#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfq s SER 2 N 0.00 0.67 -0.29 1.61 0.01 -1.26 -4.99 113.70 109.45 1wfq s SER 2 Ca 0.00 1.37 0.16 0.00 1.31 0.00 0.00 55.95 58.79 1wfq s SER 2 Cb 0.00 -2.11 0.48 0.00 0.21 0.00 0.00 66.02 64.60 1wfq s SER 2 CO 0.00 -4.37 1.12 -1.20 0.41 0.00 0.00 173.24 169.20 1wfq n SER 3 N -5.02 2.96 -3.51 2.44 7.64 -1.26 -4.96 113.62 111.91 1wfq n SER 3 Ca 0.04 -2.82 -0.23 0.00 1.01 0.00 0.00 58.87 56.87 1wfq n SER 3 Cb 0.55 -0.44 0.08 0.00 -1.01 0.00 0.00 64.21 63.40 1wfq n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wfq n GLY 4 N -0.57 -0.50 3.57 0.23 0.00 -1.26 -4.82 105.19 101.84 1wfq n GLY 4 Ca 0.22 0.22 -0.19 0.00 0.00 0.00 0.00 46.02 46.27 1wfq n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wfq s SER 5 N -3.42 4.09 0.08 1.61 0.15 -1.26 -4.40 113.70 110.56 1wfq s SER 5 Ca 0.52 -1.01 -0.00 0.00 0.70 0.00 0.00 55.95 56.16 1wfq s SER 5 Cb -0.23 -2.59 -0.00 0.00 -1.71 0.00 0.00 66.02 61.50 1wfq s SER 5 CO 0.71 -3.99 -0.00 -1.20 1.20 0.00 0.00 173.24 169.96 1wfq n SER 6 N 17.56 0.94 0.00 5.45 7.64 -1.26 -5.10 113.62 138.85 1wfq n SER 6 Ca 0.43 0.12 0.00 0.00 1.01 0.00 0.00 58.87 60.43 1wfq n SER 6 Cb 0.46 -0.29 0.00 0.00 -1.01 0.00 0.00 64.21 63.38 1wfq n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wfq n GLY 7 N 3.48 1.84 3.77 0.23 0.00 -1.26 -4.68 105.19 108.56 1wfq n GLY 7 Ca -0.00 -0.45 -0.31 0.00 0.00 0.00 0.00 46.02 45.26 1wfq n GLY 7 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wfq s GLY 8 N -0.99 1.76 -0.01 -0.02 0.00 -1.26 -5.03 107.32 101.77 1wfq s GLY 8 Ca 0.00 0.33 -0.25 0.00 0.00 0.00 0.00 44.72 44.80 1wfq s GLY 8 CO 0.00 0.68 0.56 -2.52 0.00 0.00 0.00 173.10 171.82 1wfq s TYR 9 N -2.80 -0.49 0.11 1.90 -0.85 -1.26 -4.10 117.35 109.87 1wfq s TYR 9 Ca 0.62 0.75 -0.14 0.00 -0.52 0.00 0.00 57.07 57.79 1wfq s TYR 9 Cb -0.18 0.33 -0.07 0.00 0.38 0.00 0.00 41.96 42.42 1wfq s TYR 9 CO 0.54 -0.58 1.44 -1.00 -1.52 0.00 0.00 175.55 174.42 1wfq h PRO 10 N 3.08 0.78 -2.65 -3.49 0.13 -1.99 -3.42 132.00 124.45 1wfq h PRO 10 Ca -0.29 -0.41 -0.60 0.00 -0.87 0.00 0.00 66.00 63.83 1wfq h PRO 10 Cb 1.17 0.01 -0.40 0.00 0.13 0.00 0.00 31.00 31.91 1wfq h PRO 10 CO 0.40 1.04 -0.77 -1.71 -0.23 0.00 0.00 178.00 176.73 1wfq n ASN 11 N -4.20 1.54 0.00 1.44 4.05 -1.26 -5.09 115.26 111.74 1wfq n ASN 11 Ca -0.03 -2.88 0.00 0.00 0.45 0.00 0.00 54.58 52.12 1wfq n ASN 11 Cb 0.49 -0.66 0.00 0.00 1.23 0.00 0.00 39.78 40.84 1wfq n ASN 11 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1wfq n GLY 12 N 2.15 0.63 3.85 8.20 0.00 -1.26 -4.77 105.19 113.98 1wfq n GLY 12 Ca 0.25 -0.80 -0.32 0.00 0.00 0.00 0.00 46.02 45.15 1wfq n GLY 12 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1wfq s THR 13 N 0.00 4.56 -0.20 2.61 -4.23 -1.26 -4.03 115.64 113.10 1wfq s THR 13 Ca 0.00 1.14 0.01 0.00 -1.18 0.00 0.00 61.69 61.66 1wfq s THR 13 Cb 0.00 -3.71 0.04 0.00 1.34 0.00 0.00 72.50 70.16 1wfq s THR 13 CO 0.00 -0.64 -0.13 -0.55 -0.54 0.00 0.00 174.62 172.76 1wfq s SER 14 N -3.03 3.38 0.29 3.99 0.15 -1.26 -5.10 113.70 112.12 1wfq s SER 14 Ca 0.58 -0.85 0.11 0.00 0.70 0.00 0.00 55.95 56.49 1wfq s SER 14 Cb -0.10 -1.33 -0.05 0.00 -1.71 0.00 0.00 66.02 62.83 1wfq s SER 14 CO 0.30 -0.11 -0.15 0.00 1.20 0.00 0.00 173.24 174.49 1wfq s ALA 15 N 1.34 2.85 0.45 5.45 0.00 -1.26 -5.16 121.76 125.44 1wfq s ALA 15 Ca -0.00 -1.87 0.05 0.00 0.00 0.00 0.00 51.96 50.15 1wfq s ALA 15 Cb -0.16 -0.33 -0.04 0.00 0.00 0.00 0.00 23.12 22.60 1wfq s ALA 15 CO -0.09 0.25 0.09 0.00 0.00 0.00 0.00 175.76 176.01 1wfq s ALA 16 N -2.49 3.67 -0.17 0.00 0.00 -1.26 -5.16 121.76 116.35 1wfq s ALA 16 Ca 0.31 -1.61 -0.22 0.00 0.00 0.00 0.00 51.96 50.44 1wfq s ALA 16 Cb -0.04 -0.10 0.06 0.00 0.00 0.00 0.00 23.12 23.04 1wfq s ALA 16 CO 0.16 -0.13 0.58 -0.48 0.00 0.00 0.00 175.76 175.89 1wfq s LEU 17 N -3.86 -0.22 0.02 0.00 -0.00 -1.26 -5.13 118.68 108.22 1wfq s LEU 17 Ca 0.28 0.98 -0.30 0.00 -0.00 0.00 0.00 54.13 55.09 1wfq s LEU 17 Cb 0.05 2.05 -0.07 0.00 -0.00 0.00 0.00 46.19 48.22 1wfq s LEU 17 CO 0.15 -0.31 1.73 -0.13 -0.00 0.00 0.00 176.35 177.79 1wfq s ARG 18 N -0.16 4.18 0.15 1.48 1.81 -1.26 -4.50 118.95 120.64 1wfq s ARG 18 Ca -0.04 2.35 0.04 0.00 -1.72 0.00 0.00 55.73 56.36 1wfq s ARG 18 Cb -0.03 -3.88 -0.04 0.00 -0.45 0.00 0.00 34.95 30.55 1wfq s ARG 18 CO 0.03 -0.83 0.22 -1.21 -0.68 0.00 0.00 175.30 172.82 1wfq s GLU 19 N 3.62 3.20 0.04 3.54 0.41 0.22 -4.87 118.70 124.85 1wfq s GLU 19 Ca 0.77 -0.71 0.07 0.00 -0.41 0.00 0.00 54.97 54.70 1wfq s GLU 19 Cb -0.38 -2.83 -0.02 0.00 -1.78 0.00 0.00 34.13 29.12 1wfq s GLU 19 CO 0.34 0.51 -0.22 0.95 -0.49 0.00 0.00 175.26 176.35 1wfq s THR 20 N -1.73 1.74 0.00 3.63 -4.23 -1.26 -0.80 115.64 112.98 1wfq s THR 20 Ca 0.33 -1.19 0.00 0.00 -1.18 0.00 0.00 61.69 59.65 1wfq s THR 20 Cb -0.11 -1.50 0.00 0.00 1.34 0.00 0.00 72.50 72.23 1wfq s THR 20 CO 0.26 0.26 0.00 0.61 -0.54 0.00 0.00 174.62 175.21 1wfq n GLY 21 N 1.92 3.60 3.64 3.99 0.00 -1.19 -3.34 105.19 113.82 1wfq n GLY 21 Ca -0.17 -0.24 -0.07 0.00 0.00 0.00 0.00 46.02 45.54 1wfq n GLY 21 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wfq s VAL 22 N 2.56 0.00 -0.64 1.61 0.11 -0.77 -4.32 120.40 118.95 1wfq s VAL 22 Ca 0.00 0.00 -0.26 0.00 -2.93 0.00 0.00 61.98 58.79 1wfq s VAL 22 Cb 0.00 -1.00 -0.08 0.00 -1.53 0.00 0.00 36.38 33.77 1wfq s VAL 22 CO 0.00 0.00 2.30 -0.63 -3.33 0.00 0.00 175.10 173.44 1wfq s ILE 23 N 1.13 3.09 0.05 7.04 -1.09 -1.05 0.12 121.20 130.48 1wfq s ILE 23 Ca -0.06 -0.01 -0.18 0.00 -2.23 0.00 0.00 60.65 58.17 1wfq s ILE 23 Cb -0.05 -3.21 -0.17 0.00 -1.58 0.00 0.00 42.46 37.45 1wfq s ILE 23 CO -0.13 -0.21 1.25 -0.08 -1.23 0.00 0.00 174.94 174.55 1wfq h GLU 24 N 16.00 0.52 -3.82 2.79 4.57 -1.68 0.86 114.58 133.82 1wfq h GLU 24 Ca -0.13 -0.40 -0.16 0.00 -1.18 0.00 0.00 59.36 57.49 1wfq h GLU 24 Cb 1.14 0.07 -0.21 0.00 -0.16 0.00 0.00 28.75 29.60 1wfq h GLU 24 CO 1.12 1.02 -0.62 0.21 -1.18 0.00 0.00 179.01 179.56 1wfq s LYS 25 N -3.79 0.39 -0.06 1.92 2.36 -0.96 -4.83 119.74 114.78 1wfq s LYS 25 Ca -0.13 -0.56 -0.05 0.00 -2.55 0.00 0.00 55.97 52.68 1wfq s LYS 25 Cb 0.06 0.15 0.02 0.00 -1.05 0.00 0.00 37.83 37.00 1wfq s LYS 25 CO 0.82 -0.08 0.16 -1.17 1.55 0.00 0.00 175.35 176.63 1wfq s LEU 26 N -1.49 1.31 0.00 5.43 2.96 -1.26 0.69 118.68 126.30 1wfq s LEU 26 Ca -0.15 0.32 0.02 0.00 -0.22 0.00 0.00 54.13 54.10 1wfq s LEU 26 Cb -0.08 0.53 -0.01 0.00 0.50 0.00 0.00 46.19 47.13 1wfq s LEU 26 CO -0.00 -0.07 0.06 0.18 -1.32 0.00 0.00 176.35 175.20 1wfq n LEU 27 N 3.15 0.00 0.17 -0.68 4.32 0.31 -4.94 117.00 119.33 1wfq n LEU 27 Ca -0.14 -1.57 0.05 0.00 -0.02 0.00 0.00 56.01 54.33 1wfq n LEU 27 Cb 0.58 0.47 0.12 0.00 -1.62 0.00 0.00 43.42 42.96 1wfq n LEU 27 CO 0.20 -0.24 0.58 0.74 -1.22 0.00 0.00 177.39 177.46 1wfq h THR 28 N 1.31 0.68 0.02 -5.08 2.02 -2.04 -3.34 112.91 106.48 1wfq h THR 28 Ca -0.17 -1.85 -0.39 0.00 0.77 0.00 0.00 66.41 64.78 1wfq h THR 28 Cb 0.61 2.25 -0.06 0.00 -1.74 0.00 0.00 68.15 69.22 1wfq h THR 28 CO 0.27 0.37 -2.35 -1.20 0.37 0.00 0.00 175.52 172.98 1wfq n SER 29 N -3.23 2.00 -2.11 4.18 7.64 -1.26 -5.01 113.62 115.83 1wfq n SER 29 Ca 0.02 0.02 -0.04 0.00 1.01 0.00 0.00 58.87 59.88 1wfq n SER 29 Cb 0.65 -0.58 0.02 0.00 -1.01 0.00 0.00 64.21 63.29 1wfq n SER 29 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wfq n TYR 30 N -3.50 -1.59 -3.86 1.43 0.18 -1.25 -3.11 117.16 105.46 1wfq n TYR 30 Ca -0.44 -0.98 -0.10 0.00 1.88 0.00 0.00 57.90 58.26 1wfq n TYR 30 Cb 0.97 0.49 -0.06 0.00 -0.38 0.00 0.00 39.34 40.37 1wfq n TYR 30 CO 0.00 0.00 0.00 0.20 -2.08 0.00 0.00 176.86 174.98 1wfq s GLY 31 N -2.35 0.22 0.01 -7.48 0.00 -0.21 0.12 107.32 97.63 1wfq s GLY 31 Ca 0.10 -0.59 0.02 0.00 0.00 0.00 0.00 44.72 44.25 1wfq s GLY 31 CO 0.06 -0.59 -0.02 -1.36 0.00 0.00 0.00 173.10 171.19 1wfq s PHE 32 N -3.92 3.02 -0.19 1.90 0.40 0.22 0.13 117.98 119.53 1wfq s PHE 32 Ca 0.13 0.04 0.01 0.00 -0.60 0.00 0.00 56.93 56.51 1wfq s PHE 32 Cb 0.02 -1.64 0.03 0.00 0.51 0.00 0.00 43.02 41.93 1wfq s PHE 32 CO -0.02 0.44 -0.15 0.42 0.70 0.00 0.00 175.22 176.61 1wfq s ILE 33 N -1.07 1.90 -0.68 0.64 1.01 -0.31 -1.77 121.20 120.91 1wfq s ILE 33 Ca 0.19 -1.02 -0.27 0.00 0.00 0.00 0.00 60.65 59.55 1wfq s ILE 33 Cb -0.11 -1.83 0.03 0.00 0.01 0.00 0.00 42.46 40.56 1wfq s ILE 33 CO 0.10 0.34 1.21 -1.58 0.00 0.00 0.00 174.94 175.01 1wfq s GLN 34 N 1.32 3.28 0.11 2.79 2.00 0.12 0.17 119.66 129.44 1wfq s GLN 34 Ca 0.01 -0.15 -0.33 0.00 -2.00 0.00 0.00 55.36 52.89 1wfq s GLN 34 Cb -0.15 -4.13 -0.12 0.00 0.80 0.00 0.00 33.01 29.41 1wfq s GLN 34 CO -0.10 -1.95 1.74 0.00 -0.50 0.00 0.00 175.29 174.48 1wfq n SER 36 N 4.85 1.66 -0.07 0.00 7.64 -1.21 -1.55 113.62 124.93 1wfq n SER 36 Ca 0.18 -1.78 -0.13 0.00 1.01 0.00 0.00 58.87 58.15 1wfq n SER 36 Cb 0.32 -0.14 -0.06 0.00 -1.01 0.00 0.00 64.21 63.33 1wfq n SER 36 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1wfq n GLU 37 N 0.34 0.33 -0.00 1.43 1.02 -1.26 -4.67 120.64 117.82 1wfq n GLU 37 Ca 0.15 0.11 0.10 0.00 -0.02 0.00 0.00 57.16 57.50 1wfq n GLU 37 Cb 0.31 -1.15 -0.10 0.00 -0.02 0.00 0.00 31.44 30.48 1wfq n GLU 37 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 1wfq n ARG 38 N -3.29 0.09 -3.26 3.49 1.85 -1.26 -5.00 116.66 109.29 1wfq n ARG 38 Ca -0.27 -0.02 -0.15 0.00 -1.00 0.00 0.00 57.85 56.40 1wfq n ARG 38 Cb 0.73 -1.51 0.08 0.00 -1.05 0.00 0.00 32.46 30.71 1wfq n ARG 38 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 1wfq n GLN 39 N -1.61 -5.86 -4.19 2.89 6.02 -0.59 -5.03 117.38 109.01 1wfq n GLN 39 Ca 0.03 0.73 -0.16 0.00 -0.01 0.00 0.00 57.00 57.59 1wfq n GLN 39 Cb 0.36 -5.41 -0.14 0.00 1.02 0.00 0.00 30.24 26.07 1wfq n GLN 39 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1wfq s ALA 40 N -3.31 0.52 -0.64 -1.58 0.00 -1.20 -4.94 121.76 110.61 1wfq s ALA 40 Ca 0.06 -0.32 -0.26 0.00 0.00 0.00 0.00 51.96 51.44 1wfq s ALA 40 Cb -0.03 -0.11 0.04 0.00 0.00 0.00 0.00 23.12 23.03 1wfq s ALA 40 CO 0.63 0.11 1.11 -0.98 0.00 0.00 0.00 175.76 176.62 1wfq s ARG 41 N -0.32 3.28 0.79 0.00 1.70 -1.26 -0.33 118.95 122.81 1wfq s ARG 41 Ca 0.01 -0.27 -0.10 0.00 -0.47 0.00 0.00 55.73 54.90 1wfq s ARG 41 Cb -0.03 -4.12 0.10 0.00 -0.57 0.00 0.00 34.95 30.33 1wfq s ARG 41 CO -0.00 -1.81 1.13 -0.51 -1.08 0.00 0.00 175.30 173.03 1wfq s LEU 42 N 4.75 2.72 -0.27 -1.89 1.43 0.13 -4.85 118.68 120.69 1wfq s LEU 42 Ca 0.33 0.43 0.00 0.00 -1.03 0.00 0.00 54.13 53.86 1wfq s LEU 42 Cb -0.11 -2.87 0.08 0.00 0.03 0.00 0.00 46.19 43.32 1wfq s LEU 42 CO 0.17 -1.97 0.01 0.12 0.23 0.00 0.00 176.35 174.92 1wfq s PHE 43 N -3.48 2.29 -0.10 0.29 5.36 -1.26 -1.16 117.98 119.91 1wfq s PHE 43 Ca 0.64 -1.86 -0.05 0.00 -0.96 0.00 0.00 56.93 54.70 1wfq s PHE 43 Cb -0.09 -1.78 -0.04 0.00 -0.34 0.00 0.00 43.02 40.78 1wfq s PHE 43 CO 0.48 -0.81 0.10 -0.59 -1.46 0.00 0.00 175.22 172.94 1wfq s PHE 44 N 1.42 3.47 0.02 10.12 -0.71 0.12 -3.23 117.98 129.19 1wfq s PHE 44 Ca 0.02 0.42 -0.13 0.00 -1.04 0.00 0.00 56.93 56.20 1wfq s PHE 44 Cb -0.18 -1.89 -0.06 0.00 -1.21 0.00 0.00 43.02 39.68 1wfq s PHE 44 CO -0.12 0.66 0.41 -1.58 -1.34 0.00 0.00 175.22 173.24 1wfq s HIS 45 N -1.01 3.68 0.08 3.49 2.46 -1.26 -1.04 115.29 121.69 1wfq s HIS 45 Ca 0.15 0.93 0.17 0.00 0.47 0.00 0.00 55.06 56.78 1wfq s HIS 45 Cb -0.12 -2.25 0.91 0.00 -0.13 0.00 0.00 32.58 30.99 1wfq s HIS 45 CO 0.04 0.61 1.44 0.00 -2.47 0.00 0.00 174.74 174.36 1wfq h SER 47 N 0.00 0.21 0.06 0.00 0.87 -1.92 -3.33 113.55 109.45 1wfq h SER 47 Ca 0.00 -0.23 -0.00 0.00 -1.23 0.00 0.00 61.79 60.33 1wfq h SER 47 Cb 0.52 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.41 1wfq h SER 47 CO 0.00 1.18 -0.03 1.56 -0.53 0.00 0.00 176.83 179.01 1wfq h GLN 48 N 0.04 -0.08 -6.40 2.24 1.08 -0.55 -3.43 115.11 108.00 1wfq h GLN 48 Ca -0.08 0.01 -0.63 0.00 -1.45 0.00 0.00 58.65 56.50 1wfq h GLN 48 Cb 1.87 0.02 0.07 0.00 -0.05 0.00 0.00 27.48 29.39 1wfq h GLN 48 CO 0.17 0.05 0.48 0.98 -0.95 0.00 0.00 178.83 179.56 1wfq n TYR 49 N -5.07 1.71 0.06 2.96 9.36 -1.22 -2.79 117.16 122.16 1wfq n TYR 49 Ca -0.08 0.54 -0.21 0.00 3.32 0.00 0.00 57.90 61.47 1wfq n TYR 49 Cb 0.10 -2.38 -0.15 0.00 -0.63 0.00 0.00 39.34 36.29 1wfq n TYR 49 CO 0.00 0.00 0.00 -0.91 0.22 0.00 0.00 176.86 176.17 1wfq h ASN 50 N 4.29 0.53 0.00 2.98 2.35 -1.80 -3.47 115.58 120.47 1wfq h ASN 50 Ca -0.45 -0.85 0.00 0.00 -0.55 0.00 0.00 56.30 54.45 1wfq h ASN 50 Cb 1.31 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 39.51 1wfq h ASN 50 CO 0.76 1.73 0.00 0.61 -1.65 0.00 0.00 177.43 178.88 1wfq n GLY 51 N 1.85 -1.91 3.03 2.83 0.00 -1.26 -5.00 105.19 104.73 1wfq n GLY 51 Ca -0.25 -1.04 -0.31 0.00 0.00 0.00 0.00 46.02 44.42 1wfq n GLY 51 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1wfq s ASN 52 N -1.63 3.94 0.25 1.61 3.84 -1.26 -5.00 114.94 116.70 1wfq s ASN 52 Ca 0.00 -1.15 0.08 0.00 0.21 0.00 0.00 52.86 52.00 1wfq s ASN 52 Cb 0.00 -1.40 0.77 0.00 -0.55 0.00 0.00 41.25 40.07 1wfq s ASN 52 CO 0.00 -0.17 1.16 0.18 -2.79 0.00 0.00 177.10 175.48 1wfq n LEU 53 N 4.55 0.08 -0.25 3.21 7.99 -1.26 0.14 117.00 131.46 1wfq n LEU 53 Ca -0.15 1.24 0.03 0.00 -0.01 0.00 0.00 56.01 57.12 1wfq n LEU 53 Cb 0.44 -0.52 0.11 0.00 -0.11 0.00 0.00 43.42 43.34 1wfq n LEU 53 CO 0.21 -1.32 0.76 1.56 -1.51 0.00 0.00 177.39 177.09 1wfq h GLN 54 N 0.00 0.04 -0.51 3.23 4.20 -2.01 0.31 115.11 120.36 1wfq h GLN 54 Ca 0.53 -0.00 -0.07 0.00 0.06 0.00 0.00 58.65 59.17 1wfq h GLN 54 Cb 1.28 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 29.03 1wfq h GLN 54 CO -0.63 0.02 0.02 -0.44 -0.67 0.00 0.00 178.83 177.14 1wfq h ASP 55 N 0.04 0.81 -4.28 1.46 3.32 0.72 -3.43 116.42 115.06 1wfq h ASP 55 Ca 0.38 -0.19 -0.51 0.00 0.02 0.00 0.00 57.03 56.72 1wfq h ASP 55 Cb 0.62 -0.21 0.12 0.00 0.22 0.00 0.00 39.33 40.07 1wfq h ASP 55 CO -0.72 0.86 0.34 -0.22 -1.72 0.00 0.00 179.24 177.78 1wfq s LEU 56 N -9.22 3.16 0.15 1.55 2.96 0.11 -5.06 118.68 112.33 1wfq s LEU 56 Ca -0.10 1.88 -0.25 0.00 -0.22 0.00 0.00 54.13 55.44 1wfq s LEU 56 Cb 0.15 -4.53 0.07 0.00 0.50 0.00 0.00 46.19 42.37 1wfq s LEU 56 CO 0.82 -1.88 0.99 -1.59 -1.32 0.00 0.00 176.35 173.37 1wfq s LYS 57 N -4.63 1.17 -0.06 1.98 -2.85 -1.26 -4.94 119.74 109.16 1wfq s LYS 57 Ca 0.63 -0.67 -0.30 0.00 -1.00 0.00 0.00 55.97 54.64 1wfq s LYS 57 Cb -0.18 0.39 -0.03 0.00 -2.06 0.00 0.00 37.83 35.95 1wfq s LYS 57 CO 0.51 -0.54 1.15 0.08 0.10 0.00 0.00 175.35 176.65 1wfq s VAL 58 N -3.09 4.37 0.00 1.79 1.01 -1.26 -3.42 120.40 119.80 1wfq s VAL 58 Ca 0.14 1.68 0.00 0.00 0.00 0.00 0.00 61.98 63.80 1wfq s VAL 58 Cb -0.01 -4.08 0.00 0.00 0.00 0.00 0.00 36.38 32.29 1wfq s VAL 58 CO 0.02 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.74 1wfq n GLY 59 N 3.29 1.10 3.40 4.51 0.00 0.30 -4.98 105.19 112.80 1wfq n GLY 59 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 1wfq n GLY 59 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wfq s ASP 60 N -2.00 3.56 0.18 1.61 1.11 -1.22 -4.89 116.67 115.02 1wfq s ASP 60 Ca 0.00 -0.40 -0.30 0.00 0.18 0.00 0.00 52.55 52.03 1wfq s ASP 60 Cb 0.00 -0.55 -0.08 0.00 1.07 0.00 0.00 42.92 43.36 1wfq s ASP 60 CO 0.00 0.30 1.07 -1.81 1.18 0.00 0.00 175.17 175.90 1wfq s ASP 61 N -1.00 7.33 0.10 0.27 1.11 -1.26 -2.54 116.67 120.68 1wfq s ASP 61 Ca 0.12 2.05 -0.09 0.00 0.18 0.00 0.00 52.55 54.81 1wfq s ASP 61 Cb -0.10 -2.60 0.00 0.00 1.07 0.00 0.00 42.92 41.28 1wfq s ASP 61 CO 0.02 -0.16 0.22 0.68 1.18 0.00 0.00 175.17 177.11 1wfq s VAL 62 N -0.36 0.12 -0.10 -1.27 -7.23 -1.26 -3.21 120.40 107.09 1wfq s VAL 62 Ca 0.48 -1.15 0.02 0.00 -1.81 0.00 0.00 61.98 59.52 1wfq s VAL 62 Cb -0.28 -1.40 -0.01 0.00 0.56 0.00 0.00 36.38 35.25 1wfq s VAL 62 CO 0.34 -0.57 -0.18 -0.70 -0.31 0.00 0.00 175.10 173.69 1wfq s GLU 63 N -3.87 3.10 0.30 4.82 2.12 0.98 -3.14 118.70 123.02 1wfq s GLU 63 Ca 0.07 -0.77 0.04 0.00 0.36 0.00 0.00 54.97 54.67 1wfq s GLU 63 Cb 0.04 -2.46 -0.03 0.00 0.26 0.00 0.00 34.13 31.95 1wfq s GLU 63 CO -0.10 0.27 0.27 -0.59 -0.54 0.00 0.00 175.26 174.57 1wfq s PHE 64 N 0.17 1.51 -0.16 5.30 -0.71 0.02 0.08 117.98 124.20 1wfq s PHE 64 Ca -0.10 -1.54 0.01 0.00 -1.04 0.00 0.00 56.93 54.26 1wfq s PHE 64 Cb -0.16 -0.60 0.02 0.00 -1.21 0.00 0.00 43.02 41.08 1wfq s PHE 64 CO 0.06 -0.84 -0.18 -2.00 -1.34 0.00 0.00 175.22 170.92 1wfq s GLU 65 N -3.59 2.70 -0.26 1.99 2.12 -0.79 0.69 118.70 121.56 1wfq s GLU 65 Ca 0.39 -0.72 -0.29 0.00 0.36 0.00 0.00 54.97 54.71 1wfq s GLU 65 Cb 0.03 -2.36 -0.01 0.00 0.26 0.00 0.00 34.13 32.05 1wfq s GLU 65 CO 0.23 -0.20 1.49 0.08 -0.54 0.00 0.00 175.26 176.32 1wfq s VAL 66 N 1.31 3.87 0.42 3.70 1.01 -1.26 -2.10 120.40 127.35 1wfq s VAL 66 Ca 0.03 0.98 0.03 0.00 0.00 0.00 0.00 61.98 63.03 1wfq s VAL 66 Cb -0.13 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.32 1wfq s VAL 66 CO -0.11 -0.38 0.07 -0.44 0.00 0.00 0.00 175.10 174.25 1wfq s SER 67 N 3.68 3.14 -0.16 3.32 0.01 -0.15 -4.93 113.70 118.61 1wfq s SER 67 Ca 0.65 -1.58 -0.04 0.00 1.31 0.00 0.00 55.95 56.29 1wfq s SER 67 Cb -0.21 0.30 -0.03 0.00 0.21 0.00 0.00 66.02 66.28 1wfq s SER 67 CO 0.27 -0.80 -0.01 -0.94 0.41 0.00 0.00 173.24 172.17 1wfq s SER 68 N -3.66 5.01 1.09 2.44 1.04 -1.26 -0.74 113.70 117.61 1wfq s SER 68 Ca 0.23 -0.07 -0.12 0.00 0.48 0.00 0.00 55.95 56.47 1wfq s SER 68 Cb 0.04 -1.82 0.24 0.00 0.10 0.00 0.00 66.02 64.59 1wfq s SER 68 CO 0.12 0.18 1.06 -0.62 0.98 0.00 0.00 173.24 174.96 1wfq s ASP 69 N 0.32 1.71 0.00 7.02 2.15 -0.93 -4.86 116.67 122.09 1wfq s ASP 69 Ca -0.02 1.45 0.20 0.00 0.43 0.00 0.00 52.55 54.60 1wfq s ASP 69 Cb -0.14 -2.17 0.21 0.00 -0.30 0.00 0.00 42.92 40.53 1wfq s ASP 69 CO 0.02 -3.73 1.18 0.54 -0.17 0.00 0.00 175.17 173.00 1wfq n ARG 70 N -4.60 1.90 -0.00 4.34 5.12 -1.26 -3.05 116.66 119.12 1wfq n ARG 70 Ca 0.04 -1.80 -0.00 0.00 -1.93 0.00 0.00 57.85 54.16 1wfq n ARG 70 Cb 0.55 -1.40 -0.00 0.00 -1.16 0.00 0.00 32.46 30.45 1wfq n ARG 70 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1wfq n ARG 71 N 1.15 0.01 0.00 5.56 5.12 -1.26 -4.80 116.66 122.43 1wfq n ARG 71 Ca 0.13 0.00 0.05 0.00 -1.93 0.00 0.00 57.85 56.10 1wfq n ARG 71 Cb 0.51 -0.71 -0.05 0.00 -1.16 0.00 0.00 32.46 31.05 1wfq n ARG 71 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 1wfq n THR 72 N -2.81 0.00 -1.25 0.55 -2.24 -1.26 -4.97 114.28 102.29 1wfq n THR 72 Ca -0.01 -0.27 -0.11 0.00 -2.27 0.00 0.00 64.05 61.40 1wfq n THR 72 Cb 0.50 1.03 -0.05 0.00 -2.10 0.00 0.00 70.33 69.71 1wfq n THR 72 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wfq n GLY 73 N 1.20 1.07 3.84 3.38 0.00 -1.17 -4.88 105.19 108.63 1wfq n GLY 73 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 1wfq n GLY 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wfq s LYS 74 N -2.81 4.02 -0.53 1.61 -0.14 -1.26 -4.29 119.74 116.34 1wfq s LYS 74 Ca 0.00 0.94 -0.27 0.00 -1.36 0.00 0.00 55.97 55.28 1wfq s LYS 74 Cb 0.00 -2.19 -0.02 0.00 -1.68 0.00 0.00 37.83 33.94 1wfq s LYS 74 CO 0.00 -0.15 1.81 -1.25 -0.76 0.00 0.00 175.35 175.00 1wfq s PRO 75 N -3.72 2.87 0.40 -1.68 0.04 -1.25 -2.18 135.00 129.47 1wfq s PRO 75 Ca 0.59 0.82 0.07 0.00 0.04 0.00 0.00 61.00 62.52 1wfq s PRO 75 Cb -0.10 -4.32 -0.05 0.00 0.04 0.00 0.00 34.50 30.07 1wfq s PRO 75 CO 0.25 -2.44 0.15 0.96 0.04 0.00 0.00 177.00 175.96 1wfq s ILE 76 N 8.28 2.34 0.05 0.56 -4.36 0.08 -4.64 121.20 123.50 1wfq s ILE 76 Ca 0.70 -1.74 -0.10 0.00 -0.26 0.00 0.00 60.65 59.24 1wfq s ILE 76 Cb -0.15 -2.98 -0.06 0.00 1.25 0.00 0.00 42.46 40.52 1wfq s ILE 76 CO 0.25 -0.02 0.37 0.00 0.24 0.00 0.00 174.94 175.78 1wfq s ALA 77 N -2.60 3.74 0.08 2.27 0.00 -1.20 -0.98 121.76 123.08 1wfq s ALA 77 Ca 0.40 -0.39 -0.07 0.00 0.00 0.00 0.00 51.96 51.91 1wfq s ALA 77 Cb 0.04 -2.25 -0.01 0.00 0.00 0.00 0.00 23.12 20.89 1wfq s ALA 77 CO 0.22 0.56 0.13 0.14 0.00 0.00 0.00 175.76 176.82 1wfq s VAL 78 N -1.31 0.16 -1.43 0.00 -7.23 -0.89 -4.42 120.40 105.28 1wfq s VAL 78 Ca 0.30 -1.35 -0.01 0.00 -1.81 0.00 0.00 61.98 59.11 1wfq s VAL 78 Cb -0.14 -1.40 0.00 0.00 0.56 0.00 0.00 36.38 35.40 1wfq s VAL 78 CO 0.16 -0.73 0.33 0.29 -0.31 0.00 0.00 175.10 174.85 1wfq n LYS 79 N -0.02 -2.65 -1.23 4.82 5.02 -1.25 -1.89 118.16 120.95 1wfq n LYS 79 Ca -0.15 0.33 -0.33 0.00 -2.02 0.00 0.00 58.31 56.14 1wfq n LYS 79 Cb 0.62 -4.27 0.11 0.00 -0.02 0.00 0.00 35.03 31.48 1wfq n LYS 79 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1wfq s LEU 80 N -7.06 3.18 -0.30 -0.35 2.96 -1.12 -4.57 118.68 111.42 1wfq s LEU 80 Ca 0.02 2.28 -0.11 0.00 -0.22 0.00 0.00 54.13 56.10 1wfq s LEU 80 Cb -0.01 -4.58 0.15 0.00 0.50 0.00 0.00 46.19 42.25 1wfq s LEU 80 CO 0.91 -2.46 0.80 0.54 -1.32 0.00 0.00 176.35 174.82 1wfq s VAL 81 N -2.21 -0.77 0.22 1.68 0.11 0.11 -2.74 120.40 116.81 1wfq s VAL 81 Ca 0.72 0.00 -0.32 0.00 -2.93 0.00 0.00 61.98 59.45 1wfq s VAL 81 Cb -0.27 -1.00 -0.13 0.00 -1.53 0.00 0.00 36.38 33.45 1wfq s VAL 81 CO 0.49 0.00 1.56 1.17 -3.33 0.00 0.00 175.10 174.99 1wfq n LYS 82 N 5.26 2.35 0.24 1.54 4.81 -1.26 -0.01 118.16 131.08 1wfq n LYS 82 Ca -0.10 0.84 -0.10 0.00 -0.87 0.00 0.00 58.31 58.09 1wfq n LYS 82 Cb 0.51 -2.59 -0.05 0.00 0.02 0.00 0.00 35.03 32.92 1wfq n LYS 82 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 1wfq h ILE 83 N 3.42 0.00 -2.25 3.15 2.04 -1.86 -3.45 117.51 118.57 1wfq h ILE 83 Ca -0.45 -0.25 -0.44 0.00 1.00 0.00 0.00 64.86 64.71 1wfq h ILE 83 Cb 1.24 0.00 0.03 0.00 -0.74 0.00 0.00 36.82 37.35 1wfq h ILE 83 CO 0.84 0.00 -0.16 -0.44 0.00 0.00 0.00 178.15 178.39 1wfq s SER 84 N -3.93 5.67 0.00 1.72 0.01 -1.26 -5.04 113.70 110.86 1wfq s SER 84 Ca -0.09 -0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.14 1wfq s SER 84 Cb 0.01 -1.12 0.00 0.00 0.21 0.00 0.00 66.02 65.12 1wfq s SER 84 CO 0.28 -0.79 0.00 0.61 0.41 0.00 0.00 173.24 173.76 1wfq n GLY 85 N -2.02 0.49 3.64 3.44 0.00 -1.26 -5.08 105.19 104.40 1wfq n GLY 85 Ca 0.04 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 1wfq n GLY 85 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wfq s PRO 86 N 0.00 3.94 -0.41 1.61 0.04 -1.26 -4.87 135.00 134.05 1wfq s PRO 86 Ca 0.00 1.78 -0.37 0.00 0.04 0.00 0.00 61.00 62.45 1wfq s PRO 86 Cb 0.00 -3.99 -0.16 0.00 0.04 0.00 0.00 34.50 30.39 1wfq s PRO 86 CO 0.00 -1.12 1.54 -1.13 0.04 0.00 0.00 177.00 176.33 1wfq n SER 87 N 7.92 0.78 -4.83 6.66 3.41 -1.26 -4.91 113.62 121.39 1wfq n SER 87 Ca 0.18 0.74 -0.22 0.00 -0.26 0.00 0.00 58.87 59.31 1wfq n SER 87 Cb 0.45 -0.72 0.09 0.00 -0.26 0.00 0.00 64.21 63.76 1wfq n SER 87 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1wfq s SER 88 N 3.75 4.70 0.00 4.04 1.04 -1.26 -5.36 113.70 120.61 1wfq s SER 88 Ca 0.92 -0.55 0.00 0.00 0.48 0.00 0.00 55.95 56.80 1wfq s SER 88 Cb -1.22 0.07 0.00 0.00 0.10 0.00 0.00 66.02 64.97 1wfq s SER 88 CO 0.60 -1.61 0.00 0.61 0.98 0.00 0.00 173.24 173.82