#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 6.43 -0.30 1.61 0.15 -1.26 -5.08 113.70 115.25 1wfq s SER 2 Ca 0.00 0.44 -0.12 0.00 0.70 0.00 0.00 55.95 56.97 1wfq s SER 2 Cb 0.00 -2.03 -0.04 0.00 -1.71 0.00 0.00 66.02 62.24 1wfq s SER 2 CO 0.00 0.17 0.21 -0.94 1.20 0.00 0.00 173.24 173.87 1wfq s SER 3 N -2.24 6.03 -0.35 5.45 1.04 -1.26 -5.06 113.70 117.31 1wfq s SER 3 Ca 0.34 -0.15 -0.15 0.00 0.48 0.00 0.00 55.95 56.47 1wfq s SER 3 Cb -0.13 -2.13 -0.01 0.00 0.10 0.00 0.00 66.02 63.86 1wfq s SER 3 CO 0.23 -0.11 0.34 -0.83 0.98 0.00 0.00 173.24 173.85 1wfq s GLY 4 N 1.75 1.92 -0.11 7.32 0.00 -1.26 -4.95 107.32 111.98 1wfq s GLY 4 Ca 0.07 -1.31 -0.01 0.00 0.00 0.00 0.00 44.72 43.46 1wfq s GLY 4 CO 0.11 0.96 2.21 1.44 0.00 0.00 0.00 173.10 177.82 1wfq n SER 5 N 5.33 5.72 -4.29 1.64 7.64 -1.26 -4.83 113.62 123.57 1wfq n SER 5 Ca -0.10 -2.65 -0.15 0.00 1.01 0.00 0.00 58.87 56.98 1wfq n SER 5 Cb 0.49 -1.14 -0.10 0.00 -1.01 0.00 0.00 64.21 62.44 1wfq n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wfq s SER 6 N 1.39 1.05 0.19 6.43 0.01 -1.26 -5.17 113.70 116.33 1wfq s SER 6 Ca 0.19 -1.35 0.09 0.00 1.31 0.00 0.00 55.95 56.18 1wfq s SER 6 Cb 0.12 0.19 -0.04 0.00 0.21 0.00 0.00 66.02 66.49 1wfq s SER 6 CO -0.01 -0.72 -0.18 -0.83 0.41 0.00 0.00 173.24 171.90 1wfq s GLY 7 N -3.27 1.48 0.00 3.44 0.00 -1.26 -5.13 107.32 102.58 1wfq s GLY 7 Ca 0.36 -1.58 0.00 0.00 0.00 0.00 0.00 44.72 43.50 1wfq s GLY 7 CO 0.12 -1.64 0.00 0.61 0.00 0.00 0.00 173.10 172.19 1wfq n GLY 8 N 0.05 2.70 3.21 0.20 0.00 -1.26 -5.19 105.19 104.90 1wfq n GLY 8 Ca -0.11 0.05 -0.09 0.00 0.00 0.00 0.00 46.02 45.87 1wfq n GLY 8 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wfq s TYR 9 N -0.31 0.12 0.92 1.61 1.51 -1.26 -4.39 117.35 115.56 1wfq s TYR 9 Ca 0.00 -0.54 -0.12 0.00 -1.01 0.00 0.00 57.07 55.41 1wfq s TYR 9 Cb 0.00 -0.04 0.14 0.00 -0.11 0.00 0.00 41.96 41.95 1wfq s TYR 9 CO 0.00 -0.55 1.09 -1.25 -1.11 0.00 0.00 175.55 173.74 1wfq s PRO 10 N -3.79 1.08 0.19 -1.71 0.04 -1.26 -5.06 135.00 124.50 1wfq s PRO 10 Ca 0.04 0.76 -0.29 0.00 0.04 0.00 0.00 61.00 61.55 1wfq s PRO 10 Cb 0.04 -1.79 -0.17 0.00 0.04 0.00 0.00 34.50 32.62 1wfq s PRO 10 CO -0.11 -2.34 0.66 0.09 0.04 0.00 0.00 177.00 175.33 1wfq n ASN 11 N -3.95 -0.71 -3.69 6.66 3.02 -1.26 -4.98 115.26 110.35 1wfq n ASN 11 Ca 0.07 1.14 -0.11 0.00 -0.03 0.00 0.00 54.58 55.64 1wfq n ASN 11 Cb 0.56 -1.00 -0.09 0.00 -0.61 0.00 0.00 39.78 38.63 1wfq n ASN 11 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1wfq s GLY 12 N -0.82 -0.40 0.30 7.41 0.00 -1.26 -5.14 107.32 107.42 1wfq s GLY 12 Ca 0.66 1.61 -0.30 0.00 0.00 0.00 0.00 44.72 46.69 1wfq s GLY 12 CO 0.56 1.56 1.54 -0.51 0.00 0.00 0.00 173.10 176.25 1wfq s THR 13 N 0.86 2.19 -0.49 0.90 -4.23 -1.26 -4.93 115.64 108.69 1wfq s THR 13 Ca -0.05 0.17 0.03 0.00 -1.18 0.00 0.00 61.69 60.66 1wfq s THR 13 Cb -0.05 -3.11 0.43 0.00 1.34 0.00 0.00 72.50 71.11 1wfq s THR 13 CO -0.07 0.03 1.45 -0.24 -0.54 0.00 0.00 174.62 175.25 1wfq n SER 14 N 1.81 5.78 -4.94 3.99 2.88 -1.26 -5.03 113.62 116.85 1wfq n SER 14 Ca 0.06 -3.76 -0.24 0.00 -1.33 0.00 0.00 58.87 53.60 1wfq n SER 14 Cb 0.38 -0.60 -0.02 0.00 -0.75 0.00 0.00 64.21 63.22 1wfq n SER 14 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wfq s ALA 15 N -3.70 3.79 0.43 -1.46 0.00 -1.26 -5.12 121.76 114.44 1wfq s ALA 15 Ca 0.53 -0.96 0.06 0.00 0.00 0.00 0.00 51.96 51.58 1wfq s ALA 15 Cb 0.43 -1.98 -0.06 0.00 0.00 0.00 0.00 23.12 21.50 1wfq s ALA 15 CO -0.11 0.18 0.01 0.00 0.00 0.00 0.00 175.76 175.84 1wfq s ALA 16 N -2.10 3.37 -0.22 0.00 0.00 -1.26 -5.10 121.76 116.45 1wfq s ALA 16 Ca 0.38 -1.86 -0.29 0.00 0.00 0.00 0.00 51.96 50.19 1wfq s ALA 16 Cb -0.10 0.15 -0.01 0.00 0.00 0.00 0.00 23.12 23.17 1wfq s ALA 16 CO 0.32 -0.10 1.28 -1.17 0.00 0.00 0.00 175.76 176.09 1wfq s LEU 17 N -3.74 4.06 0.04 0.00 1.98 -1.26 -4.98 118.68 114.77 1wfq s LEU 17 Ca 0.28 1.51 -0.30 0.00 -2.89 0.00 0.00 54.13 52.73 1wfq s LEU 17 Cb 0.08 -3.54 -0.06 0.00 0.66 0.00 0.00 46.19 43.34 1wfq s LEU 17 CO 0.14 -0.88 1.29 -0.13 -1.89 0.00 0.00 176.35 174.88 1wfq s ARG 18 N 3.76 4.35 0.16 1.98 1.81 -1.26 -4.51 118.95 125.24 1wfq s ARG 18 Ca 0.55 1.87 0.06 0.00 -1.72 0.00 0.00 55.73 56.49 1wfq s ARG 18 Cb -0.20 -3.42 -0.04 0.00 -0.45 0.00 0.00 34.95 30.84 1wfq s ARG 18 CO 0.18 -0.41 0.06 -1.21 -0.68 0.00 0.00 175.30 173.23 1wfq s GLU 19 N 1.63 2.64 0.13 3.54 2.02 0.19 -4.91 118.70 123.94 1wfq s GLU 19 Ca 0.61 -0.97 0.09 0.00 0.02 0.00 0.00 54.97 54.72 1wfq s GLU 19 Cb -0.31 -2.51 -0.04 0.00 0.10 0.00 0.00 34.13 31.38 1wfq s GLU 19 CO 0.27 0.48 -0.21 0.95 0.02 0.00 0.00 175.26 176.77 1wfq s THR 20 N -1.69 1.84 0.00 3.63 -4.23 -1.26 -0.64 115.64 113.29 1wfq s THR 20 Ca 0.29 -1.71 0.00 0.00 -1.18 0.00 0.00 61.69 59.08 1wfq s THR 20 Cb -0.10 -1.73 0.00 0.00 1.34 0.00 0.00 72.50 72.01 1wfq s THR 20 CO 0.21 -0.13 0.00 0.61 -0.54 0.00 0.00 174.62 174.77 1wfq n GLY 21 N 0.76 3.18 3.58 3.99 0.00 -1.20 -2.66 105.19 112.85 1wfq n GLY 21 Ca -0.17 -0.05 -0.10 0.00 0.00 0.00 0.00 46.02 45.70 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 1.92 -0.00 -0.79 1.61 0.11 -1.02 -4.32 120.40 117.91 1wfq s VAL 22 Ca 0.00 0.01 -0.25 0.00 -2.93 0.00 0.00 61.98 58.80 1wfq s VAL 22 Cb 0.00 -0.94 -0.09 0.00 -1.53 0.00 0.00 36.38 33.82 1wfq s VAL 22 CO 0.00 0.00 2.20 -0.63 -3.33 0.00 0.00 175.10 173.34 1wfq s ILE 23 N 1.18 3.19 0.20 7.04 -1.09 -1.16 0.44 121.20 130.99 1wfq s ILE 23 Ca -0.07 -0.12 -0.06 0.00 -2.23 0.00 0.00 60.65 58.17 1wfq s ILE 23 Cb -0.05 -3.45 0.05 0.00 -1.58 0.00 0.00 42.46 37.43 1wfq s ILE 23 CO -0.12 -0.42 1.63 -0.08 -1.23 0.00 0.00 174.94 174.72 1wfq h GLU 24 N 12.96 0.90 -3.52 2.79 4.57 -1.80 -0.62 114.58 129.87 1wfq h GLU 24 Ca -0.00 -0.33 -0.12 0.00 -1.18 0.00 0.00 59.36 57.73 1wfq h GLU 24 Cb 1.04 -0.06 -0.18 0.00 -0.16 0.00 0.00 28.75 29.39 1wfq h GLU 24 CO 1.11 0.98 -0.40 0.21 -1.18 0.00 0.00 179.01 179.73 1wfq s LYS 25 N -4.77 0.65 -0.11 1.92 2.36 -1.15 -4.85 119.74 113.79 1wfq s LYS 25 Ca -0.10 -0.56 -0.09 0.00 -2.55 0.00 0.00 55.97 52.66 1wfq s LYS 25 Cb 0.13 0.27 0.03 0.00 -1.05 0.00 0.00 37.83 37.22 1wfq s LYS 25 CO 0.85 -0.18 0.29 -1.17 1.55 0.00 0.00 175.35 176.68 1wfq s LEU 26 N -1.92 0.71 0.00 5.43 0.20 -1.26 0.28 118.68 122.11 1wfq s LEU 26 Ca -0.07 0.60 0.03 0.00 0.69 0.00 0.00 54.13 55.37 1wfq s LEU 26 Cb -0.02 0.96 -0.01 0.00 -0.43 0.00 0.00 46.19 46.69 1wfq s LEU 26 CO -0.02 -0.12 0.10 0.18 -0.29 0.00 0.00 176.35 176.19 1wfq n LEU 27 N 3.33 0.00 0.21 -0.68 4.32 0.32 -4.95 117.00 119.55 1wfq n LEU 27 Ca -0.16 -2.40 0.12 0.00 -0.02 0.00 0.00 56.01 53.55 1wfq n LEU 27 Cb 0.57 0.71 0.23 0.00 -1.62 0.00 0.00 43.42 43.31 1wfq n LEU 27 CO 0.15 -0.37 0.83 0.74 -1.22 0.00 0.00 177.39 177.53 1wfq h THR 28 N 1.47 0.00 0.00 -5.08 2.02 -2.02 -3.34 112.91 105.96 1wfq h THR 28 Ca -0.26 -0.90 -0.35 0.00 0.77 0.00 0.00 66.41 65.67 1wfq h THR 28 Cb 0.94 1.90 -0.06 0.00 -1.74 0.00 0.00 68.15 69.19 1wfq h THR 28 CO 0.41 0.00 -2.29 -0.24 0.37 0.00 0.00 175.52 173.77 1wfq n SER 29 N -2.99 2.15 -2.02 4.18 2.88 -1.26 -5.03 113.62 111.54 1wfq n SER 29 Ca 0.04 -0.05 -0.06 0.00 -1.33 0.00 0.00 58.87 57.48 1wfq n SER 29 Cb 0.50 -0.42 0.01 0.00 -0.75 0.00 0.00 64.21 63.56 1wfq n SER 29 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wfq n TYR 30 N -3.32 -1.65 -3.86 0.66 0.18 -1.25 -3.28 117.16 104.63 1wfq n TYR 30 Ca -0.41 -1.10 -0.09 0.00 1.88 0.00 0.00 57.90 58.18 1wfq n TYR 30 Cb 0.91 0.49 -0.04 0.00 -0.38 0.00 0.00 39.34 40.31 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 -2.18 0.17 0.21 -7.48 0.00 -0.26 0.12 107.32 97.90 1wfq s GLY 31 Ca 0.10 -0.52 0.09 0.00 0.00 0.00 0.00 44.72 44.39 1wfq s GLY 31 CO 0.08 -0.41 -0.05 -1.36 0.00 0.00 0.00 173.10 171.36 1wfq s PHE 32 N -3.94 2.69 -0.11 1.90 0.40 0.14 -0.25 117.98 118.82 1wfq s PHE 32 Ca 0.15 -0.20 -0.02 0.00 -0.60 0.00 0.00 56.93 56.25 1wfq s PHE 32 Cb -0.01 -1.27 0.04 0.00 0.51 0.00 0.00 43.02 42.29 1wfq s PHE 32 CO 0.03 0.55 0.03 0.42 0.70 0.00 0.00 175.22 176.95 1wfq s ILE 33 N -1.93 0.27 -0.86 0.64 1.01 -0.48 -2.39 121.20 117.46 1wfq s ILE 33 Ca 0.28 -0.03 -0.25 0.00 0.00 0.00 0.00 60.65 60.64 1wfq s ILE 33 Cb -0.08 -0.60 0.04 0.00 0.01 0.00 0.00 42.46 41.83 1wfq s ILE 33 CO 0.17 0.06 1.34 -1.58 0.00 0.00 0.00 174.94 174.93 1wfq s GLN 34 N 2.00 3.36 0.04 2.79 2.00 0.17 0.22 119.66 130.24 1wfq s GLN 34 Ca 0.03 -0.66 -0.39 0.00 -2.00 0.00 0.00 55.36 52.35 1wfq s GLN 34 Cb -0.14 -4.69 -0.19 0.00 0.80 0.00 0.00 33.01 28.79 1wfq s GLN 34 CO -0.06 -2.16 1.16 0.00 -0.50 0.00 0.00 175.29 173.73 1wfq n SER 36 N 1.87 3.08 -0.02 0.00 7.64 -1.09 -1.98 113.62 123.12 1wfq n SER 36 Ca 0.19 -2.02 -0.02 0.00 1.01 0.00 0.00 58.87 58.03 1wfq n SER 36 Cb 0.12 -0.39 -0.02 0.00 -1.01 0.00 0.00 64.21 62.92 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 1.15 1.44 0.00 1.43 1.02 -1.26 -4.73 120.64 119.69 1wfq n GLU 37 Ca 0.19 0.01 0.05 0.00 -0.02 0.00 0.00 57.16 57.39 1wfq n GLU 37 Cb 0.49 -1.08 -0.02 0.00 -0.02 0.00 0.00 31.44 30.81 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 -2.42 2.72 -3.60 3.49 1.85 -1.26 -5.00 116.66 112.44 1wfq n ARG 38 Ca -0.06 -0.39 -0.24 0.00 -1.00 0.00 0.00 57.85 56.16 1wfq n ARG 38 Cb 0.58 -1.04 0.08 0.00 -1.05 0.00 0.00 32.46 31.04 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 -0.61 -7.87 -5.08 2.89 1.13 -0.84 -5.00 117.38 102.00 1wfq n GLN 39 Ca 0.03 0.83 -0.29 0.00 -1.94 0.00 0.00 57.00 55.62 1wfq n GLN 39 Cb 0.19 -5.88 -0.15 0.00 0.11 0.00 0.00 30.24 24.51 1wfq n GLN 39 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1wfq s ALA 40 N -3.32 2.06 -0.66 -1.58 0.00 -1.23 -4.90 121.76 112.12 1wfq s ALA 40 Ca 0.56 -1.11 -0.26 0.00 0.00 0.00 0.00 51.96 51.15 1wfq s ALA 40 Cb -0.25 -0.49 0.04 0.00 0.00 0.00 0.00 23.12 22.43 1wfq s ALA 40 CO 0.73 0.50 1.13 1.03 0.00 0.00 0.00 175.76 179.15 1wfq s ARG 41 N -0.81 3.25 0.73 0.00 0.52 -1.26 0.29 118.95 121.66 1wfq s ARG 41 Ca 0.10 -0.31 -0.07 0.00 -0.52 0.00 0.00 55.73 54.93 1wfq s ARG 41 Cb -0.09 -4.14 0.08 0.00 0.52 0.00 0.00 34.95 31.31 1wfq s ARG 41 CO 0.00 -1.89 1.04 -0.51 0.02 0.00 0.00 175.30 173.97 1wfq s LEU 42 N 4.92 2.81 -0.24 2.53 1.43 0.13 -4.88 118.68 125.38 1wfq s LEU 42 Ca 0.32 0.40 0.00 0.00 -1.03 0.00 0.00 54.13 53.82 1wfq s LEU 42 Cb -0.11 -2.97 0.07 0.00 0.03 0.00 0.00 46.19 43.21 1wfq s LEU 42 CO 0.16 -1.72 -0.01 0.12 0.23 0.00 0.00 176.35 175.13 1wfq s PHE 43 N -3.30 2.11 -0.09 0.29 5.36 -1.26 -1.38 117.98 119.71 1wfq s PHE 43 Ca 0.62 -1.65 -0.04 0.00 -0.96 0.00 0.00 56.93 54.90 1wfq s PHE 43 Cb -0.10 -1.57 -0.04 0.00 -0.34 0.00 0.00 43.02 40.98 1wfq s PHE 43 CO 0.45 -0.77 0.07 -0.59 -1.46 0.00 0.00 175.22 172.93 1wfq s PHE 44 N 1.49 3.36 -0.02 10.12 -0.71 0.65 -3.19 117.98 129.68 1wfq s PHE 44 Ca -0.02 0.34 -0.10 0.00 -1.04 0.00 0.00 56.93 56.11 1wfq s PHE 44 Cb -0.18 -1.84 -0.05 0.00 -1.21 0.00 0.00 43.02 39.73 1wfq s PHE 44 CO -0.09 0.59 0.29 -1.58 -1.34 0.00 0.00 175.22 173.09 1wfq s HIS 45 N -1.00 3.63 0.67 3.49 2.46 -1.26 -1.11 115.29 122.17 1wfq s HIS 45 Ca 0.16 0.72 0.25 0.00 0.47 0.00 0.00 55.06 56.66 1wfq s HIS 45 Cb -0.12 -2.09 1.35 0.00 -0.13 0.00 0.00 32.58 31.59 1wfq s HIS 45 CO 0.05 0.65 1.76 0.00 -2.47 0.00 0.00 174.74 174.73 1wfq h SER 47 N 0.00 0.42 -0.02 0.00 0.87 -1.93 -3.28 113.55 109.62 1wfq h SER 47 Ca 0.00 -0.31 -0.00 0.00 -1.23 0.00 0.00 61.79 60.25 1wfq h SER 47 Cb 0.90 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 62.74 1wfq h SER 47 CO -0.00 1.08 0.01 1.56 -0.53 0.00 0.00 176.83 178.94 1wfq h GLN 48 N 0.21 0.02 -6.47 2.24 1.08 -0.33 -3.43 115.11 108.43 1wfq h GLN 48 Ca -0.05 -0.00 -0.61 0.00 -1.45 0.00 0.00 58.65 56.54 1wfq h GLN 48 Cb 1.42 -0.00 0.08 0.00 -0.05 0.00 0.00 27.48 28.93 1wfq h GLN 48 CO 0.14 0.11 0.47 0.98 -0.95 0.00 0.00 178.83 179.58 1wfq n TYR 49 N -5.03 1.78 0.06 2.96 9.36 -1.21 -2.50 117.16 122.59 1wfq n TYR 49 Ca -0.07 0.54 -0.20 0.00 3.32 0.00 0.00 57.90 61.48 1wfq n TYR 49 Cb 0.07 -2.38 -0.15 0.00 -0.63 0.00 0.00 39.34 36.26 1wfq n TYR 49 CO 0.00 0.00 0.00 -0.97 0.22 0.00 0.00 176.86 176.11 1wfq h ASN 50 N 3.90 0.51 0.00 2.98 -0.73 -1.79 -3.46 115.58 116.99 1wfq h ASN 50 Ca -0.44 -0.76 0.00 0.00 1.87 0.00 0.00 56.30 56.97 1wfq h ASN 50 Cb 1.30 -0.17 0.00 0.00 0.27 0.00 0.00 38.32 39.73 1wfq h ASN 50 CO 0.74 1.64 0.00 0.61 -0.37 0.00 0.00 177.43 180.05 1wfq n GLY 51 N 1.79 -0.19 3.25 1.57 0.00 -1.26 -5.03 105.19 105.32 1wfq n GLY 51 Ca -0.22 -1.33 -0.35 0.00 0.00 0.00 0.00 46.02 44.13 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 -1.27 4.13 0.40 1.61 2.47 -1.26 -4.99 114.94 116.04 1wfq s ASN 52 Ca 0.00 -0.57 0.21 0.00 0.42 0.00 0.00 52.86 52.92 1wfq s ASN 52 Cb 0.00 -1.68 1.17 0.00 -1.45 0.00 0.00 41.25 39.29 1wfq s ASN 52 CO 0.00 -0.05 1.73 -0.07 -3.72 0.00 0.00 177.10 174.99 1wfq h LEU 53 N 8.06 0.41 -0.97 3.21 -0.00 -1.92 0.23 115.31 124.33 1wfq h LEU 53 Ca -0.40 0.10 0.25 0.00 -0.00 0.00 0.00 57.88 57.83 1wfq h LEU 53 Cb 1.14 0.05 -0.13 0.00 -0.00 0.00 0.00 40.66 41.72 1wfq h LEU 53 CO 0.60 0.01 0.52 1.56 -0.00 0.00 0.00 178.44 181.14 1wfq h GLN 54 N 0.32 0.48 0.03 1.13 4.20 -1.98 0.20 115.11 119.49 1wfq h GLN 54 Ca 0.66 -0.03 -0.24 0.00 0.06 0.00 0.00 58.65 59.10 1wfq h GLN 54 Cb 1.75 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 29.43 1wfq h GLN 54 CO -0.35 0.31 -1.01 -0.44 -0.67 0.00 0.00 178.83 176.68 1wfq h ASP 55 N 0.49 0.52 -4.01 1.46 5.19 -0.97 -3.45 116.42 115.65 1wfq h ASP 55 Ca 0.63 -0.44 -0.54 0.00 -0.62 0.00 0.00 57.03 56.05 1wfq h ASP 55 Cb 1.22 -0.16 0.12 0.00 0.18 0.00 0.00 39.33 40.69 1wfq h ASP 55 CO -0.51 1.26 0.63 -0.22 -3.12 0.00 0.00 179.24 177.28 1wfq s LEU 56 N -7.61 4.01 0.00 1.55 2.96 0.70 -5.03 118.68 115.26 1wfq s LEU 56 Ca -0.05 2.77 -0.15 0.00 -0.22 0.00 0.00 54.13 56.47 1wfq s LEU 56 Cb 0.08 -4.10 0.02 0.00 0.50 0.00 0.00 46.19 42.70 1wfq s LEU 56 CO 0.87 -1.27 0.32 -1.59 -1.32 0.00 0.00 176.35 173.36 1wfq s LYS 57 N -2.63 0.72 0.17 1.98 -2.85 -1.26 -4.95 119.74 110.92 1wfq s LYS 57 Ca 0.65 -0.27 -0.32 0.00 -1.00 0.00 0.00 55.97 55.04 1wfq s LYS 57 Cb -0.40 0.32 -0.10 0.00 -2.06 0.00 0.00 37.83 35.58 1wfq s LYS 57 CO 0.50 -0.21 1.63 0.08 0.10 0.00 0.00 175.35 177.45 1wfq s VAL 58 N -1.67 2.48 0.00 1.79 1.01 -1.26 -2.82 120.40 119.92 1wfq s VAL 58 Ca -0.11 0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.18 1wfq s VAL 58 Cb -0.04 -3.20 0.00 0.00 0.00 0.00 0.00 36.38 33.14 1wfq s VAL 58 CO 0.02 0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.75 1wfq n GLY 59 N 3.85 1.03 3.52 4.51 0.00 -0.24 -4.99 105.19 112.88 1wfq n GLY 59 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 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 4.23 0.19 1.61 1.11 -1.13 -4.89 116.67 115.79 1wfq s ASP 60 Ca 0.00 -0.20 -0.30 0.00 0.18 0.00 0.00 52.55 52.23 1wfq s ASP 60 Cb 0.00 -0.91 -0.08 0.00 1.07 0.00 0.00 42.92 43.00 1wfq s ASP 60 CO 0.00 0.31 1.16 -1.81 1.18 0.00 0.00 175.17 176.01 1wfq s ASP 61 N -1.07 7.16 0.16 0.27 1.11 -1.26 -3.01 116.67 120.03 1wfq s ASP 61 Ca 0.14 2.19 -0.08 0.00 0.18 0.00 0.00 52.55 54.98 1wfq s ASP 61 Cb -0.11 -2.61 -0.01 0.00 1.07 0.00 0.00 42.92 41.26 1wfq s ASP 61 CO 0.03 -0.30 0.25 0.68 1.18 0.00 0.00 175.17 177.02 1wfq s VAL 62 N -0.22 0.07 -0.06 -1.27 -7.23 -1.26 -3.04 120.40 107.39 1wfq s VAL 62 Ca 0.51 -1.43 0.06 0.00 -1.81 0.00 0.00 61.98 59.31 1wfq s VAL 62 Cb -0.31 -1.83 -0.01 0.00 0.56 0.00 0.00 36.38 34.79 1wfq s VAL 62 CO 0.37 -0.34 -0.24 -0.70 -0.31 0.00 0.00 175.10 173.88 1wfq s GLU 63 N -3.97 2.48 0.31 4.82 2.12 0.97 -3.26 118.70 122.17 1wfq s GLU 63 Ca 0.17 -0.87 0.00 0.00 0.36 0.00 0.00 54.97 54.63 1wfq s GLU 63 Cb 0.04 -2.10 -0.02 0.00 0.26 0.00 0.00 34.13 32.31 1wfq s GLU 63 CO -0.01 0.36 0.36 -0.59 -0.54 0.00 0.00 175.26 174.84 1wfq s PHE 64 N -0.13 1.24 -0.16 5.30 -0.12 0.18 0.08 117.98 124.38 1wfq s PHE 64 Ca -0.04 -1.38 0.00 0.00 -0.05 0.00 0.00 56.93 55.46 1wfq s PHE 64 Cb -0.14 -0.34 0.03 0.00 -0.63 0.00 0.00 43.02 41.94 1wfq s PHE 64 CO 0.04 -0.96 -0.13 -2.00 -0.05 0.00 0.00 175.22 172.12 1wfq s GLU 65 N -3.44 2.20 -0.18 1.99 2.12 -0.88 0.55 118.70 121.05 1wfq s GLU 65 Ca 0.34 -0.61 -0.29 0.00 0.36 0.00 0.00 54.97 54.78 1wfq s GLU 65 Cb 0.02 -2.15 -0.03 0.00 0.26 0.00 0.00 34.13 32.22 1wfq s GLU 65 CO 0.20 -0.28 1.61 0.08 -0.54 0.00 0.00 175.26 176.33 1wfq s VAL 66 N 1.48 3.70 0.41 3.70 1.01 -1.26 -2.26 120.40 127.19 1wfq s VAL 66 Ca 0.04 0.81 0.03 0.00 0.00 0.00 0.00 61.98 62.86 1wfq s VAL 66 Cb -0.14 -3.67 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 1wfq s VAL 66 CO -0.10 -0.24 0.08 -0.44 0.00 0.00 0.00 175.10 174.40 1wfq s SER 67 N 3.96 3.06 -0.17 3.32 0.01 0.21 -4.93 113.70 119.15 1wfq s SER 67 Ca 0.71 -1.59 -0.04 0.00 1.31 0.00 0.00 55.95 56.34 1wfq s SER 67 Cb -0.26 0.32 -0.03 0.00 0.21 0.00 0.00 66.02 66.26 1wfq s SER 67 CO 0.28 -0.81 -0.02 -0.94 0.41 0.00 0.00 173.24 172.16 1wfq s SER 68 N -3.65 4.91 0.97 2.44 1.04 -1.26 -0.83 113.70 117.32 1wfq s SER 68 Ca 0.23 -0.12 -0.12 0.00 0.48 0.00 0.00 55.95 56.43 1wfq s SER 68 Cb 0.04 -1.82 0.17 0.00 0.10 0.00 0.00 66.02 64.52 1wfq s SER 68 CO 0.12 0.15 1.09 -0.62 0.98 0.00 0.00 173.24 174.95 1wfq s ASP 69 N 0.51 2.76 0.00 7.02 2.15 -0.98 -4.86 116.67 123.27 1wfq s ASP 69 Ca -0.02 1.57 0.20 0.00 0.43 0.00 0.00 52.55 54.74 1wfq s ASP 69 Cb -0.14 -2.23 0.19 0.00 -0.30 0.00 0.00 42.92 40.44 1wfq s ASP 69 CO 0.02 -3.10 1.17 0.54 -0.17 0.00 0.00 175.17 173.63 1wfq n ARG 70 N -4.19 1.90 -0.00 4.34 5.12 -1.26 -2.76 116.66 119.80 1wfq n ARG 70 Ca 0.07 -1.77 -0.00 0.00 -1.93 0.00 0.00 57.85 54.21 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 1.16 0.70 -0.00 5.56 5.12 -1.26 -4.80 116.66 123.14 1wfq n ARG 71 Ca 0.13 0.00 0.02 0.00 -1.93 0.00 0.00 57.85 56.07 1wfq n ARG 71 Cb 0.51 -1.00 -0.03 0.00 -1.16 0.00 0.00 32.46 30.78 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 -2.42 0.00 -0.92 0.55 -2.24 -1.26 -4.98 114.28 103.01 1wfq n THR 72 Ca -0.00 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 1wfq n THR 72 Cb 0.50 0.84 0.00 0.00 -2.10 0.00 0.00 70.33 69.57 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 1.41 0.00 3.81 3.38 0.00 -1.11 -4.88 105.19 107.79 1wfq n GLY 73 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.84 3.71 -0.62 1.61 -0.14 -1.26 -4.21 119.74 116.99 1wfq s LYS 74 Ca 0.00 1.19 -0.26 0.00 -1.36 0.00 0.00 55.97 55.54 1wfq s LYS 74 Cb 0.00 -2.09 -0.02 0.00 -1.68 0.00 0.00 37.83 34.04 1wfq s LYS 74 CO 0.00 -0.48 1.86 -1.25 -0.76 0.00 0.00 175.35 174.72 1wfq s PRO 75 N -3.70 2.62 0.31 -1.68 0.04 -1.25 -2.32 135.00 129.01 1wfq s PRO 75 Ca 0.64 0.60 0.08 0.00 0.04 0.00 0.00 61.00 62.35 1wfq s PRO 75 Cb -0.14 -4.40 -0.04 0.00 0.04 0.00 0.00 34.50 29.96 1wfq s PRO 75 CO 0.28 -2.75 0.13 0.96 0.04 0.00 0.00 177.00 175.66 1wfq s ILE 76 N 9.10 3.34 0.16 0.56 -4.36 -0.01 -4.63 121.20 125.37 1wfq s ILE 76 Ca 0.67 -1.67 -0.12 0.00 -0.26 0.00 0.00 60.65 59.27 1wfq s ILE 76 Cb -0.13 -3.02 -0.07 0.00 1.25 0.00 0.00 42.46 40.50 1wfq s ILE 76 CO 0.20 -0.24 0.51 0.00 0.24 0.00 0.00 174.94 175.65 1wfq s ALA 77 N -2.36 3.61 0.11 2.27 0.00 -1.19 -0.62 121.76 123.58 1wfq s ALA 77 Ca 0.36 -0.24 -0.08 0.00 0.00 0.00 0.00 51.96 52.00 1wfq s ALA 77 Cb -0.04 -2.43 -0.01 0.00 0.00 0.00 0.00 23.12 20.64 1wfq s ALA 77 CO 0.23 0.50 0.19 0.14 0.00 0.00 0.00 175.76 176.82 1wfq s VAL 78 N -1.57 0.12 -1.41 0.00 -7.23 -0.96 -4.45 120.40 104.91 1wfq s VAL 78 Ca 0.40 -1.34 -0.05 0.00 -1.81 0.00 0.00 61.98 59.18 1wfq s VAL 78 Cb -0.13 -1.55 0.00 0.00 0.56 0.00 0.00 36.38 35.26 1wfq s VAL 78 CO 0.20 -0.56 0.36 0.29 -0.31 0.00 0.00 175.10 175.07 1wfq n LYS 79 N -0.09 -2.18 -1.33 4.82 4.76 -1.24 -2.08 118.16 120.81 1wfq n LYS 79 Ca -0.12 0.29 -0.33 0.00 -2.87 0.00 0.00 58.31 55.28 1wfq n LYS 79 Cb 0.63 -4.05 0.10 0.00 -1.84 0.00 0.00 35.03 29.86 1wfq n LYS 79 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1wfq s LEU 80 N -7.08 3.20 -0.30 -0.35 2.96 -1.04 -4.60 118.68 111.47 1wfq s LEU 80 Ca 0.09 2.19 -0.12 0.00 -0.22 0.00 0.00 54.13 56.07 1wfq s LEU 80 Cb -0.04 -4.57 0.14 0.00 0.50 0.00 0.00 46.19 42.23 1wfq s LEU 80 CO 0.92 -2.28 0.76 0.68 -1.32 0.00 0.00 176.35 175.12 1wfq s VAL 81 N -2.30 -0.83 0.12 1.68 -7.23 0.11 -2.66 120.40 109.30 1wfq s VAL 81 Ca 0.70 0.00 -0.32 0.00 -1.81 0.00 0.00 61.98 60.55 1wfq s VAL 81 Cb -0.25 -1.00 -0.11 0.00 0.56 0.00 0.00 36.38 35.58 1wfq s VAL 81 CO 0.48 0.00 1.82 1.17 -0.31 0.00 0.00 175.10 178.26 1wfq n LYS 82 N 5.29 2.73 0.30 4.82 4.81 -1.26 -0.02 118.16 134.84 1wfq n LYS 82 Ca -0.11 0.99 -0.12 0.00 -0.87 0.00 0.00 58.31 58.21 1wfq n LYS 82 Cb 0.50 -2.87 -0.06 0.00 0.02 0.00 0.00 35.03 32.62 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 4.57 0.00 -1.88 3.15 2.04 -1.84 -3.46 117.51 120.10 1wfq h ILE 83 Ca -0.46 -0.05 -0.47 0.00 1.00 0.00 0.00 64.86 64.87 1wfq h ILE 83 Cb 1.22 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 1wfq h ILE 83 CO 0.95 0.00 -0.41 -0.44 0.00 0.00 0.00 178.15 178.24 1wfq s SER 84 N -3.35 5.62 0.00 1.72 0.01 -1.26 -5.08 113.70 111.35 1wfq s SER 84 Ca -0.11 -0.33 0.00 0.00 1.31 0.00 0.00 55.95 56.82 1wfq s SER 84 Cb 0.01 -1.15 0.00 0.00 0.21 0.00 0.00 66.02 65.09 1wfq s SER 84 CO 0.34 -0.34 0.00 0.61 0.41 0.00 0.00 173.24 174.26 1wfq n GLY 85 N -1.46 3.64 3.77 3.44 0.00 -1.26 -5.01 105.19 108.31 1wfq n GLY 85 Ca -0.02 -0.12 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.58 2.85 -0.28 1.61 0.04 -1.26 -5.00 135.00 132.38 1wfq s PRO 86 Ca 0.00 1.41 0.18 0.00 0.04 0.00 0.00 61.00 62.63 1wfq s PRO 86 Cb 0.00 -1.96 0.49 0.00 0.04 0.00 0.00 34.50 33.08 1wfq s PRO 86 CO 0.00 -1.21 1.12 -1.13 0.04 0.00 0.00 177.00 175.82 1wfq n SER 87 N -2.32 2.51 -4.34 6.66 3.41 -1.26 -5.08 113.62 113.20 1wfq n SER 87 Ca 0.10 -2.55 -0.17 0.00 -0.26 0.00 0.00 58.87 55.99 1wfq n SER 87 Cb 0.52 -0.45 -0.10 0.00 -0.26 0.00 0.00 64.21 63.92 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 -3.71 1.92 0.00 4.04 1.04 -1.26 -5.39 113.70 110.34 1wfq s SER 88 Ca 0.34 -1.21 0.00 0.00 0.48 0.00 0.00 55.95 55.56 1wfq s SER 88 Cb 0.35 -0.01 0.00 0.00 0.10 0.00 0.00 66.02 66.46 1wfq s SER 88 CO -0.02 -0.49 0.00 0.61 0.98 0.00 0.00 173.24 174.32