#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dkr n SER 2 N 0.00 -0.63 -4.74 1.61 2.88 -1.26 -4.38 113.62 107.10 2dkr n SER 2 Ca 0.00 1.37 -0.33 0.00 -1.33 0.00 0.00 58.87 58.58 2dkr n SER 2 Cb 0.00 -0.26 0.08 0.00 -0.75 0.00 0.00 64.21 63.29 2dkr n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dkr s SER 3 N -5.32 4.42 0.00 -3.46 0.15 -1.26 -5.04 113.70 103.19 2dkr s SER 3 Ca -0.10 2.16 0.00 0.00 0.70 0.00 0.00 55.95 58.71 2dkr s SER 3 Cb 0.13 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.87 2dkr s SER 3 CO 0.53 -2.10 0.00 0.61 1.20 0.00 0.00 173.24 173.47 2dkr n GLY 4 N -0.10 1.53 3.79 9.45 0.00 -1.26 -5.04 105.19 113.56 2dkr n GLY 4 Ca 0.12 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.00 5.43 0.42 1.61 0.01 -1.26 -5.04 113.70 113.87 2dkr s SER 5 Ca 0.00 -0.22 -0.13 0.00 1.31 0.00 0.00 55.95 56.91 2dkr s SER 5 Cb 0.00 -1.37 -0.07 0.00 0.21 0.00 0.00 66.02 64.78 2dkr s SER 5 CO 0.00 0.02 0.82 -0.55 0.41 0.00 0.00 173.24 173.95 2dkr s SER 6 N -3.41 6.60 -0.88 2.44 0.15 -1.26 -4.93 113.70 112.40 2dkr s SER 6 Ca 0.31 1.28 -0.24 0.00 0.70 0.00 0.00 55.95 58.01 2dkr s SER 6 Cb -0.09 -2.38 -0.16 0.00 -1.71 0.00 0.00 66.02 61.68 2dkr s SER 6 CO 0.24 -0.41 1.91 0.61 1.20 0.00 0.00 173.24 176.78 2dkr n GLY 7 N -1.19 1.50 3.74 9.45 0.00 -1.26 -4.91 105.19 112.52 2dkr n GLY 7 Ca 0.04 -0.90 -0.41 0.00 0.00 0.00 0.00 46.02 44.75 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 8.57 4.60 -0.36 1.61 0.11 -1.26 -3.40 120.40 130.27 2dkr s VAL 8 Ca 0.65 1.88 -0.01 0.00 -2.93 0.00 0.00 61.98 61.57 2dkr s VAL 8 Cb 0.07 -4.23 0.09 0.00 -1.53 0.00 0.00 36.38 30.77 2dkr s VAL 8 CO 0.16 0.34 0.10 -0.69 -3.33 0.00 0.00 175.10 171.67 2dkr s VAL 9 N -0.03 2.95 -0.30 2.04 1.01 0.15 -4.98 120.40 121.24 2dkr s VAL 9 Ca 0.43 -1.90 -0.25 0.00 0.00 0.00 0.00 61.98 60.26 2dkr s VAL 9 Cb -0.22 -2.94 0.01 0.00 0.00 0.00 0.00 36.38 33.22 2dkr s VAL 9 CO 0.27 -0.48 0.88 -0.70 0.00 0.00 0.00 175.10 175.07 2dkr s GLU 10 N 1.12 4.01 0.14 2.72 -6.30 -1.26 -2.28 118.70 116.85 2dkr s GLU 10 Ca 0.04 0.76 0.09 0.00 -2.50 0.00 0.00 54.97 53.36 2dkr s GLU 10 Cb -0.21 -3.72 -0.04 0.00 0.00 0.00 0.00 34.13 30.16 2dkr s GLU 10 CO -0.04 -0.73 -0.17 -0.51 0.02 0.00 0.00 175.26 173.83 2dkr s LEU 11 N 3.14 2.74 0.03 2.70 1.43 -0.87 -5.00 118.68 122.86 2dkr s LEU 11 Ca 0.36 -0.59 -0.30 0.00 -1.03 0.00 0.00 54.13 52.57 2dkr s LEU 11 Cb -0.14 -1.54 -0.06 0.00 0.03 0.00 0.00 46.19 44.48 2dkr s LEU 11 CO 0.13 0.16 1.42 -2.16 0.23 0.00 0.00 176.35 176.12 2dkr s PRO 12 N -2.33 4.29 -0.41 1.29 0.04 -1.26 -1.97 135.00 134.64 2dkr s PRO 12 Ca 0.20 2.02 -0.20 0.00 0.04 0.00 0.00 61.00 63.05 2dkr s PRO 12 Cb -0.10 -3.50 0.02 0.00 0.04 0.00 0.00 34.50 30.96 2dkr s PRO 12 CO 0.11 -0.55 0.63 0.21 0.04 0.00 0.00 177.00 177.43 2dkr s LYS 13 N 2.12 3.38 -0.08 4.56 2.47 -0.01 -4.83 119.74 127.35 2dkr s LYS 13 Ca 0.65 -0.28 -0.30 0.00 -1.56 0.00 0.00 55.97 54.48 2dkr s LYS 13 Cb -0.33 -3.91 0.11 0.00 -1.46 0.00 0.00 37.83 32.23 2dkr s LYS 13 CO 0.28 -0.92 0.90 -0.08 0.16 0.00 0.00 175.35 175.68 2dkr s THR 14 N 2.75 0.00 0.33 3.43 -1.32 -1.26 -3.86 115.64 115.71 2dkr s THR 14 Ca 0.22 0.00 0.19 0.00 -1.21 0.00 0.00 61.69 60.90 2dkr s THR 14 Cb -0.14 -1.00 0.32 0.00 -1.51 0.00 0.00 72.50 70.17 2dkr s THR 14 CO 0.18 0.00 1.36 -0.90 -2.21 0.00 0.00 174.62 173.05 2dkr n ASP 15 N 0.42 0.29 -0.29 8.08 5.75 -1.26 -0.11 116.55 129.43 2dkr n ASP 15 Ca -0.11 1.40 0.06 0.00 -0.01 0.00 0.00 54.79 56.13 2dkr n ASP 15 Cb 0.59 -0.68 0.14 0.00 -1.03 0.00 0.00 41.12 40.13 2dkr n ASP 15 CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 2dkr n GLU 16 N -4.88 -0.07 0.00 0.11 4.07 -1.26 -4.90 120.64 113.70 2dkr n GLU 16 Ca 0.33 1.28 0.00 0.00 -0.06 0.00 0.00 57.16 58.71 2dkr n GLU 16 Cb 1.14 -1.93 0.00 0.00 -0.06 0.00 0.00 31.44 30.59 2dkr n GLU 16 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2dkr n GLY 17 N -1.50 2.01 0.11 8.31 0.00 0.85 -4.96 105.19 110.01 2dkr n GLY 17 Ca 0.14 -2.08 -0.20 0.00 0.00 0.00 0.00 46.02 43.88 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 1.93 0.00 0.99 7.99 -1.26 -4.68 117.00 121.97 2dkr n LEU 18 Ca 0.00 0.37 0.00 0.00 -0.01 0.00 0.00 56.01 56.37 2dkr n LEU 18 Cb 0.00 -0.81 0.00 0.00 -0.11 0.00 0.00 43.42 42.50 2dkr n LEU 18 CO 0.00 0.16 0.00 0.61 -1.51 0.00 0.00 177.39 176.65 2dkr n GLY 19 N 1.38 1.11 3.20 -0.72 0.00 -1.26 -0.18 105.19 108.71 2dkr n GLY 19 Ca -0.34 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.59 2dkr n GLY 19 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2dkr s PHE 20 N -2.00 0.12 0.04 1.61 -0.12 -1.26 -1.21 117.98 115.17 2dkr s PHE 20 Ca 0.00 -0.49 0.03 0.00 -0.05 0.00 0.00 56.93 56.41 2dkr s PHE 20 Cb 0.00 -0.05 -0.02 0.00 -0.63 0.00 0.00 43.02 42.32 2dkr s PHE 20 CO 0.00 -0.51 -0.09 -0.80 -0.05 0.00 0.00 175.22 173.77 2dkr s ASN 21 N -2.64 0.99 -0.03 1.98 0.01 0.25 -4.98 114.94 110.53 2dkr s ASN 21 Ca 0.02 -0.53 0.04 0.00 -0.71 0.00 0.00 52.86 51.68 2dkr s ASN 21 Cb 0.03 0.01 -0.00 0.00 0.41 0.00 0.00 41.25 41.70 2dkr s ASN 21 CO -0.09 -0.16 -0.14 0.27 -1.51 0.00 0.00 177.10 175.47 2dkr s ILE 22 N -1.29 1.16 0.49 0.60 -4.36 -1.26 -0.02 121.20 116.52 2dkr s ILE 22 Ca -0.08 -0.59 0.05 0.00 -0.26 0.00 0.00 60.65 59.77 2dkr s ILE 22 Cb -0.10 -0.99 -0.01 0.00 1.25 0.00 0.00 42.46 42.61 2dkr s ILE 22 CO 0.01 0.34 0.19 0.00 0.24 0.00 0.00 174.94 175.71 2dkr s MET 23 N -0.06 2.21 0.58 0.37 0.23 -1.19 -4.80 119.30 116.65 2dkr s MET 23 Ca -0.00 -2.10 0.00 0.00 -1.03 0.00 0.00 55.69 52.56 2dkr s MET 23 Cb -0.09 -1.86 0.00 0.00 -1.53 0.00 0.00 34.83 31.36 2dkr s MET 23 CO 0.01 -0.36 0.00 0.41 -2.03 0.00 0.00 175.02 173.04 2dkr n GLY 24 N -1.41 -4.28 0.00 3.16 0.00 -1.26 -4.30 105.19 97.09 2dkr n GLY 24 Ca -0.07 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.11 3.03 0.12 -0.02 0.00 -1.26 -4.82 105.19 100.13 2dkr n GLY 25 Ca 0.00 -0.02 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 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 0.61 -0.24 1.61 4.81 -1.26 -4.28 118.16 119.41 2dkr n LYS 26 Ca 0.00 0.41 0.15 0.00 -0.87 0.00 0.00 58.31 58.00 2dkr n LYS 26 Cb 0.00 -1.66 0.29 0.00 0.02 0.00 0.00 35.03 33.68 2dkr n LYS 26 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 2dkr n GLU 27 N -4.14 -0.05 -4.34 1.64 4.07 -1.26 -3.80 120.64 112.76 2dkr n GLU 27 Ca -0.39 1.06 -0.30 0.00 -0.06 0.00 0.00 57.16 57.46 2dkr n GLU 27 Cb 0.82 -1.75 -0.17 0.00 -0.06 0.00 0.00 31.44 30.28 2dkr n GLU 27 CO 0.00 0.00 0.00 -0.65 -0.06 0.00 0.00 177.13 176.42 2dkr s GLN 28 N -5.44 2.46 -0.52 5.31 -0.21 -1.26 -5.07 119.66 114.93 2dkr s GLN 28 Ca -0.08 -0.64 -0.28 0.00 0.02 0.00 0.00 55.36 54.38 2dkr s GLN 28 Cb 0.23 -2.11 -0.09 0.00 1.00 0.00 0.00 33.01 32.03 2dkr s GLN 28 CO 0.57 -0.12 2.42 0.09 -2.12 0.00 0.00 175.29 176.13 2dkr n ASN 29 N 4.39 2.10 -3.52 5.90 3.02 -1.25 -4.32 115.26 121.58 2dkr n ASN 29 Ca -0.19 -0.24 -0.14 0.00 -0.03 0.00 0.00 54.58 53.98 2dkr n ASN 29 Cb 0.51 -1.45 -0.05 0.00 -0.61 0.00 0.00 39.78 38.18 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 10.86 -0.53 0.37 6.41 0.01 -1.26 -5.10 113.70 124.46 2dkr s SER 30 Ca 1.05 0.46 -0.27 0.00 1.31 0.00 0.00 55.95 58.51 2dkr s SER 30 Cb -0.42 0.46 -0.09 0.00 0.21 0.00 0.00 66.02 66.18 2dkr s SER 30 CO 0.33 -0.58 1.20 -2.16 0.41 0.00 0.00 173.24 172.44 2dkr s PRO 31 N -1.68 4.19 -0.50 12.44 0.04 -1.26 -4.65 135.00 143.58 2dkr s PRO 31 Ca -0.05 1.94 -0.26 0.00 0.04 0.00 0.00 61.00 62.68 2dkr s PRO 31 Cb -0.00 -2.84 0.03 0.00 0.04 0.00 0.00 34.50 31.73 2dkr s PRO 31 CO 0.03 -0.23 0.98 0.42 0.04 0.00 0.00 177.00 178.24 2dkr s ILE 32 N -1.31 4.37 0.34 0.56 1.01 -1.26 -4.88 121.20 120.02 2dkr s ILE 32 Ca 0.54 0.69 0.03 0.00 0.00 0.00 0.00 60.65 61.90 2dkr s ILE 32 Cb -0.33 -4.52 -0.04 0.00 0.01 0.00 0.00 42.46 37.58 2dkr s ILE 32 CO 0.43 -0.99 0.11 -0.72 0.00 0.00 0.00 174.94 173.77 2dkr s TYR 33 N 4.02 1.76 -0.19 3.97 -0.85 -1.26 -0.14 117.35 124.65 2dkr s TYR 33 Ca 0.37 -1.20 -0.29 0.00 -0.52 0.00 0.00 57.07 55.43 2dkr s TYR 33 Cb -0.10 -1.09 -0.01 0.00 0.38 0.00 0.00 41.96 41.15 2dkr s TYR 33 CO 0.25 -0.27 1.21 0.42 -1.52 0.00 0.00 175.55 175.64 2dkr s ILE 34 N -3.41 4.37 -0.11 -3.49 -1.09 -0.99 -3.15 121.20 113.33 2dkr s ILE 34 Ca 0.32 1.65 -0.22 0.00 -2.23 0.00 0.00 60.65 60.17 2dkr s ILE 34 Cb 0.06 -4.10 -0.19 0.00 -1.58 0.00 0.00 42.46 36.66 2dkr s ILE 34 CO 0.15 -0.18 0.68 0.77 -1.23 0.00 0.00 174.94 175.14 2dkr h SER 35 N 8.11 -0.04 -4.97 3.58 4.64 -0.75 -2.82 113.55 121.31 2dkr h SER 35 Ca -0.24 -0.64 -0.18 0.00 -0.47 0.00 0.00 61.79 60.26 2dkr h SER 35 Cb 1.09 0.01 -0.21 0.00 -0.31 0.00 0.00 62.40 62.98 2dkr h SER 35 CO 0.98 0.74 -0.70 -0.60 -0.87 0.00 0.00 176.83 176.37 2dkr s ARG 36 N -2.50 0.33 -0.03 4.77 3.00 -1.20 -4.87 118.95 118.45 2dkr s ARG 36 Ca -0.14 -0.63 0.05 0.00 -1.00 0.00 0.00 55.73 54.01 2dkr s ARG 36 Cb -0.01 0.08 -0.01 0.00 0.00 0.00 0.00 34.95 35.00 2dkr s ARG 36 CO 0.51 -0.04 -0.19 0.08 0.00 0.00 0.00 175.30 175.66 2dkr s VAL 37 N -1.49 1.57 -0.08 7.11 1.01 -1.26 -0.59 120.40 126.67 2dkr s VAL 37 Ca -0.15 -0.82 -0.30 0.00 0.00 0.00 0.00 61.98 60.71 2dkr s VAL 37 Cb -0.10 -1.32 -0.04 0.00 0.00 0.00 0.00 36.38 34.93 2dkr s VAL 37 CO -0.01 0.44 1.39 -0.63 0.00 0.00 0.00 175.10 176.30 2dkr s ILE 38 N -0.26 3.93 -2.00 2.22 -1.09 -0.35 -4.88 121.20 118.78 2dkr s ILE 38 Ca 0.03 1.21 0.10 0.00 -2.23 0.00 0.00 60.65 59.75 2dkr s ILE 38 Cb -0.10 -3.78 0.28 0.00 -1.58 0.00 0.00 42.46 37.29 2dkr s ILE 38 CO 0.01 -0.06 1.03 -0.81 -1.23 0.00 0.00 174.94 173.88 2dkr n PRO 39 N 6.21 0.49 -1.83 2.79 -0.04 -1.26 -2.94 135.00 138.42 2dkr n PRO 39 Ca 0.14 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.58 2dkr n PRO 39 Cb 0.44 -1.32 0.02 0.00 -0.04 0.00 0.00 33.50 32.60 2dkr n PRO 39 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2dkr n GLY 40 N -0.02 1.22 3.74 0.55 0.00 -1.26 -4.99 105.19 104.44 2dkr n GLY 40 Ca 0.07 -0.37 -0.27 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 -1.65 2.50 0.17 -0.02 0.00 -1.15 -4.96 107.32 102.21 2dkr s GLY 41 Ca 0.13 -1.72 -0.18 0.00 0.00 0.00 0.00 44.72 42.95 2dkr s GLY 41 CO -0.08 -2.01 1.65 -2.08 0.00 0.00 0.00 173.10 170.58 2dkr h VAL 42 N 1.39 0.48 -0.71 1.40 2.07 -1.47 0.13 116.25 119.53 2dkr h VAL 42 Ca -0.42 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.23 2dkr h VAL 42 Cb 1.27 0.48 -0.13 0.00 -1.52 0.00 0.00 31.29 31.38 2dkr h VAL 42 CO 0.71 0.00 -0.24 0.00 0.02 0.00 0.00 177.57 178.07 2dkr h ALA 43 N 1.29 0.33 0.02 1.67 0.00 -0.81 0.23 119.26 121.99 2dkr h ALA 43 Ca 0.21 0.25 -0.00 0.00 0.00 0.00 0.00 54.91 55.37 2dkr h ALA 43 Cb 0.38 0.65 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2dkr h ALA 43 CO -0.47 -0.50 -0.01 0.22 0.00 0.00 0.00 179.25 178.49 2dkr h ASP 44 N -0.05 -0.02 -0.24 0.00 1.82 -1.49 -2.93 116.42 113.51 2dkr h ASP 44 Ca 0.32 -0.41 0.05 0.00 -0.39 0.00 0.00 57.03 56.60 2dkr h ASP 44 Cb 0.55 0.01 -0.07 0.00 0.68 0.00 0.00 39.33 40.49 2dkr h ASP 44 CO -0.75 0.41 -0.46 0.03 -1.61 0.00 0.00 179.24 176.86 2dkr h ARG 45 N -0.45 -0.44 -0.56 0.28 2.47 0.27 -1.53 114.38 114.43 2dkr h ARG 45 Ca -0.00 0.03 0.11 0.00 -1.26 0.00 0.00 59.98 58.86 2dkr h ARG 45 Cb 0.43 0.10 -0.10 0.00 -1.65 0.00 0.00 29.97 28.75 2dkr h ARG 45 CO 0.00 -0.29 -0.10 1.25 0.56 0.00 0.00 179.97 181.39 2dkr h HIS 46 N -0.46 -0.22 -1.73 3.04 2.76 -0.65 -3.47 115.15 114.42 2dkr h HIS 46 Ca 0.09 0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.30 2dkr h HIS 46 Cb 0.63 0.18 0.00 0.00 1.55 0.00 0.00 27.41 29.77 2dkr h HIS 46 CO -0.57 -0.21 0.00 0.41 -1.30 0.00 0.00 177.93 176.26 2dkr n GLY 47 N -1.38 0.70 0.23 5.26 0.00 -0.58 -5.03 105.19 104.40 2dkr n GLY 47 Ca 0.06 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.78 0.13 3.65 -0.02 0.00 -1.25 -5.10 105.19 101.82 2dkr n GLY 48 Ca 0.00 -0.10 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 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 -3.23 4.07 0.26 0.99 1.43 -1.26 -5.02 118.68 115.92 2dkr s LEU 49 Ca 0.00 0.10 0.02 0.00 -1.03 0.00 0.00 54.13 53.22 2dkr s LEU 49 Cb 0.00 -2.09 -0.04 0.00 0.03 0.00 0.00 46.19 44.09 2dkr s LEU 49 CO 0.00 0.07 0.14 -0.54 0.23 0.00 0.00 176.35 176.26 2dkr s LYS 50 N 1.00 1.43 -0.17 1.70 -0.14 -1.26 -4.51 119.74 117.78 2dkr s LYS 50 Ca 0.07 -1.79 -0.29 0.00 -1.36 0.00 0.00 55.97 52.61 2dkr s LYS 50 Cb -0.13 0.01 -0.04 0.00 -1.68 0.00 0.00 37.83 35.98 2dkr s LYS 50 CO 0.04 -0.40 1.81 0.50 -0.76 0.00 0.00 175.35 176.53 2dkr s ARG 51 N -3.96 3.73 0.00 1.68 3.52 -1.26 -2.63 118.95 120.03 2dkr s ARG 51 Ca 0.38 1.93 0.00 0.00 -0.13 0.00 0.00 55.73 57.91 2dkr s ARG 51 Cb 0.06 -4.13 0.00 0.00 -1.56 0.00 0.00 34.95 29.32 2dkr s ARG 51 CO 0.15 -1.39 0.00 0.41 -0.81 0.00 0.00 175.30 173.66 2dkr n GLY 52 N 4.86 2.44 3.67 8.12 0.00 -1.06 -4.98 105.19 118.23 2dkr n GLY 52 Ca 0.21 -0.58 -0.47 0.00 0.00 0.00 0.00 46.02 45.18 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 3.56 -4.71 1.61 8.00 -1.08 -4.54 116.55 119.39 2dkr n ASP 53 Ca 0.00 0.91 -0.42 0.00 0.71 0.00 0.00 54.79 56.00 2dkr n ASP 53 Cb 0.00 -1.41 -0.03 0.00 -0.02 0.00 0.00 41.12 39.66 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 4.33 4.53 -0.30 -1.24 0.74 -1.26 -2.35 119.66 124.10 2dkr s GLN 54 Ca 0.93 1.32 -0.29 0.00 0.05 0.00 0.00 55.36 57.37 2dkr s GLN 54 Cb -0.63 -3.46 -0.00 0.00 1.10 0.00 0.00 33.01 30.01 2dkr s GLN 54 CO 0.49 -0.05 1.34 -1.17 -0.55 0.00 0.00 175.29 175.35 2dkr s LEU 55 N 1.05 3.87 -0.16 3.68 2.96 0.80 -2.75 118.68 128.11 2dkr s LEU 55 Ca 0.49 1.23 -0.20 0.00 -0.22 0.00 0.00 54.13 55.44 2dkr s LEU 55 Cb -0.20 -3.54 -0.17 0.00 0.50 0.00 0.00 46.19 42.78 2dkr s LEU 55 CO 0.26 -1.12 0.30 -0.07 -1.32 0.00 0.00 176.35 174.40 2dkr h LEU 56 N 11.02 0.00 -7.13 -0.68 3.38 -1.80 -3.39 115.31 116.71 2dkr h LEU 56 Ca -0.27 -0.53 -0.07 0.00 0.09 0.00 0.00 57.88 57.10 2dkr h LEU 56 Cb 1.10 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.65 2dkr h LEU 56 CO 1.03 1.11 0.03 -0.44 0.09 0.00 0.00 178.44 180.26 2dkr s SER 57 N -6.34 -0.59 -0.01 -0.43 0.01 -1.26 -2.76 113.70 102.33 2dkr s SER 57 Ca -0.20 0.92 0.07 0.00 1.31 0.00 0.00 55.95 58.05 2dkr s SER 57 Cb 0.02 0.90 -0.02 0.00 0.21 0.00 0.00 66.02 67.13 2dkr s SER 57 CO 0.50 -0.37 -0.23 -0.69 0.41 0.00 0.00 173.24 172.86 2dkr s VAL 58 N -0.38 1.82 -1.53 3.43 1.01 -0.27 -1.76 120.40 122.72 2dkr s VAL 58 Ca -0.05 -1.01 -0.14 0.00 0.00 0.00 0.00 61.98 60.78 2dkr s VAL 58 Cb -0.03 -1.51 0.09 0.00 0.00 0.00 0.00 36.38 34.93 2dkr s VAL 58 CO 0.04 0.49 0.89 0.59 0.00 0.00 0.00 175.10 177.11 2dkr n ASN 59 N 2.44 -4.56 -1.85 3.32 5.03 -0.63 -0.30 115.26 118.70 2dkr n ASN 59 Ca -0.16 -0.75 -0.16 0.00 0.87 0.00 0.00 54.58 54.38 2dkr n ASN 59 Cb 0.52 -3.66 -0.01 0.00 -1.02 0.00 0.00 39.78 35.61 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 -1.58 -0.21 2.97 7.41 0.00 -1.26 -5.00 105.19 107.52 2dkr n GLY 60 Ca 0.04 -0.19 -0.25 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.81 1.04 -0.13 1.61 1.01 0.59 -5.10 120.40 116.61 2dkr s VAL 61 Ca 0.00 -0.38 -0.29 0.00 0.00 0.00 0.00 61.98 61.31 2dkr s VAL 61 Cb 0.00 -1.00 -0.05 0.00 0.00 0.00 0.00 36.38 35.33 2dkr s VAL 61 CO 0.00 0.35 1.79 -0.44 0.00 0.00 0.00 175.10 176.79 2dkr s SER 62 N 1.08 6.33 -0.07 3.32 0.01 -1.26 -1.12 113.70 121.98 2dkr s SER 62 Ca -0.07 2.03 0.15 0.00 1.31 0.00 0.00 55.95 59.37 2dkr s SER 62 Cb -0.14 -2.53 -0.22 0.00 0.21 0.00 0.00 66.02 63.33 2dkr s SER 62 CO -0.01 -1.24 0.24 1.33 0.41 0.00 0.00 173.24 173.97 2dkr n VAL 63 N 6.20 0.38 -1.53 3.43 0.24 -1.13 -4.79 118.33 121.13 2dkr n VAL 63 Ca 0.20 -0.47 -0.39 0.00 -2.04 0.00 0.00 64.34 61.65 2dkr n VAL 63 Cb 0.44 -0.14 -0.06 0.00 -1.47 0.00 0.00 33.84 32.61 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 -2.24 0.92 0.00 7.34 -0.58 -1.11 -0.94 120.64 124.02 2dkr n GLU 64 Ca -0.11 0.07 0.00 0.00 -0.42 0.00 0.00 57.16 56.70 2dkr n GLU 64 Cb 0.63 -2.94 0.00 0.00 -0.57 0.00 0.00 31.44 28.56 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 6.15 3.07 3.43 0.62 0.00 -1.26 -5.10 105.19 112.10 2dkr n GLY 65 Ca 0.43 -1.14 -0.30 0.00 0.00 0.00 0.00 46.02 45.01 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 0.00 -2.12 0.49 1.61 0.41 -0.12 -4.95 118.70 114.02 2dkr s GLU 66 Ca 0.00 0.11 -0.19 0.00 -0.41 0.00 0.00 54.97 54.48 2dkr s GLU 66 Cb 0.00 -1.47 -0.08 0.00 -1.78 0.00 0.00 34.13 30.79 2dkr s GLU 66 CO 0.00 -4.34 1.01 -1.14 -0.49 0.00 0.00 175.26 170.30 2dkr s GLN 67 N -5.16 3.87 0.17 1.61 0.74 -1.26 -4.64 119.66 114.99 2dkr s GLN 67 Ca 0.69 1.20 -0.23 0.00 0.05 0.00 0.00 55.36 57.08 2dkr s GLN 67 Cb -0.13 -2.11 0.06 0.00 1.10 0.00 0.00 33.01 31.93 2dkr s GLN 67 CO 0.58 -0.36 1.60 1.25 -0.55 0.00 0.00 175.29 177.81 2dkr h HIS 68 N 1.36 -0.89 -0.95 1.67 -0.00 -1.87 -0.14 115.15 114.34 2dkr h HIS 68 Ca -0.48 0.06 0.28 0.00 -0.00 0.00 0.00 60.37 60.23 2dkr h HIS 68 Cb 1.20 0.45 -0.17 0.00 -0.00 0.00 0.00 27.41 28.90 2dkr h HIS 68 CO 0.60 -0.38 0.21 1.49 -0.00 0.00 0.00 177.93 179.85 2dkr h GLU 69 N -0.25 0.09 -0.85 5.26 4.57 -1.97 0.47 114.58 121.90 2dkr h GLU 69 Ca 0.17 -0.01 0.22 0.00 -1.18 0.00 0.00 59.36 58.57 2dkr h GLU 69 Cb 0.54 -0.02 -0.14 0.00 -0.16 0.00 0.00 28.75 28.97 2dkr h GLU 69 CO -0.54 0.06 0.22 -0.22 -1.18 0.00 0.00 179.01 177.35 2dkr h LYS 70 N 0.09 0.21 -0.41 1.92 1.63 -1.39 0.31 116.57 118.95 2dkr h LYS 70 Ca 0.63 -0.01 -0.09 0.00 -0.85 0.00 0.00 60.65 60.32 2dkr h LYS 70 Cb 1.37 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.94 2dkr h LYS 70 CO -0.78 0.14 -0.10 0.00 -3.45 0.00 0.00 179.45 175.26 2dkr h ALA 71 N 1.75 0.56 0.59 5.00 0.00 -0.11 -2.49 119.26 124.57 2dkr h ALA 71 Ca 0.52 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 2dkr h ALA 71 Cb 1.03 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.68 2dkr h ALA 71 CO -0.63 0.43 -0.28 0.28 0.00 0.00 0.00 179.25 179.05 2dkr h VAL 72 N 0.60 0.38 -0.79 0.00 2.07 -0.38 -2.60 116.25 115.53 2dkr h VAL 72 Ca 0.10 -0.17 0.19 0.00 0.82 0.00 0.00 66.70 67.64 2dkr h VAL 72 Cb 0.62 0.44 -0.05 0.00 -1.52 0.00 0.00 31.29 30.79 2dkr h VAL 72 CO 0.04 0.02 0.54 1.05 0.02 0.00 0.00 177.57 179.24 2dkr h GLU 73 N -0.91 0.24 0.39 1.57 4.11 -0.59 -1.74 114.58 117.65 2dkr h GLU 73 Ca -0.08 -0.01 -0.02 0.00 0.07 0.00 0.00 59.36 59.32 2dkr h GLU 73 Cb 0.65 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.85 2dkr h GLU 73 CO 0.13 0.16 -0.19 -0.07 0.07 0.00 0.00 179.01 179.12 2dkr h LEU 74 N 0.25 -0.44 -0.62 3.06 3.38 -1.14 0.22 115.31 120.01 2dkr h LEU 74 Ca 0.39 -0.06 0.12 0.00 0.09 0.00 0.00 57.88 58.42 2dkr h LEU 74 Cb 1.15 0.11 -0.12 0.00 0.09 0.00 0.00 40.66 41.90 2dkr h LEU 74 CO -0.09 -0.21 -0.23 -0.07 0.09 0.00 0.00 178.44 177.92 2dkr h LEU 75 N -0.65 -0.82 -0.71 1.67 3.38 -0.95 0.14 115.31 117.37 2dkr h LEU 75 Ca -0.05 0.21 -0.12 0.00 0.09 0.00 0.00 57.88 58.00 2dkr h LEU 75 Cb 0.47 0.47 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 2dkr h LEU 75 CO 0.09 -0.25 -0.32 0.11 0.09 0.00 0.00 178.44 178.15 2dkr h LYS 76 N -0.07 0.63 -0.78 1.13 1.57 -1.46 -2.95 116.57 114.65 2dkr h LYS 76 Ca 0.28 -0.29 0.08 0.00 -1.87 0.00 0.00 60.65 58.85 2dkr h LYS 76 Cb 0.51 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.76 2dkr h LYS 76 CO -0.67 0.87 0.51 0.00 -0.57 0.00 0.00 179.45 179.59 2dkr h ALA 77 N 1.11 1.70 -2.23 3.86 0.00 0.20 -3.42 119.26 120.47 2dkr h ALA 77 Ca 0.06 -0.02 -0.44 0.00 0.00 0.00 0.00 54.91 54.51 2dkr h ALA 77 Cb 0.82 -0.19 0.16 0.00 0.00 0.00 0.00 17.79 18.57 2dkr h ALA 77 CO 0.07 0.17 0.25 0.00 0.00 0.00 0.00 179.25 179.74 2dkr s ALA 78 N -5.71 1.37 -0.02 0.00 0.00 -0.22 -5.07 121.76 112.11 2dkr s ALA 78 Ca -0.10 -0.78 -0.24 0.00 0.00 0.00 0.00 51.96 50.84 2dkr s ALA 78 Cb 0.20 -2.95 0.05 0.00 0.00 0.00 0.00 23.12 20.42 2dkr s ALA 78 CO 0.78 -2.82 0.54 1.14 0.00 0.00 0.00 175.76 175.40 2dkr s GLN 79 N -5.40 0.95 0.00 0.00 -2.07 -1.26 -4.99 119.66 106.89 2dkr s GLN 79 Ca 0.68 0.01 0.00 0.00 -1.82 0.00 0.00 55.36 54.23 2dkr s GLN 79 Cb -0.12 0.44 0.00 0.00 -1.09 0.00 0.00 33.01 32.24 2dkr s GLN 79 CO 0.55 -0.30 0.00 0.41 -1.32 0.00 0.00 175.29 174.63 2dkr n GLY 80 N 0.88 1.24 3.21 2.60 0.00 -1.25 -4.68 105.19 107.19 2dkr n GLY 80 Ca -0.20 -0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.35 0.03 1.61 1.04 -1.26 -0.83 113.70 113.94 2dkr s SER 81 Ca 0.00 0.67 0.07 0.00 0.48 0.00 0.00 55.95 57.17 2dkr s SER 81 Cb 0.00 0.67 -0.03 0.00 0.10 0.00 0.00 66.02 66.76 2dkr s SER 81 CO 0.00 -0.12 -0.20 0.68 0.98 0.00 0.00 173.24 174.58 2dkr s VAL 82 N 0.30 2.65 -0.37 5.02 -7.23 -0.83 -4.85 120.40 115.09 2dkr s VAL 82 Ca -0.01 -1.16 -0.11 0.00 -1.81 0.00 0.00 61.98 58.89 2dkr s VAL 82 Cb -0.03 -2.08 0.03 0.00 0.56 0.00 0.00 36.38 34.86 2dkr s VAL 82 CO -0.01 0.39 0.20 -0.54 -0.31 0.00 0.00 175.10 174.83 2dkr s LYS 83 N -1.25 2.83 -0.34 4.82 1.02 -1.26 -2.04 119.74 123.52 2dkr s LYS 83 Ca 0.13 -1.07 -0.10 0.00 0.02 0.00 0.00 55.97 54.95 2dkr s LYS 83 Cb -0.10 -3.71 0.01 0.00 -0.52 0.00 0.00 37.83 33.51 2dkr s LYS 83 CO 0.04 -0.69 0.18 -0.51 -0.92 0.00 0.00 175.35 173.45 2dkr s LEU 84 N 1.55 4.36 0.18 3.17 1.43 -0.97 -1.61 118.68 126.79 2dkr s LEU 84 Ca 0.02 -0.71 -0.12 0.00 -1.03 0.00 0.00 54.13 52.28 2dkr s LEU 84 Cb -0.19 -2.01 -0.07 0.00 0.03 0.00 0.00 46.19 43.95 2dkr s LEU 84 CO 0.06 -0.27 0.55 -0.69 0.23 0.00 0.00 176.35 176.23 2dkr s VAL 85 N 1.59 4.89 0.05 -1.59 1.01 -0.72 -0.67 120.40 124.96 2dkr s VAL 85 Ca 0.04 0.67 -0.02 0.00 0.00 0.00 0.00 61.98 62.67 2dkr s VAL 85 Cb -0.18 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.49 2dkr s VAL 85 CO 0.06 0.11 -0.01 0.68 0.00 0.00 0.00 175.10 175.95 2dkr s VAL 86 N -1.61 0.19 -0.32 2.92 -7.23 -1.22 -2.56 120.40 110.57 2dkr s VAL 86 Ca 0.42 -1.57 -0.08 0.00 -1.81 0.00 0.00 61.98 58.94 2dkr s VAL 86 Cb -0.13 -1.26 0.01 0.00 0.56 0.00 0.00 36.38 35.56 2dkr s VAL 86 CO 0.20 -0.87 0.12 -0.60 -0.31 0.00 0.00 175.10 173.64 2dkr s ARG 87 N -3.42 3.03 0.27 4.82 3.00 -1.11 -4.15 118.95 121.40 2dkr s ARG 87 Ca 0.02 -0.91 0.07 0.00 -1.00 0.00 0.00 55.73 53.91 2dkr s ARG 87 Cb 0.04 -3.48 -0.03 0.00 0.00 0.00 0.00 34.95 31.48 2dkr s ARG 87 CO -0.08 -0.51 0.24 -1.54 0.00 0.00 0.00 175.30 173.41 2dkr s SER 88 N 1.52 5.56 0.09 -2.12 1.04 -1.26 -4.42 113.70 114.10 2dkr s SER 88 Ca 0.02 -0.28 0.04 0.00 0.48 0.00 0.00 55.95 56.22 2dkr s SER 88 Cb -0.18 -1.34 -0.04 0.00 0.10 0.00 0.00 66.02 64.57 2dkr s SER 88 CO 0.04 -0.13 0.05 -0.83 0.98 0.00 0.00 173.24 173.35 2dkr s GLY 89 N -3.90 1.95 -0.26 7.32 0.00 -1.26 -5.07 107.32 106.10 2dkr s GLY 89 Ca 0.35 -1.08 -0.29 0.00 0.00 0.00 0.00 44.72 43.71 2dkr s GLY 89 CO 0.26 -1.06 1.64 2.56 0.00 0.00 0.00 173.10 176.50 2dkr s PRO 90 N -2.42 3.67 0.21 2.90 0.04 -1.26 -4.99 135.00 133.14 2dkr s PRO 90 Ca 0.28 1.55 0.04 0.00 0.04 0.00 0.00 61.00 62.90 2dkr s PRO 90 Cb -0.12 -4.07 -0.05 0.00 0.04 0.00 0.00 34.50 30.30 2dkr s PRO 90 CO 0.21 -1.45 -0.03 -1.12 0.04 0.00 0.00 177.00 174.64 2dkr s SER 91 N 4.66 1.83 -0.29 6.66 0.01 -1.26 -5.13 113.70 120.18 2dkr s SER 91 Ca 0.73 -1.17 -0.18 0.00 1.31 0.00 0.00 55.95 56.64 2dkr s SER 91 Cb -0.23 0.00 -0.02 0.00 0.21 0.00 0.00 66.02 65.98 2dkr s SER 91 CO 0.31 -0.46 0.53 -0.94 0.41 0.00 0.00 173.24 173.08 2dkr s SER 92 N -3.27 6.41 0.00 2.44 1.04 -1.26 -5.32 113.70 113.73 2dkr s SER 92 Ca 0.25 0.38 0.00 0.00 0.48 0.00 0.00 55.95 57.06 2dkr s SER 92 Cb 0.05 -2.28 0.00 0.00 0.10 0.00 0.00 66.02 63.89 2dkr s SER 92 CO 0.07 -0.35 0.00 0.61 0.98 0.00 0.00 173.24 174.54