95 56.19 2dkr s SER 92 Cb -0.02 -0.37 0.00 0.00 -1.71 0.00 0.00 66.02 63.93 2dkr s SER 92 CO -0.00 0.25 0.00 0.61 1.20 0.00 0.00 173.24 175.29