#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfq h SER 2 N 0.00 0.19 -3.31 1.61 4.64 -2.02 -3.42 113.55 111.24 1wfq h SER 2 Ca 0.00 -0.74 -0.78 0.00 -0.47 0.00 0.00 61.79 59.80 1wfq h SER 2 Cb 0.00 -0.06 -0.26 0.00 -0.31 0.00 0.00 62.40 61.77 1wfq h SER 2 CO 0.00 1.54 0.59 -0.94 -0.87 0.00 0.00 176.83 177.14 1wfq s SER 3 N -6.88 7.20 0.00 4.97 1.04 -1.26 -4.93 113.70 113.84 1wfq s SER 3 Ca -0.24 -3.36 0.00 0.00 0.48 0.00 0.00 55.95 52.84 1wfq s SER 3 Cb 0.05 -2.25 0.00 0.00 0.10 0.00 0.00 66.02 63.92 1wfq s SER 3 CO 0.69 -0.42 0.00 0.61 0.98 0.00 0.00 173.24 175.10 1wfq n GLY 4 N 3.16 -1.24 3.25 7.32 0.00 -1.26 -5.07 105.19 111.34 1wfq n GLY 4 Ca 0.25 -1.15 -0.43 0.00 0.00 0.00 0.00 46.02 44.69 1wfq n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wfq s SER 5 N -4.00 6.06 -0.05 1.61 0.01 -1.26 -5.05 113.70 111.02 1wfq s SER 5 Ca 0.00 -2.32 0.06 0.00 1.31 0.00 0.00 55.95 55.00 1wfq s SER 5 Cb 0.00 -2.09 -0.01 0.00 0.21 0.00 0.00 66.02 64.14 1wfq s SER 5 CO 0.00 -0.63 -0.22 -0.44 0.41 0.00 0.00 173.24 172.36 1wfq s SER 6 N 2.32 2.73 0.59 2.44 0.01 -1.26 -5.06 113.70 115.47 1wfq s SER 6 Ca 0.11 -0.45 0.00 0.00 1.31 0.00 0.00 55.95 56.92 1wfq s SER 6 Cb -0.21 -0.71 0.00 0.00 0.21 0.00 0.00 66.02 65.31 1wfq s SER 6 CO -0.03 0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.45 1wfq n GLY 7 N 2.98 -3.26 0.00 3.44 0.00 -1.26 -5.05 105.19 102.03 1wfq n GLY 7 Ca -0.17 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.79 1wfq n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wfq n GLY 8 N -4.31 3.70 3.03 -0.02 0.00 -1.26 -5.09 105.19 101.24 1wfq n GLY 8 Ca -0.08 -1.30 -0.10 0.00 0.00 0.00 0.00 46.02 44.54 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 0.00 0.46 0.48 1.61 2.02 -1.26 -3.74 117.35 116.92 1wfq s TYR 9 Ca 0.00 -0.62 -0.22 0.00 -0.37 0.00 0.00 57.07 55.86 1wfq s TYR 9 Cb 0.00 -0.30 -0.07 0.00 -0.40 0.00 0.00 41.96 41.19 1wfq s TYR 9 CO 0.00 -0.18 1.16 -1.25 -1.57 0.00 0.00 175.55 173.71 1wfq s PRO 10 N -1.97 3.66 0.70 -1.71 0.04 -1.26 -5.11 135.00 129.35 1wfq s PRO 10 Ca -0.09 1.73 -0.16 0.00 0.04 0.00 0.00 61.00 62.52 1wfq s PRO 10 Cb -0.07 -2.31 0.00 0.00 0.04 0.00 0.00 34.50 32.17 1wfq s PRO 10 CO -0.02 -0.63 1.02 0.09 0.04 0.00 0.00 177.00 177.50 1wfq n ASN 11 N -0.69 0.72 -4.57 6.66 3.02 -1.25 -4.81 115.26 114.34 1wfq n ASN 11 Ca 0.08 0.70 -0.28 0.00 -0.03 0.00 0.00 54.58 55.05 1wfq n ASN 11 Cb 0.49 -1.43 -0.05 0.00 -0.61 0.00 0.00 39.78 38.18 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 -1.59 0.22 0.05 7.41 0.00 -1.26 -4.93 107.32 107.22 1wfq s GLY 12 Ca 0.75 -1.78 0.06 0.00 0.00 0.00 0.00 44.72 43.75 1wfq s GLY 12 CO 0.49 3.49 -0.14 -1.59 0.00 0.00 0.00 173.10 175.35 1wfq s THR 13 N 10.23 3.12 0.25 0.90 2.01 -1.26 -5.13 115.64 125.76 1wfq s THR 13 Ca 0.69 -1.13 0.05 0.00 0.31 0.00 0.00 61.69 61.61 1wfq s THR 13 Cb -0.04 -2.37 -0.03 0.00 0.01 0.00 0.00 72.50 70.07 1wfq s THR 13 CO 0.04 0.29 0.36 -0.94 -0.69 0.00 0.00 174.62 173.68 1wfq s SER 14 N -1.65 6.21 0.06 3.53 1.04 -1.26 -5.13 113.70 116.50 1wfq s SER 14 Ca 0.17 0.01 0.07 0.00 0.48 0.00 0.00 55.95 56.68 1wfq s SER 14 Cb -0.11 -1.74 -0.03 0.00 0.10 0.00 0.00 66.02 64.25 1wfq s SER 14 CO 0.08 -0.12 -0.19 0.00 0.98 0.00 0.00 173.24 173.99 1wfq s ALA 15 N -2.02 1.64 -0.18 5.32 0.00 -1.26 -5.13 121.76 120.12 1wfq s ALA 15 Ca 0.35 -1.06 -0.07 0.00 0.00 0.00 0.00 51.96 51.18 1wfq s ALA 15 Cb -0.09 -0.28 -0.04 0.00 0.00 0.00 0.00 23.12 22.71 1wfq s ALA 15 CO 0.29 0.35 0.06 0.00 0.00 0.00 0.00 175.76 176.45 1wfq s ALA 16 N -0.91 3.36 -0.23 0.00 0.00 -1.26 -5.09 121.76 117.63 1wfq s ALA 16 Ca 0.06 -0.77 -0.04 0.00 0.00 0.00 0.00 51.96 51.21 1wfq s ALA 16 Cb -0.09 -1.90 0.00 0.00 0.00 0.00 0.00 23.12 21.13 1wfq s ALA 16 CO 0.02 0.15 -0.04 -1.17 0.00 0.00 0.00 175.76 174.72 1wfq s LEU 17 N 0.43 3.00 -0.15 0.00 1.98 -1.26 -5.08 118.68 117.60 1wfq s LEU 17 Ca 0.03 -0.51 -0.29 0.00 -2.89 0.00 0.00 54.13 50.46 1wfq s LEU 17 Cb -0.13 -1.73 -0.01 0.00 0.66 0.00 0.00 46.19 44.99 1wfq s LEU 17 CO 0.01 -0.05 1.12 -0.13 -1.89 0.00 0.00 176.35 175.40 1wfq s ARG 18 N 1.45 4.31 0.14 1.98 1.81 -1.26 -4.49 118.95 122.88 1wfq s ARG 18 Ca 0.05 1.50 -0.02 0.00 -1.72 0.00 0.00 55.73 55.54 1wfq s ARG 18 Cb -0.15 -3.63 -0.05 0.00 -0.45 0.00 0.00 34.95 30.67 1wfq s ARG 18 CO -0.03 -0.54 0.33 -1.21 -0.68 0.00 0.00 175.30 173.17 1wfq s GLU 19 N 2.81 3.54 -0.01 3.54 0.41 0.33 -4.85 118.70 124.47 1wfq s GLU 19 Ca 0.50 -0.27 0.07 0.00 -0.41 0.00 0.00 54.97 54.86 1wfq s GLU 19 Cb -0.19 -2.90 -0.02 0.00 -1.78 0.00 0.00 34.13 29.23 1wfq s GLU 19 CO 0.14 0.49 -0.22 0.95 -0.49 0.00 0.00 175.26 176.13 1wfq s THR 20 N -1.68 2.45 0.00 3.63 -4.23 -1.26 -0.34 115.64 114.21 1wfq s THR 20 Ca 0.38 -1.06 0.00 0.00 -1.18 0.00 0.00 61.69 59.84 1wfq s THR 20 Cb -0.12 -1.93 0.00 0.00 1.34 0.00 0.00 72.50 71.79 1wfq s THR 20 CO 0.27 0.51 0.00 0.61 -0.54 0.00 0.00 174.62 175.47 1wfq n GLY 21 N 2.17 4.79 3.28 3.99 0.00 -1.13 -2.80 105.19 115.50 1wfq n GLY 21 Ca -0.16 -0.55 -0.13 0.00 0.00 0.00 0.00 46.02 45.17 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 1.31 -0.00 -0.85 1.61 0.11 -1.05 -3.82 120.40 117.70 1wfq s VAL 22 Ca 0.00 0.01 -0.25 0.00 -2.93 0.00 0.00 61.98 58.81 1wfq s VAL 22 Cb 0.00 -0.56 -0.08 0.00 -1.53 0.00 0.00 36.38 34.22 1wfq s VAL 22 CO 0.00 0.00 2.12 -0.63 -3.33 0.00 0.00 175.10 173.26 1wfq s ILE 23 N 0.30 3.28 0.05 7.04 -1.09 -1.05 0.11 121.20 129.85 1wfq s ILE 23 Ca -0.01 -0.22 -0.24 0.00 -2.23 0.00 0.00 60.65 57.95 1wfq s ILE 23 Cb -0.03 -3.64 -0.17 0.00 -1.58 0.00 0.00 42.46 37.04 1wfq s ILE 23 CO -0.00 -0.60 1.57 -0.08 -1.23 0.00 0.00 174.94 174.59 1wfq h GLU 24 N 12.04 -0.01 -3.95 2.79 4.57 -1.65 -1.11 114.58 127.26 1wfq h GLU 24 Ca 0.05 0.00 -0.13 0.00 -1.18 0.00 0.00 59.36 58.10 1wfq h GLU 24 Cb 1.01 0.00 -0.17 0.00 -0.16 0.00 0.00 28.75 29.43 1wfq h GLU 24 CO 1.14 0.16 -0.59 0.21 -1.18 0.00 0.00 179.01 178.75 1wfq s LYS 25 N -5.51 0.55 -0.03 1.92 2.36 -1.09 -4.80 119.74 113.15 1wfq s LYS 25 Ca -0.14 -0.85 -0.02 0.00 -2.55 0.00 0.00 55.97 52.41 1wfq s LYS 25 Cb 0.04 0.21 0.01 0.00 -1.05 0.00 0.00 37.83 37.04 1wfq s LYS 25 CO 0.66 -0.12 0.07 -1.17 1.55 0.00 0.00 175.35 176.34 1wfq s LEU 26 N -2.23 1.71 0.00 5.43 2.96 -1.26 0.74 118.68 126.02 1wfq s LEU 26 Ca -0.04 0.13 0.01 0.00 -0.22 0.00 0.00 54.13 54.02 1wfq s LEU 26 Cb -0.00 0.22 -0.00 0.00 0.50 0.00 0.00 46.19 46.90 1wfq s LEU 26 CO -0.05 -0.03 0.04 0.18 -1.32 0.00 0.00 176.35 175.17 1wfq n LEU 27 N 3.10 0.00 0.06 -0.68 4.32 0.33 -4.95 117.00 119.18 1wfq n LEU 27 Ca -0.13 -1.44 0.13 0.00 -0.02 0.00 0.00 56.01 54.55 1wfq n LEU 27 Cb 0.59 0.36 0.39 0.00 -1.62 0.00 0.00 43.42 43.14 1wfq n LEU 27 CO 0.24 -0.22 0.74 0.41 -1.22 0.00 0.00 177.39 177.34 1wfq n THR 28 N -0.48 0.33 -0.06 -5.08 -1.04 -1.26 -4.09 114.28 102.61 1wfq n THR 28 Ca -0.05 -0.18 -0.09 0.00 -2.04 0.00 0.00 64.05 61.69 1wfq n THR 28 Cb 0.28 -0.38 -0.05 0.00 -1.82 0.00 0.00 70.33 68.37 1wfq n THR 28 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1wfq n SER 29 N -1.96 2.77 -1.96 8.00 7.64 -1.26 -5.06 113.62 121.78 1wfq n SER 29 Ca 0.05 -0.03 -0.06 0.00 1.01 0.00 0.00 58.87 59.85 1wfq n SER 29 Cb 0.40 -0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.40 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 -2.94 -1.40 -3.66 1.43 0.18 -1.26 -3.18 117.16 106.33 1wfq n TYR 30 Ca -0.20 -1.06 -0.10 0.00 1.88 0.00 0.00 57.90 58.41 1wfq n TYR 30 Cb 0.70 0.40 -0.05 0.00 -0.38 0.00 0.00 39.34 40.01 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 -2.08 -0.23 0.16 -7.48 0.00 -0.12 0.12 107.32 97.70 1wfq s GLY 31 Ca 0.11 -0.11 0.05 0.00 0.00 0.00 0.00 44.72 44.77 1wfq s GLY 31 CO 0.08 -0.35 0.16 -1.36 0.00 0.00 0.00 173.10 171.63 1wfq s PHE 32 N -3.81 3.20 -0.13 1.90 0.40 0.23 0.14 117.98 119.90 1wfq s PHE 32 Ca 0.04 -0.00 -0.02 0.00 -0.60 0.00 0.00 56.93 56.35 1wfq s PHE 32 Cb 0.02 -1.53 0.04 0.00 0.51 0.00 0.00 43.02 42.06 1wfq s PHE 32 CO -0.11 0.52 -0.00 0.42 0.70 0.00 0.00 175.22 176.75 1wfq s ILE 33 N -1.76 0.57 -0.95 0.64 1.01 -0.10 -1.73 121.20 118.88 1wfq s ILE 33 Ca 0.32 -0.24 -0.23 0.00 0.00 0.00 0.00 60.65 60.50 1wfq s ILE 33 Cb -0.10 -0.84 0.06 0.00 0.01 0.00 0.00 42.46 41.59 1wfq s ILE 33 CO 0.24 0.09 1.34 -1.58 0.00 0.00 0.00 174.94 175.04 1wfq s GLN 34 N 1.87 3.52 0.35 2.79 2.00 0.31 0.41 119.66 130.90 1wfq s GLN 34 Ca 0.02 -1.12 -0.21 0.00 -2.00 0.00 0.00 55.36 52.05 1wfq s GLN 34 Cb -0.14 -5.08 -0.15 0.00 0.80 0.00 0.00 33.01 28.44 1wfq s GLN 34 CO -0.07 -2.10 0.16 0.00 -0.50 0.00 0.00 175.29 172.78 1wfq n SER 36 N 2.17 1.23 -0.10 0.00 7.64 -1.12 -2.97 113.62 120.48 1wfq n SER 36 Ca 0.12 -1.12 -0.14 0.00 1.01 0.00 0.00 58.87 58.74 1wfq n SER 36 Cb 0.35 0.84 -0.09 0.00 -1.01 0.00 0.00 64.21 64.30 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 -1.02 0.50 -0.19 1.43 1.02 -1.26 -4.55 120.64 116.57 1wfq n GLU 37 Ca 0.05 0.12 0.09 0.00 -0.02 0.00 0.00 57.16 57.40 1wfq n GLU 37 Cb 0.34 -1.39 0.19 0.00 -0.02 0.00 0.00 31.44 30.56 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 -3.13 2.36 -4.05 3.49 1.85 -1.26 -4.97 116.66 110.94 1wfq n ARG 38 Ca -0.36 -2.12 -0.27 0.00 -1.00 0.00 0.00 57.85 54.10 1wfq n ARG 38 Cb 0.87 -1.41 -0.08 0.00 -1.05 0.00 0.00 32.46 30.79 1wfq n ARG 38 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1wfq n GLN 39 N 1.10 -0.94 -4.94 2.89 -0.00 -1.16 -4.91 117.38 109.44 1wfq n GLN 39 Ca 0.16 0.08 -0.27 0.00 -0.00 0.00 0.00 57.00 56.97 1wfq n GLN 39 Cb 0.51 -3.12 -0.16 0.00 -0.00 0.00 0.00 30.24 27.47 1wfq n GLN 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1wfq s ALA 40 N -4.09 1.67 -0.77 2.61 0.00 -1.25 -4.90 121.76 115.03 1wfq s ALA 40 Ca 0.05 -0.78 -0.26 0.00 0.00 0.00 0.00 51.96 50.97 1wfq s ALA 40 Cb -0.03 -0.53 -0.00 0.00 0.00 0.00 0.00 23.12 22.56 1wfq s ALA 40 CO 0.85 0.32 1.65 1.03 0.00 0.00 0.00 175.76 179.62 1wfq s ARG 41 N -0.07 2.92 0.75 0.00 0.52 -1.26 -0.96 118.95 120.85 1wfq s ARG 41 Ca -0.02 -0.07 -0.09 0.00 -0.52 0.00 0.00 55.73 55.03 1wfq s ARG 41 Cb -0.11 -4.61 0.07 0.00 0.52 0.00 0.00 34.95 30.81 1wfq s ARG 41 CO 0.02 -2.62 1.08 -0.51 0.02 0.00 0.00 175.30 173.30 1wfq s LEU 42 N 7.72 2.69 -0.21 2.53 1.43 0.16 -4.86 118.68 128.14 1wfq s LEU 42 Ca 0.55 0.58 -0.00 0.00 -1.03 0.00 0.00 54.13 54.23 1wfq s LEU 42 Cb -0.08 -3.16 0.06 0.00 0.03 0.00 0.00 46.19 43.03 1wfq s LEU 42 CO 0.10 -1.74 -0.04 0.12 0.23 0.00 0.00 176.35 175.03 1wfq s PHE 43 N -3.39 1.98 -0.06 0.29 5.36 -1.26 -0.92 117.98 119.98 1wfq s PHE 43 Ca 0.61 -1.43 -0.01 0.00 -0.96 0.00 0.00 56.93 55.14 1wfq s PHE 43 Cb -0.11 -1.42 -0.03 0.00 -0.34 0.00 0.00 43.02 41.12 1wfq s PHE 43 CO 0.46 -0.71 0.00 -0.59 -1.46 0.00 0.00 175.22 172.93 1wfq s PHE 44 N 1.54 3.13 0.01 10.12 -0.71 0.12 -2.77 117.98 129.42 1wfq s PHE 44 Ca -0.03 0.16 -0.12 0.00 -1.04 0.00 0.00 56.93 55.90 1wfq s PHE 44 Cb -0.18 -1.75 -0.05 0.00 -1.21 0.00 0.00 43.02 39.82 1wfq s PHE 44 CO -0.07 0.46 0.37 -1.58 -1.34 0.00 0.00 175.22 173.07 1wfq s HIS 45 N -0.94 3.66 0.01 3.49 2.46 -1.26 -0.94 115.29 121.77 1wfq s HIS 45 Ca 0.15 0.86 0.16 0.00 0.47 0.00 0.00 55.06 56.70 1wfq s HIS 45 Cb -0.11 -2.20 0.86 0.00 -0.13 0.00 0.00 32.58 31.00 1wfq s HIS 45 CO 0.05 0.61 1.41 0.00 -2.47 0.00 0.00 174.74 174.33 1wfq h SER 47 N 0.00 0.00 0.09 0.00 0.87 -1.92 -3.34 113.55 109.25 1wfq h SER 47 Ca 0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1wfq h SER 47 Cb 0.48 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.45 1wfq h SER 47 CO 0.00 0.92 -0.04 1.56 -0.53 0.00 0.00 176.83 178.74 1wfq h GLN 48 N 0.00 -0.11 -6.32 2.24 1.08 -0.36 -3.43 115.11 108.21 1wfq h GLN 48 Ca -0.06 0.01 -0.63 0.00 -1.45 0.00 0.00 58.65 56.52 1wfq h GLN 48 Cb 1.75 0.03 0.03 0.00 -0.05 0.00 0.00 27.48 29.23 1wfq h GLN 48 CO 0.11 0.11 0.95 0.98 -0.95 0.00 0.00 178.83 180.03 1wfq n TYR 49 N -5.05 2.22 0.07 2.96 9.36 -1.22 -2.45 117.16 123.06 1wfq n TYR 49 Ca -0.08 0.18 -0.13 0.00 3.32 0.00 0.00 57.90 61.18 1wfq n TYR 49 Cb 0.15 -2.58 -0.05 0.00 -0.63 0.00 0.00 39.34 36.23 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 7.76 0.49 0.00 2.98 -1.24 -1.68 -3.45 115.58 120.45 1wfq h ASN 50 Ca -0.47 -0.41 0.00 0.00 0.71 0.00 0.00 56.30 56.13 1wfq h ASN 50 Cb 1.28 -0.15 0.00 0.00 0.73 0.00 0.00 38.32 40.17 1wfq h ASN 50 CO 0.92 1.22 0.00 0.61 -1.29 0.00 0.00 177.43 178.89 1wfq n GLY 51 N 1.01 -1.19 2.84 1.57 0.00 -1.26 -5.02 105.19 103.14 1wfq n GLY 51 Ca -0.07 -0.82 -0.29 0.00 0.00 0.00 0.00 46.02 44.84 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 -1.48 3.33 0.22 1.61 3.04 -1.26 -5.01 114.94 115.39 1wfq s ASN 52 Ca 0.00 -0.97 0.01 0.00 0.04 0.00 0.00 52.86 51.94 1wfq s ASN 52 Cb 0.00 -0.89 0.53 0.00 -1.54 0.00 0.00 41.25 39.34 1wfq s ASN 52 CO 0.00 -0.26 1.11 0.18 -3.04 0.00 0.00 177.10 175.09 1wfq n LEU 53 N 4.86 -0.09 -0.33 3.21 7.99 -1.26 0.12 117.00 131.50 1wfq n LEU 53 Ca -0.11 1.20 0.06 0.00 -0.01 0.00 0.00 56.01 57.16 1wfq n LEU 53 Cb 0.46 -0.43 0.15 0.00 -0.11 0.00 0.00 43.42 43.49 1wfq n LEU 53 CO 0.16 -1.22 0.71 1.56 -1.51 0.00 0.00 177.39 177.09 1wfq h GLN 54 N 0.00 0.01 -0.37 3.23 1.08 -2.01 0.99 115.11 118.05 1wfq h GLN 54 Ca 0.42 -0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.56 1wfq h GLN 54 Cb 0.86 -0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.27 1wfq h GLN 54 CO -0.67 0.01 -0.05 -0.44 -0.95 0.00 0.00 178.83 176.72 1wfq h ASP 55 N 0.01 0.58 -4.20 1.46 5.19 0.49 -3.44 116.42 116.51 1wfq h ASP 55 Ca 0.47 -0.14 -0.50 0.00 -0.62 0.00 0.00 57.03 56.24 1wfq h ASP 55 Cb 0.77 -0.15 0.14 0.00 0.18 0.00 0.00 39.33 40.27 1wfq h ASP 55 CO -0.93 0.68 0.28 -0.22 -3.12 0.00 0.00 179.24 175.94 1wfq s LEU 56 N -9.01 2.67 0.14 1.55 2.96 0.34 -5.07 118.68 112.26 1wfq s LEU 56 Ca -0.08 1.69 -0.24 0.00 -0.22 0.00 0.00 54.13 55.28 1wfq s LEU 56 Cb 0.15 -4.25 0.07 0.00 0.50 0.00 0.00 46.19 42.66 1wfq s LEU 56 CO 0.79 -2.36 0.74 -1.59 -1.32 0.00 0.00 176.35 172.61 1wfq s LYS 57 N -4.90 1.23 -0.11 1.98 -2.85 -1.26 -4.96 119.74 108.87 1wfq s LYS 57 Ca 0.62 -0.53 -0.30 0.00 -1.00 0.00 0.00 55.97 54.76 1wfq s LYS 57 Cb -0.18 0.52 -0.03 0.00 -2.06 0.00 0.00 37.83 36.08 1wfq s LYS 57 CO 0.57 -0.55 1.27 0.08 0.10 0.00 0.00 175.35 176.82 1wfq s VAL 58 N -3.56 4.19 0.00 1.79 1.01 -1.26 -3.34 120.40 119.23 1wfq s VAL 58 Ca 0.05 1.48 0.00 0.00 0.00 0.00 0.00 61.98 63.51 1wfq s VAL 58 Cb -0.02 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.41 1wfq s VAL 58 CO -0.07 -0.07 0.00 0.61 0.00 0.00 0.00 175.10 175.57 1wfq n GLY 59 N 3.55 1.37 3.31 4.51 0.00 -0.42 -5.00 105.19 112.52 1wfq n GLY 59 Ca 0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 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 2.91 0.39 1.61 1.11 -1.21 -4.90 116.67 114.57 1wfq s ASP 60 Ca 0.00 -0.57 -0.25 0.00 0.18 0.00 0.00 52.55 51.90 1wfq s ASP 60 Cb 0.00 -0.25 -0.09 0.00 1.07 0.00 0.00 42.92 43.65 1wfq s ASP 60 CO 0.00 0.22 1.12 -1.81 1.18 0.00 0.00 175.17 175.88 1wfq s ASP 61 N -1.26 6.68 -0.18 0.27 1.01 -1.26 -2.53 116.67 119.40 1wfq s ASP 61 Ca 0.10 2.24 -0.23 0.00 0.71 0.00 0.00 52.55 55.38 1wfq s ASP 61 Cb -0.10 -2.61 0.06 0.00 1.01 0.00 0.00 42.92 41.29 1wfq s ASP 61 CO 0.02 -0.56 0.61 0.68 0.21 0.00 0.00 175.17 176.13 1wfq s VAL 62 N -1.46 0.00 -0.09 -1.27 -7.23 -1.25 -3.83 120.40 105.28 1wfq s VAL 62 Ca 0.56 -0.03 -0.11 0.00 -1.81 0.00 0.00 61.98 60.59 1wfq s VAL 62 Cb -0.28 -0.87 -0.05 0.00 0.56 0.00 0.00 36.38 35.74 1wfq s VAL 62 CO 0.35 -0.02 0.25 -0.70 -0.31 0.00 0.00 175.10 174.67 1wfq s GLU 63 N -0.06 3.74 0.32 4.82 2.12 0.13 -2.83 118.70 126.94 1wfq s GLU 63 Ca -0.03 0.07 -0.04 0.00 0.36 0.00 0.00 54.97 55.33 1wfq s GLU 63 Cb -0.04 -3.24 0.00 0.00 0.26 0.00 0.00 34.13 31.11 1wfq s GLU 63 CO 0.03 0.66 0.47 -0.59 -0.54 0.00 0.00 175.26 175.28 1wfq s PHE 64 N -0.78 0.94 -0.17 5.30 -0.71 0.54 0.20 117.98 123.31 1wfq s PHE 64 Ca 0.18 -1.20 0.01 0.00 -1.04 0.00 0.00 56.93 54.87 1wfq s PHE 64 Cb -0.14 -0.05 0.02 0.00 -1.21 0.00 0.00 43.02 41.65 1wfq s PHE 64 CO 0.07 -1.10 -0.16 -2.00 -1.34 0.00 0.00 175.22 170.69 1wfq s GLU 65 N -3.23 2.53 -0.15 1.99 2.56 -0.63 0.12 118.70 121.89 1wfq s GLU 65 Ca 0.29 -0.71 -0.29 0.00 0.00 0.00 0.00 54.97 54.26 1wfq s GLU 65 Cb -0.00 -2.33 -0.02 0.00 2.00 0.00 0.00 34.13 33.77 1wfq s GLU 65 CO 0.18 -0.26 1.40 0.08 -0.56 0.00 0.00 175.26 176.11 1wfq s VAL 66 N 1.39 4.03 0.39 3.70 1.01 -1.26 -1.68 120.40 127.98 1wfq s VAL 66 Ca 0.04 1.23 0.04 0.00 0.00 0.00 0.00 61.98 63.29 1wfq s VAL 66 Cb -0.13 -3.84 -0.03 0.00 0.00 0.00 0.00 36.38 32.38 1wfq s VAL 66 CO -0.11 -0.16 0.15 -0.55 0.00 0.00 0.00 175.10 174.43 1wfq s SER 67 N 2.61 2.55 -0.08 3.32 0.15 0.45 -4.94 113.70 117.76 1wfq s SER 67 Ca 0.61 -1.67 -0.00 0.00 0.70 0.00 0.00 55.95 55.59 1wfq s SER 67 Cb -0.25 0.50 -0.03 0.00 -1.71 0.00 0.00 66.02 64.53 1wfq s SER 67 CO 0.21 -0.94 -0.06 -0.55 1.20 0.00 0.00 173.24 173.10 1wfq s SER 68 N -3.56 4.74 0.83 5.45 0.15 -1.26 -0.10 113.70 119.95 1wfq s SER 68 Ca 0.27 -0.01 -0.12 0.00 0.70 0.00 0.00 55.95 56.79 1wfq s SER 68 Cb 0.03 -1.28 0.09 0.00 -1.71 0.00 0.00 66.02 63.15 1wfq s SER 68 CO 0.16 0.34 1.12 -0.62 1.20 0.00 0.00 173.24 175.45 1wfq s ASP 69 N -0.68 4.24 0.00 5.45 2.15 -0.97 -4.89 116.67 121.97 1wfq s ASP 69 Ca 0.10 1.11 0.20 0.00 0.43 0.00 0.00 52.55 54.40 1wfq s ASP 69 Cb -0.11 -1.77 0.11 0.00 -0.30 0.00 0.00 42.92 40.85 1wfq s ASP 69 CO 0.02 -2.11 1.09 0.54 -0.17 0.00 0.00 175.17 174.54 1wfq n ARG 70 N -3.50 1.71 -0.04 4.34 5.12 -1.26 -2.73 116.66 120.30 1wfq n ARG 70 Ca 0.07 -1.48 -0.06 0.00 -1.93 0.00 0.00 57.85 54.45 1wfq n ARG 70 Cb 0.58 -1.38 -0.04 0.00 -1.16 0.00 0.00 32.46 30.46 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 0.81 0.20 -0.00 5.56 5.12 -1.26 -4.79 116.66 122.30 1wfq n ARG 71 Ca 0.11 0.05 0.03 0.00 -1.93 0.00 0.00 57.85 56.10 1wfq n ARG 71 Cb 0.48 -1.14 -0.04 0.00 -1.16 0.00 0.00 32.46 30.59 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 -2.78 0.00 -1.31 0.55 -2.24 -1.26 -5.00 114.28 102.24 1wfq n THR 72 Ca -0.15 -0.20 -0.11 0.00 -2.27 0.00 0.00 64.05 61.32 1wfq n THR 72 Cb 0.65 0.55 -0.05 0.00 -2.10 0.00 0.00 70.33 69.39 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 1.86 1.11 3.86 3.38 0.00 -1.11 -4.90 105.19 109.39 1wfq n GLY 73 Ca -0.00 -0.12 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.79 3.88 -0.63 1.61 1.02 -1.26 -4.35 119.74 117.22 1wfq s LYS 74 Ca 0.00 0.71 -0.26 0.00 0.02 0.00 0.00 55.97 56.44 1wfq s LYS 74 Cb 0.00 -2.28 -0.02 0.00 -0.52 0.00 0.00 37.83 35.01 1wfq s LYS 74 CO 0.00 -0.12 1.87 -1.25 -0.92 0.00 0.00 175.35 174.93 1wfq s PRO 75 N -3.84 2.62 0.33 -1.68 0.04 -1.25 -2.28 135.00 128.93 1wfq s PRO 75 Ca 0.55 0.55 0.08 0.00 0.04 0.00 0.00 61.00 62.22 1wfq s PRO 75 Cb -0.10 -4.44 -0.04 0.00 0.04 0.00 0.00 34.50 29.97 1wfq s PRO 75 CO 0.29 -2.78 0.17 0.96 0.04 0.00 0.00 177.00 175.69 1wfq s ILE 76 N 9.16 3.19 0.09 0.56 -4.36 0.86 -4.61 121.20 126.10 1wfq s ILE 76 Ca 0.67 -1.62 -0.12 0.00 -0.26 0.00 0.00 60.65 59.32 1wfq s ILE 76 Cb -0.12 -3.03 -0.06 0.00 1.25 0.00 0.00 42.46 40.49 1wfq s ILE 76 CO 0.19 -0.19 0.46 0.00 0.24 0.00 0.00 174.94 175.64 1wfq s ALA 77 N -2.39 3.66 0.05 2.27 0.00 -1.11 -0.41 121.76 123.83 1wfq s ALA 77 Ca 0.38 -0.26 -0.07 0.00 0.00 0.00 0.00 51.96 52.01 1wfq s ALA 77 Cb -0.04 -2.39 -0.01 0.00 0.00 0.00 0.00 23.12 20.69 1wfq s ALA 77 CO 0.23 0.51 0.14 0.14 0.00 0.00 0.00 175.76 176.78 1wfq s VAL 78 N -1.38 0.13 -1.32 0.00 -7.23 -0.67 -4.40 120.40 105.54 1wfq s VAL 78 Ca 0.34 -1.09 -0.01 0.00 -1.81 0.00 0.00 61.98 59.41 1wfq s VAL 78 Cb -0.15 -1.02 -0.00 0.00 0.56 0.00 0.00 36.38 35.77 1wfq s VAL 78 CO 0.18 -0.60 0.65 0.29 -0.31 0.00 0.00 175.10 175.30 1wfq n LYS 79 N 0.55 -4.38 -2.02 4.82 5.02 -1.24 -1.61 118.16 119.30 1wfq n LYS 79 Ca -0.18 0.57 -0.36 0.00 -2.02 0.00 0.00 58.31 56.32 1wfq n LYS 79 Cb 0.59 -5.01 0.03 0.00 -0.02 0.00 0.00 35.03 30.63 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 -6.71 3.69 -0.24 -0.35 2.96 -1.02 -4.52 118.68 112.50 1wfq s LEU 80 Ca 0.03 2.40 -0.14 0.00 -0.22 0.00 0.00 54.13 56.20 1wfq s LEU 80 Cb -0.01 -4.57 0.07 0.00 0.50 0.00 0.00 46.19 42.19 1wfq s LEU 80 CO 0.83 -1.55 0.58 0.68 -1.32 0.00 0.00 176.35 175.57 1wfq s VAL 81 N -1.58 -0.01 0.21 1.68 -7.23 0.13 -2.02 120.40 111.59 1wfq s VAL 81 Ca 0.76 0.03 -0.31 0.00 -1.81 0.00 0.00 61.98 60.66 1wfq s VAL 81 Cb -0.31 -0.85 -0.10 0.00 0.56 0.00 0.00 36.38 35.68 1wfq s VAL 81 CO 0.34 0.01 1.48 -0.75 -0.31 0.00 0.00 175.10 175.86 1wfq s LYS 82 N 1.49 4.26 -0.05 4.82 2.20 -1.26 0.18 119.74 131.37 1wfq s LYS 82 Ca -0.09 2.30 -0.14 0.00 -0.36 0.00 0.00 55.97 57.67 1wfq s LYS 82 Cb -0.06 -3.14 -0.09 0.00 -1.51 0.00 0.00 37.83 33.03 1wfq s LYS 82 CO -0.16 -0.48 0.60 0.82 -0.36 0.00 0.00 175.35 175.76 1wfq h ILE 83 N 3.77 0.20 -2.63 5.43 2.04 -1.91 -3.45 117.51 120.97 1wfq h ILE 83 Ca -0.44 -0.79 -0.52 0.00 1.00 0.00 0.00 64.86 64.11 1wfq h ILE 83 Cb 1.21 0.34 0.06 0.00 -0.74 0.00 0.00 36.82 37.69 1wfq h ILE 83 CO 0.83 0.05 1.04 -0.55 0.00 0.00 0.00 178.15 179.53 1wfq s SER 84 N -5.14 6.38 -0.41 1.72 0.15 -1.26 -4.96 113.70 110.17 1wfq s SER 84 Ca -0.08 2.86 0.03 0.00 0.70 0.00 0.00 55.95 59.46 1wfq s SER 84 Cb 0.01 -2.59 0.16 0.00 -1.71 0.00 0.00 66.02 61.89 1wfq s SER 84 CO 0.26 -0.99 0.32 -0.83 1.20 0.00 0.00 173.24 173.21 1wfq s GLY 85 N 1.52 1.19 0.30 9.45 0.00 -1.26 -5.12 107.32 113.39 1wfq s GLY 85 Ca 0.76 -2.39 -0.29 0.00 0.00 0.00 0.00 44.72 42.80 1wfq s GLY 85 CO 0.33 2.09 1.24 2.56 0.00 0.00 0.00 173.10 179.32 1wfq s PRO 86 N 0.20 4.46 -0.54 2.90 0.04 -1.26 -4.94 135.00 135.85 1wfq s PRO 86 Ca 0.30 2.06 -0.27 0.00 0.04 0.00 0.00 61.00 63.13 1wfq s PRO 86 Cb -0.01 -3.13 -0.01 0.00 0.04 0.00 0.00 34.50 31.39 1wfq s PRO 86 CO -0.16 -0.06 1.76 -1.12 0.04 0.00 0.00 177.00 177.46 1wfq s SER 87 N -0.50 5.57 -0.69 6.66 0.01 -1.26 -4.94 113.70 118.54 1wfq s SER 87 Ca 0.48 0.54 -0.16 0.00 1.31 0.00 0.00 55.95 58.12 1wfq s SER 87 Cb -0.37 -2.53 0.16 0.00 0.21 0.00 0.00 66.02 63.49 1wfq s SER 87 CO 0.47 -2.11 0.70 -0.55 0.41 0.00 0.00 173.24 172.16 1wfq s SER 88 N 6.98 6.44 0.00 2.44 0.15 -1.26 -5.38 113.70 123.07 1wfq s SER 88 Ca 0.67 -2.07 0.00 0.00 0.70 0.00 0.00 55.95 55.26 1wfq s SER 88 Cb -0.14 -2.25 0.00 0.00 -1.71 0.00 0.00 66.02 61.92 1wfq s SER 88 CO 0.24 -0.83 0.00 0.61 1.20 0.00 0.00 173.24 174.46