#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 6.72 -0.10 1.61 0.01 -1.26 -5.07 113.70 115.61 1wfq s SER 2 Ca 0.00 0.86 -0.03 0.00 1.31 0.00 0.00 55.95 58.09 1wfq s SER 2 Cb 0.00 -2.25 0.04 0.00 0.21 0.00 0.00 66.02 64.03 1wfq s SER 2 CO 0.00 0.23 0.06 -0.44 0.41 0.00 0.00 173.24 173.49 1wfq s SER 3 N -0.49 1.75 -0.64 2.44 0.01 -1.26 -5.03 113.70 110.49 1wfq s SER 3 Ca 0.23 -0.25 -0.00 0.00 1.31 0.00 0.00 55.95 57.24 1wfq s SER 3 Cb -0.16 -0.27 0.43 0.00 0.21 0.00 0.00 66.02 66.23 1wfq s SER 3 CO 0.11 -0.28 1.86 0.61 0.41 0.00 0.00 173.24 175.95 1wfq n GLY 4 N 5.24 5.89 3.18 3.44 0.00 -1.26 -4.88 105.19 116.81 1wfq n GLY 4 Ca -0.05 -2.43 -0.40 0.00 0.00 0.00 0.00 46.02 43.14 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 -2.03 5.78 -0.19 1.61 0.15 -1.26 -5.03 113.70 112.73 1wfq s SER 5 Ca 0.59 -2.75 0.01 0.00 0.70 0.00 0.00 55.95 54.50 1wfq s SER 5 Cb 0.47 -1.98 0.04 0.00 -1.71 0.00 0.00 66.02 62.84 1wfq s SER 5 CO -0.10 -0.45 -0.12 -0.94 1.20 0.00 0.00 173.24 172.83 1wfq s SER 6 N 1.29 3.34 0.00 5.45 1.04 -1.26 -4.94 113.70 118.62 1wfq s SER 6 Ca 0.17 -0.84 0.00 0.00 0.48 0.00 0.00 55.95 55.75 1wfq s SER 6 Cb -0.17 -1.27 0.00 0.00 0.10 0.00 0.00 66.02 64.68 1wfq s SER 6 CO -0.05 -0.12 0.00 0.61 0.98 0.00 0.00 173.24 174.66 1wfq n GLY 7 N 4.67 0.64 0.00 7.32 0.00 -1.26 -5.11 105.19 111.46 1wfq n GLY 7 Ca -0.15 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 0.00 3.01 3.74 -0.02 0.00 -1.26 -5.07 105.19 105.58 1wfq n GLY 8 Ca 0.00 -1.32 -0.36 0.00 0.00 0.00 0.00 46.02 44.34 1wfq n GLY 8 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1wfq s TYR 9 N 0.00 2.16 0.40 1.61 -0.85 -1.26 -4.25 117.35 115.16 1wfq s TYR 9 Ca 0.00 1.53 -0.26 0.00 -0.52 0.00 0.00 57.07 57.82 1wfq s TYR 9 Cb 0.00 -3.56 -0.09 0.00 0.38 0.00 0.00 41.96 38.70 1wfq s TYR 9 CO 0.00 -2.61 1.19 -1.25 -1.52 0.00 0.00 175.55 171.36 1wfq s PRO 10 N -3.53 4.06 0.45 -3.49 0.04 -1.26 -5.11 135.00 126.16 1wfq s PRO 10 Ca 0.78 1.90 -0.25 0.00 0.04 0.00 0.00 61.00 63.47 1wfq s PRO 10 Cb -0.33 -2.71 -0.08 0.00 0.04 0.00 0.00 34.50 31.42 1wfq s PRO 10 CO 0.39 -0.33 1.42 0.27 0.04 0.00 0.00 177.00 178.80 1wfq n ASN 11 N 0.13 3.27 0.00 6.66 6.94 -1.26 -4.23 115.26 126.77 1wfq n ASN 11 Ca 0.04 1.12 0.00 0.00 -0.02 0.00 0.00 54.58 55.72 1wfq n ASN 11 Cb 0.46 -1.60 0.00 0.00 -2.36 0.00 0.00 39.78 36.28 1wfq n ASN 11 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1wfq n GLY 12 N 0.60 1.75 2.63 4.83 0.00 -1.26 -5.10 105.19 108.63 1wfq n GLY 12 Ca 0.05 -0.48 -0.37 0.00 0.00 0.00 0.00 46.02 45.22 1wfq n GLY 12 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1wfq n THR 13 N 0.00 1.52 -3.92 2.61 -1.04 -1.26 -4.96 114.28 107.22 1wfq n THR 13 Ca 0.00 -0.38 -0.22 0.00 -2.04 0.00 0.00 64.05 61.42 1wfq n THR 13 Cb 0.00 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.50 1wfq n THR 13 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1wfq n SER 14 N 1.54 2.50 -4.12 8.00 3.41 -1.26 -4.92 113.62 118.77 1wfq n SER 14 Ca 0.14 -2.55 -0.36 0.00 -0.26 0.00 0.00 58.87 55.84 1wfq n SER 14 Cb 0.19 0.01 0.08 0.00 -0.26 0.00 0.00 64.21 64.23 1wfq n SER 14 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wfq n ALA 15 N -2.03 -5.01 -1.24 7.33 0.00 -1.26 -4.91 120.51 113.39 1wfq n ALA 15 Ca -0.14 -1.17 -0.31 0.00 0.00 0.00 0.00 53.44 51.82 1wfq n ALA 15 Cb 0.50 -1.15 0.10 0.00 0.00 0.00 0.00 19.45 18.90 1wfq n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wfq s ALA 16 N -2.10 2.14 -0.14 0.00 0.00 -1.26 -5.04 121.76 115.35 1wfq s ALA 16 Ca 0.44 0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.64 1wfq s ALA 16 Cb -0.04 -3.27 -0.01 0.00 0.00 0.00 0.00 23.12 19.81 1wfq s ALA 16 CO 0.69 -1.87 -0.15 -1.17 0.00 0.00 0.00 175.76 173.26 1wfq s LEU 17 N -5.98 2.55 -0.03 0.00 1.98 -1.26 -5.11 118.68 110.83 1wfq s LEU 17 Ca 0.62 -0.42 -0.23 0.00 -2.89 0.00 0.00 54.13 51.21 1wfq s LEU 17 Cb -0.17 -1.58 -0.04 0.00 0.66 0.00 0.00 46.19 45.06 1wfq s LEU 17 CO 0.56 0.12 0.68 -0.13 -1.89 0.00 0.00 176.35 175.69 1wfq s ARG 18 N 0.62 4.42 0.17 1.98 1.81 -1.26 -4.37 118.95 122.31 1wfq s ARG 18 Ca -0.08 0.87 0.07 0.00 -1.72 0.00 0.00 55.73 54.87 1wfq s ARG 18 Cb -0.16 -3.41 -0.04 0.00 -0.45 0.00 0.00 34.95 30.89 1wfq s ARG 18 CO 0.03 0.17 -0.01 -1.21 -0.68 0.00 0.00 175.30 173.60 1wfq s GLU 19 N 0.42 2.37 0.04 3.54 0.41 0.14 -4.92 118.70 120.69 1wfq s GLU 19 Ca 0.36 -1.11 0.07 0.00 -0.41 0.00 0.00 54.97 53.88 1wfq s GLU 19 Cb -0.18 -2.34 -0.02 0.00 -1.78 0.00 0.00 34.13 29.80 1wfq s GLU 19 CO 0.19 0.46 -0.21 0.95 -0.49 0.00 0.00 175.26 176.16 1wfq s THR 20 N -1.69 1.67 0.00 3.63 -4.23 -1.26 -0.73 115.64 113.03 1wfq s THR 20 Ca 0.27 -1.18 0.00 0.00 -1.18 0.00 0.00 61.69 59.60 1wfq s THR 20 Cb -0.09 -1.44 0.00 0.00 1.34 0.00 0.00 72.50 72.30 1wfq s THR 20 CO 0.18 0.22 0.00 0.61 -0.54 0.00 0.00 174.62 175.09 1wfq n GLY 21 N 1.89 4.74 3.29 3.99 0.00 -1.17 -3.19 105.19 114.74 1wfq n GLY 21 Ca -0.17 -0.54 -0.09 0.00 0.00 0.00 0.00 46.02 45.22 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 1.36 -0.35 -0.76 1.61 0.11 -0.57 -3.98 120.40 117.81 1wfq s VAL 22 Ca 0.00 0.13 -0.24 0.00 -2.93 0.00 0.00 61.98 58.94 1wfq s VAL 22 Cb 0.00 -0.66 -0.16 0.00 -1.53 0.00 0.00 36.38 34.04 1wfq s VAL 22 CO 0.00 0.05 2.40 -0.38 -3.33 0.00 0.00 175.10 173.84 1wfq n ILE 23 N 4.84 -0.02 -0.13 7.04 2.08 -1.17 0.58 119.36 132.59 1wfq n ILE 23 Ca -0.16 -0.54 -0.13 0.00 0.56 0.00 0.00 62.75 62.48 1wfq n ILE 23 Cb 0.52 -1.82 -0.02 0.00 -0.75 0.00 0.00 39.64 37.58 1wfq n ILE 23 CO 0.00 0.00 0.00 -0.08 0.56 0.00 0.00 176.55 177.03 1wfq h GLU 24 N 13.97 0.96 -3.85 0.38 4.57 -1.58 -0.95 114.58 128.07 1wfq h GLU 24 Ca -0.05 -0.48 -0.13 0.00 -1.18 0.00 0.00 59.36 57.52 1wfq h GLU 24 Cb 1.09 0.01 -0.18 0.00 -0.16 0.00 0.00 28.75 29.51 1wfq h GLU 24 CO 1.14 1.14 -0.55 0.21 -1.18 0.00 0.00 179.01 179.77 1wfq s LYS 25 N -4.46 0.56 -0.09 1.92 2.36 -1.06 -4.86 119.74 114.11 1wfq s LYS 25 Ca -0.11 -0.77 -0.07 0.00 -2.55 0.00 0.00 55.97 52.47 1wfq s LYS 25 Cb 0.11 0.22 0.03 0.00 -1.05 0.00 0.00 37.83 37.14 1wfq s LYS 25 CO 0.88 -0.13 0.22 -1.17 1.55 0.00 0.00 175.35 176.70 1wfq s LEU 26 N -2.11 0.94 0.00 5.43 2.96 -1.26 0.61 118.68 125.25 1wfq s LEU 26 Ca -0.05 0.46 0.02 0.00 -0.22 0.00 0.00 54.13 54.33 1wfq s LEU 26 Cb -0.01 0.73 -0.01 0.00 0.50 0.00 0.00 46.19 47.40 1wfq s LEU 26 CO -0.05 -0.10 0.07 0.18 -1.32 0.00 0.00 176.35 175.13 1wfq n LEU 27 N 3.36 0.00 0.06 -0.68 4.32 0.30 -4.95 117.00 119.40 1wfq n LEU 27 Ca -0.17 -1.93 0.13 0.00 -0.02 0.00 0.00 56.01 54.02 1wfq n LEU 27 Cb 0.57 0.53 0.41 0.00 -1.62 0.00 0.00 43.42 43.30 1wfq n LEU 27 CO 0.18 -0.29 0.77 0.41 -1.22 0.00 0.00 177.39 177.23 1wfq n THR 28 N -0.62 0.32 -0.07 -5.08 -1.04 -1.26 -3.97 114.28 102.56 1wfq n THR 28 Ca -0.06 -0.17 -0.09 0.00 -2.04 0.00 0.00 64.05 61.69 1wfq n THR 28 Cb 0.38 -0.39 -0.07 0.00 -1.82 0.00 0.00 70.33 68.43 1wfq n THR 28 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1wfq n SER 29 N -1.94 2.81 -2.79 8.00 2.88 -1.26 -5.04 113.62 116.29 1wfq n SER 29 Ca 0.06 -0.06 -0.08 0.00 -1.33 0.00 0.00 58.87 57.46 1wfq n SER 29 Cb 0.40 -0.01 0.03 0.00 -0.75 0.00 0.00 64.21 63.88 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 -2.79 -2.16 -3.84 0.66 0.18 -1.25 -3.23 117.16 104.72 1wfq n TYR 30 Ca -0.23 -1.70 -0.09 0.00 1.88 0.00 0.00 57.90 57.76 1wfq n TYR 30 Cb 0.78 0.85 -0.07 0.00 -0.38 0.00 0.00 39.34 40.51 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 -3.05 0.05 0.02 -7.48 0.00 0.07 0.11 107.32 97.04 1wfq s GLY 31 Ca 0.16 -0.49 0.01 0.00 0.00 0.00 0.00 44.72 44.40 1wfq s GLY 31 CO 0.10 -0.68 0.07 -1.36 0.00 0.00 0.00 173.10 171.23 1wfq s PHE 32 N -3.55 3.24 -0.21 1.90 0.40 0.20 -0.01 117.98 119.95 1wfq s PHE 32 Ca 0.02 0.15 0.00 0.00 -0.60 0.00 0.00 56.93 56.51 1wfq s PHE 32 Cb 0.03 -1.69 0.05 0.00 0.51 0.00 0.00 43.02 41.92 1wfq s PHE 32 CO -0.09 0.53 -0.06 0.42 0.70 0.00 0.00 175.22 176.72 1wfq s ILE 33 N -1.25 1.46 -0.69 0.64 1.01 0.14 -1.45 121.20 121.07 1wfq s ILE 33 Ca 0.25 -1.06 -0.27 0.00 0.00 0.00 0.00 60.65 59.56 1wfq s ILE 33 Cb -0.12 -1.68 0.02 0.00 0.01 0.00 0.00 42.46 40.70 1wfq s ILE 33 CO 0.16 -0.01 1.32 -1.58 0.00 0.00 0.00 174.94 174.83 1wfq s GLN 34 N 1.45 3.22 0.23 2.79 2.00 0.20 0.24 119.66 129.79 1wfq s GLN 34 Ca -0.04 -0.03 -0.30 0.00 -2.00 0.00 0.00 55.36 52.99 1wfq s GLN 34 Cb -0.18 -4.16 -0.15 0.00 0.80 0.00 0.00 33.01 29.32 1wfq s GLN 34 CO -0.07 -2.09 1.06 0.00 -0.50 0.00 0.00 175.29 173.69 1wfq n SER 36 N 1.63 3.28 -0.02 0.00 2.88 -1.19 -3.06 113.62 117.14 1wfq n SER 36 Ca 0.12 -1.94 -0.03 0.00 -1.33 0.00 0.00 58.87 55.69 1wfq n SER 36 Cb 0.28 -0.26 -0.02 0.00 -0.75 0.00 0.00 64.21 63.47 1wfq n SER 36 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1wfq n GLU 37 N 1.25 0.10 -0.00 -1.46 1.02 -1.26 -4.73 120.64 115.56 1wfq n GLU 37 Ca 0.17 0.03 0.10 0.00 -0.02 0.00 0.00 57.16 57.44 1wfq n GLU 37 Cb 0.54 -1.00 -0.14 0.00 -0.02 0.00 0.00 31.44 30.83 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 -2.74 0.23 -3.22 3.49 1.85 -1.26 -5.00 116.66 110.01 1wfq n ARG 38 Ca -0.08 -0.07 -0.15 0.00 -1.00 0.00 0.00 57.85 56.55 1wfq n ARG 38 Cb 0.58 -1.51 0.07 0.00 -1.05 0.00 0.00 32.46 30.55 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 -1.77 -5.67 -4.41 2.89 6.02 -1.17 -5.03 117.38 108.24 1wfq n GLN 39 Ca 0.01 0.68 -0.21 0.00 -0.01 0.00 0.00 57.00 57.47 1wfq n GLN 39 Cb 0.41 -5.21 -0.16 0.00 1.02 0.00 0.00 30.24 26.30 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 -3.28 0.93 -0.54 -1.58 0.00 -1.25 -4.93 121.76 111.11 1wfq s ALA 40 Ca 0.14 -0.32 -0.28 0.00 0.00 0.00 0.00 51.96 51.51 1wfq s ALA 40 Cb -0.06 -0.39 0.00 0.00 0.00 0.00 0.00 23.12 22.68 1wfq s ALA 40 CO 0.59 0.12 1.52 1.03 0.00 0.00 0.00 175.76 179.02 1wfq s ARG 41 N 0.38 3.20 0.59 0.00 0.52 -1.26 -0.81 118.95 121.57 1wfq s ARG 41 Ca -0.07 0.59 -0.05 0.00 -0.52 0.00 0.00 55.73 55.69 1wfq s ARG 41 Cb -0.11 -4.17 0.02 0.00 0.52 0.00 0.00 34.95 31.21 1wfq s ARG 41 CO 0.01 -2.05 0.88 -0.51 0.02 0.00 0.00 175.30 173.66 1wfq s LEU 42 N 6.60 3.21 -0.26 2.53 1.43 0.14 -4.89 118.68 127.44 1wfq s LEU 42 Ca 0.58 0.57 0.02 0.00 -1.03 0.00 0.00 54.13 54.26 1wfq s LEU 42 Cb -0.12 -3.37 0.07 0.00 0.03 0.00 0.00 46.19 42.79 1wfq s LEU 42 CO 0.25 -1.12 -0.03 0.12 0.23 0.00 0.00 176.35 175.81 1wfq s PHE 43 N -2.97 2.70 -0.08 0.29 5.36 -1.26 -0.68 117.98 121.35 1wfq s PHE 43 Ca 0.55 -2.06 -0.03 0.00 -0.96 0.00 0.00 56.93 54.42 1wfq s PHE 43 Cb -0.10 -1.88 -0.04 0.00 -0.34 0.00 0.00 43.02 40.66 1wfq s PHE 43 CO 0.44 -0.83 0.08 -0.59 -1.46 0.00 0.00 175.22 172.85 1wfq s PHE 44 N 1.29 3.37 -0.00 10.12 -0.12 0.99 -2.93 117.98 130.70 1wfq s PHE 44 Ca -0.02 0.33 -0.10 0.00 -0.05 0.00 0.00 56.93 57.09 1wfq s PHE 44 Cb -0.19 -1.83 -0.05 0.00 -0.63 0.00 0.00 43.02 40.32 1wfq s PHE 44 CO -0.08 0.59 0.32 -1.58 -0.05 0.00 0.00 175.22 174.43 1wfq s HIS 45 N -1.03 3.63 -0.03 3.49 5.65 -1.26 -0.75 115.29 124.98 1wfq s HIS 45 Ca 0.17 0.76 0.15 0.00 0.25 0.00 0.00 55.06 56.39 1wfq s HIS 45 Cb -0.12 -2.12 0.84 0.00 -1.18 0.00 0.00 32.58 30.00 1wfq s HIS 45 CO 0.06 0.62 1.39 0.00 -0.65 0.00 0.00 174.74 176.17 1wfq h SER 47 N 0.00 0.09 -0.03 0.00 0.87 -1.92 -3.33 113.55 109.22 1wfq h SER 47 Ca 0.00 -0.10 -0.00 0.00 -1.23 0.00 0.00 61.79 60.46 1wfq h SER 47 Cb 0.44 -0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 62.37 1wfq h SER 47 CO 0.00 1.08 0.01 1.56 -0.53 0.00 0.00 176.83 178.95 1wfq h GLN 48 N 0.01 0.04 -6.39 2.24 1.08 -0.59 -3.44 115.11 108.07 1wfq h GLN 48 Ca -0.08 -0.01 -0.63 0.00 -1.45 0.00 0.00 58.65 56.49 1wfq h GLN 48 Cb 1.84 -0.01 0.06 0.00 -0.05 0.00 0.00 27.48 29.32 1wfq h GLN 48 CO 0.14 0.22 0.64 0.98 -0.95 0.00 0.00 178.83 179.85 1wfq n TYR 49 N -4.97 1.92 0.11 2.96 9.36 -1.22 -2.30 117.16 123.02 1wfq n TYR 49 Ca -0.07 0.44 -0.24 0.00 3.32 0.00 0.00 57.90 61.35 1wfq n TYR 49 Cb 0.12 -2.44 -0.15 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 5.30 0.73 0.00 2.98 -1.24 -1.68 -3.46 115.58 118.21 1wfq h ASN 50 Ca -0.46 -0.93 0.00 0.00 0.71 0.00 0.00 56.30 55.62 1wfq h ASN 50 Cb 1.29 -0.24 0.00 0.00 0.73 0.00 0.00 38.32 40.11 1wfq h ASN 50 CO 0.84 1.67 0.00 0.61 -1.29 0.00 0.00 177.43 179.26 1wfq n GLY 51 N 1.74 -1.73 3.02 1.57 0.00 -1.26 -5.00 105.19 103.53 1wfq n GLY 51 Ca -0.18 -1.06 -0.31 0.00 0.00 0.00 0.00 46.02 44.46 1wfq n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wfq s ASN 52 N -1.59 4.24 0.25 1.61 4.22 -1.26 -4.99 114.94 117.42 1wfq s ASN 52 Ca 0.00 -1.34 0.09 0.00 -2.14 0.00 0.00 52.86 49.47 1wfq s ASN 52 Cb 0.00 -1.42 0.78 0.00 1.28 0.00 0.00 41.25 41.90 1wfq s ASN 52 CO 0.00 -0.21 1.13 0.18 -2.04 0.00 0.00 177.10 176.16 1wfq n LEU 53 N 4.51 0.10 -0.30 3.54 7.99 -1.26 0.11 117.00 131.69 1wfq n LEU 53 Ca -0.13 1.21 0.04 0.00 -0.01 0.00 0.00 56.01 57.11 1wfq n LEU 53 Cb 0.43 -0.52 0.11 0.00 -0.11 0.00 0.00 43.42 43.33 1wfq n LEU 53 CO 0.20 -1.29 0.69 1.56 -1.51 0.00 0.00 177.39 177.04 1wfq h GLN 54 N 0.00 0.00 -0.41 3.23 1.08 -2.00 0.57 115.11 117.58 1wfq h GLN 54 Ca 0.53 -0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.64 1wfq h GLN 54 Cb 1.30 -0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.71 1wfq h GLN 54 CO -0.61 0.00 -0.14 0.22 -0.95 0.00 0.00 178.83 177.36 1wfq h ASP 55 N 0.00 0.73 -3.95 1.46 3.58 0.33 -3.43 116.42 115.13 1wfq h ASP 55 Ca 0.41 -0.22 -0.51 0.00 0.42 0.00 0.00 57.03 57.12 1wfq h ASP 55 Cb 0.63 -0.20 0.07 0.00 1.72 0.00 0.00 39.33 41.55 1wfq h ASP 55 CO -0.88 0.88 0.54 -0.22 -2.88 0.00 0.00 179.24 176.68 1wfq s LEU 56 N -8.97 4.16 0.21 2.28 2.96 0.20 -5.04 118.68 114.47 1wfq s LEU 56 Ca -0.09 2.45 -0.05 0.00 -0.22 0.00 0.00 54.13 56.22 1wfq s LEU 56 Cb 0.14 -4.02 -0.03 0.00 0.50 0.00 0.00 46.19 42.78 1wfq s LEU 56 CO 0.82 -0.80 0.24 -1.59 -1.32 0.00 0.00 176.35 173.70 1wfq s LYS 57 N -2.35 1.28 -0.34 1.98 0.00 -1.26 -4.92 119.74 114.13 1wfq s LYS 57 Ca 0.58 -1.47 -0.29 0.00 0.00 0.00 0.00 55.97 54.80 1wfq s LYS 57 Cb -0.33 0.33 0.02 0.00 0.00 0.00 0.00 37.83 37.85 1wfq s LYS 57 CO 0.41 -0.46 1.06 0.08 0.00 0.00 0.00 175.35 176.44 1wfq s VAL 58 N -4.10 4.50 0.00 1.79 1.01 -1.26 -3.53 120.40 118.81 1wfq s VAL 58 Ca 0.32 1.63 0.00 0.00 0.00 0.00 0.00 61.98 63.92 1wfq s VAL 58 Cb 0.05 -4.42 0.00 0.00 0.00 0.00 0.00 36.38 32.01 1wfq s VAL 58 CO 0.10 -0.52 0.00 0.61 0.00 0.00 0.00 175.10 175.28 1wfq n GLY 59 N 4.01 1.61 3.44 4.51 0.00 -0.36 -4.99 105.19 113.40 1wfq n GLY 59 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 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 3.71 0.32 1.61 1.01 -1.23 -4.90 116.67 115.19 1wfq s ASP 60 Ca 0.00 -0.45 -0.28 0.00 0.71 0.00 0.00 52.55 52.52 1wfq s ASP 60 Cb 0.00 -0.56 -0.09 0.00 1.01 0.00 0.00 42.92 43.27 1wfq s ASP 60 CO 0.00 0.25 1.14 -1.81 0.21 0.00 0.00 175.17 174.96 1wfq s ASP 61 N -1.43 7.02 -0.07 0.27 1.11 -1.26 -3.03 116.67 119.27 1wfq s ASP 61 Ca 0.14 2.32 -0.17 0.00 0.18 0.00 0.00 52.55 55.02 1wfq s ASP 61 Cb -0.10 -2.62 0.04 0.00 1.07 0.00 0.00 42.92 41.30 1wfq s ASP 61 CO 0.05 -0.32 0.41 0.68 1.18 0.00 0.00 175.17 177.16 1wfq s VAL 62 N -1.25 0.03 -0.14 -1.27 -7.23 -1.26 -3.64 120.40 105.65 1wfq s VAL 62 Ca 0.48 -0.23 -0.06 0.00 -1.81 0.00 0.00 61.98 60.36 1wfq s VAL 62 Cb -0.32 -0.67 -0.04 0.00 0.56 0.00 0.00 36.38 35.92 1wfq s VAL 62 CO 0.41 -0.13 0.08 -0.70 -0.31 0.00 0.00 175.10 174.45 1wfq s GLU 63 N -0.75 3.55 0.31 4.82 2.12 1.00 -3.02 118.70 126.74 1wfq s GLU 63 Ca -0.08 -0.27 -0.02 0.00 0.36 0.00 0.00 54.97 54.96 1wfq s GLU 63 Cb -0.04 -3.12 -0.01 0.00 0.26 0.00 0.00 34.13 31.22 1wfq s GLU 63 CO 0.04 0.57 0.40 -0.59 -0.54 0.00 0.00 175.26 175.14 1wfq s PHE 64 N -0.46 1.13 -0.21 5.30 -0.71 0.09 0.27 117.98 123.39 1wfq s PHE 64 Ca 0.10 -1.31 0.02 0.00 -1.04 0.00 0.00 56.93 54.70 1wfq s PHE 64 Cb -0.12 -0.22 0.04 0.00 -1.21 0.00 0.00 43.02 41.51 1wfq s PHE 64 CO 0.02 -1.02 -0.14 -2.00 -1.34 0.00 0.00 175.22 170.74 1wfq s GLU 65 N -3.35 2.42 -0.08 1.99 2.12 -0.80 0.24 118.70 121.24 1wfq s GLU 65 Ca 0.32 -0.98 -0.30 0.00 0.36 0.00 0.00 54.97 54.38 1wfq s GLU 65 Cb 0.01 -2.59 -0.04 0.00 0.26 0.00 0.00 34.13 31.76 1wfq s GLU 65 CO 0.19 -0.39 1.51 0.08 -0.54 0.00 0.00 175.26 176.12 1wfq s VAL 66 N 1.28 3.79 0.43 3.70 1.01 -1.26 -2.24 120.40 127.12 1wfq s VAL 66 Ca -0.01 0.99 0.03 0.00 0.00 0.00 0.00 61.98 62.99 1wfq s VAL 66 Cb -0.16 -3.64 -0.02 0.00 0.00 0.00 0.00 36.38 32.56 1wfq s VAL 66 CO -0.09 -0.08 0.12 -0.55 0.00 0.00 0.00 175.10 174.50 1wfq s SER 67 N 2.78 3.04 -0.18 3.32 0.15 -0.06 -4.95 113.70 117.80 1wfq s SER 67 Ca 0.67 -1.69 -0.04 0.00 0.70 0.00 0.00 55.95 55.59 1wfq s SER 67 Cb -0.30 0.55 -0.02 0.00 -1.71 0.00 0.00 66.02 64.54 1wfq s SER 67 CO 0.25 -0.94 -0.04 -0.94 1.20 0.00 0.00 173.24 172.77 1wfq s SER 68 N -3.66 4.63 1.02 5.45 1.04 -1.26 -1.17 113.70 119.75 1wfq s SER 68 Ca 0.20 -0.22 -0.11 0.00 0.48 0.00 0.00 55.95 56.30 1wfq s SER 68 Cb 0.02 -1.77 0.20 0.00 0.10 0.00 0.00 66.02 64.57 1wfq s SER 68 CO 0.13 0.10 1.10 -0.62 0.98 0.00 0.00 173.24 174.93 1wfq s ASP 69 N 0.78 2.11 0.00 7.02 2.15 -0.84 -4.86 116.67 123.01 1wfq s ASP 69 Ca -0.01 1.95 0.24 0.00 0.43 0.00 0.00 52.55 55.16 1wfq s ASP 69 Cb -0.14 -2.48 0.27 0.00 -0.30 0.00 0.00 42.92 40.26 1wfq s ASP 69 CO 0.02 -3.57 1.31 0.54 -0.17 0.00 0.00 175.17 173.29 1wfq n ARG 70 N -4.53 2.32 0.02 4.34 5.12 -1.26 -3.05 116.66 119.62 1wfq n ARG 70 Ca 0.08 -1.92 -0.02 0.00 -1.93 0.00 0.00 57.85 54.06 1wfq n ARG 70 Cb 0.53 -1.47 -0.01 0.00 -1.16 0.00 0.00 32.46 30.35 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 1.30 0.10 0.00 5.56 5.12 -1.26 -4.80 116.66 122.68 1wfq n ARG 71 Ca 0.15 0.04 0.10 0.00 -1.93 0.00 0.00 57.85 56.21 1wfq n ARG 71 Cb 0.59 -0.67 -0.06 0.00 -1.16 0.00 0.00 32.46 31.15 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 -3.59 0.00 -1.32 0.55 -2.24 -1.26 -4.95 114.28 101.47 1wfq n THR 72 Ca -0.04 -0.06 -0.12 0.00 -2.27 0.00 0.00 64.05 61.57 1wfq n THR 72 Cb 0.18 1.00 -0.05 0.00 -2.10 0.00 0.00 70.33 69.36 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 1.48 1.11 3.82 3.38 0.00 -1.17 -4.91 105.19 108.90 1wfq n GLY 73 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.94 3.94 -0.55 1.61 -0.14 -1.26 -4.25 119.74 116.14 1wfq s LYS 74 Ca 0.00 1.10 -0.27 0.00 -1.36 0.00 0.00 55.97 55.44 1wfq s LYS 74 Cb 0.00 -2.13 -0.02 0.00 -1.68 0.00 0.00 37.83 34.00 1wfq s LYS 74 CO 0.00 -0.28 1.82 -1.25 -0.76 0.00 0.00 175.35 174.88 1wfq s PRO 75 N -3.65 2.80 0.29 -1.68 0.04 -1.26 -1.99 135.00 129.56 1wfq s PRO 75 Ca 0.62 0.77 0.09 0.00 0.04 0.00 0.00 61.00 62.52 1wfq s PRO 75 Cb -0.11 -4.34 -0.04 0.00 0.04 0.00 0.00 34.50 30.05 1wfq s PRO 75 CO 0.24 -2.52 0.02 0.96 0.04 0.00 0.00 177.00 175.74 1wfq s ILE 76 N 8.50 3.23 0.10 0.56 -4.36 -0.31 -4.61 121.20 124.30 1wfq s ILE 76 Ca 0.69 -1.90 -0.14 0.00 -0.26 0.00 0.00 60.65 59.04 1wfq s ILE 76 Cb -0.14 -2.84 -0.06 0.00 1.25 0.00 0.00 42.46 40.66 1wfq s ILE 76 CO 0.24 -0.32 0.51 0.00 0.24 0.00 0.00 174.94 175.60 1wfq s ALA 77 N -2.38 3.62 0.12 2.27 0.00 -1.15 -0.88 121.76 123.36 1wfq s ALA 77 Ca 0.33 -0.16 -0.05 0.00 0.00 0.00 0.00 51.96 52.08 1wfq s ALA 77 Cb -0.05 -2.48 -0.02 0.00 0.00 0.00 0.00 23.12 20.57 1wfq s ALA 77 CO 0.20 0.47 0.13 0.14 0.00 0.00 0.00 175.76 176.70 1wfq s VAL 78 N -1.33 0.12 -1.48 0.00 -7.23 -0.95 -4.34 120.40 105.19 1wfq s VAL 78 Ca 0.33 -1.58 -0.02 0.00 -1.81 0.00 0.00 61.98 58.90 1wfq s VAL 78 Cb -0.16 -1.73 0.02 0.00 0.56 0.00 0.00 36.38 35.07 1wfq s VAL 78 CO 0.18 -0.56 0.33 0.29 -0.31 0.00 0.00 175.10 175.03 1wfq n LYS 79 N -0.08 -2.57 -1.70 4.82 4.76 -1.24 -1.91 118.16 120.25 1wfq n LYS 79 Ca -0.10 0.31 -0.36 0.00 -2.87 0.00 0.00 58.31 55.29 1wfq n LYS 79 Cb 0.63 -4.30 0.07 0.00 -1.84 0.00 0.00 35.03 29.58 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 -7.11 3.50 -0.29 -0.35 2.96 -0.97 -4.54 118.68 111.87 1wfq s LEU 80 Ca 0.07 2.44 -0.12 0.00 -0.22 0.00 0.00 54.13 56.29 1wfq s LEU 80 Cb -0.04 -4.60 0.11 0.00 0.50 0.00 0.00 46.19 42.16 1wfq s LEU 80 CO 0.93 -1.98 0.66 0.54 -1.32 0.00 0.00 176.35 175.18 1wfq s VAL 81 N -1.70 -0.60 0.20 1.68 0.11 0.14 -1.98 120.40 118.25 1wfq s VAL 81 Ca 0.78 0.00 -0.32 0.00 -2.93 0.00 0.00 61.98 59.51 1wfq s VAL 81 Cb -0.32 -0.99 -0.12 0.00 -1.53 0.00 0.00 36.38 33.42 1wfq s VAL 81 CO 0.40 0.00 1.74 1.17 -3.33 0.00 0.00 175.10 175.08 1wfq n LYS 82 N 5.00 2.79 0.25 1.54 4.81 -1.26 -0.00 118.16 131.29 1wfq n LYS 82 Ca -0.15 1.01 -0.10 0.00 -0.87 0.00 0.00 58.31 58.19 1wfq n LYS 82 Cb 0.53 -2.86 -0.05 0.00 0.02 0.00 0.00 35.03 32.67 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 3.91 0.00 -3.59 3.15 2.04 -1.89 -3.42 117.51 117.72 1wfq h ILE 83 Ca -0.43 -0.23 -0.62 0.00 1.00 0.00 0.00 64.86 64.57 1wfq h ILE 83 Cb 1.20 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 37.15 1wfq h ILE 83 CO 0.96 0.00 0.00 -0.55 0.00 0.00 0.00 178.15 178.56 1wfq s SER 84 N -3.88 6.41 0.00 1.72 0.15 -1.26 -4.90 113.70 111.95 1wfq s SER 84 Ca -0.10 0.37 0.00 0.00 0.70 0.00 0.00 55.95 56.92 1wfq s SER 84 Cb 0.01 -2.28 0.00 0.00 -1.71 0.00 0.00 66.02 62.04 1wfq s SER 84 CO 0.29 -0.36 0.00 0.61 1.20 0.00 0.00 173.24 174.98 1wfq n GLY 85 N 4.50 0.30 3.77 9.45 0.00 -1.26 -5.07 105.19 116.88 1wfq n GLY 85 Ca -0.04 0.37 -0.36 0.00 0.00 0.00 0.00 46.02 45.99 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 3.62 -0.64 1.61 0.04 -1.26 -5.00 135.00 133.37 1wfq s PRO 86 Ca 0.00 1.72 -0.15 0.00 0.04 0.00 0.00 61.00 62.60 1wfq s PRO 86 Cb 0.00 -2.27 0.16 0.00 0.04 0.00 0.00 34.50 32.43 1wfq s PRO 86 CO 0.00 -0.65 0.60 0.45 0.04 0.00 0.00 177.00 177.44 1wfq s SER 87 N -1.50 6.39 -0.87 6.66 0.15 -1.26 -4.99 113.70 118.28 1wfq s SER 87 Ca 0.67 -2.08 -0.25 0.00 0.70 0.00 0.00 55.95 54.98 1wfq s SER 87 Cb -0.27 -2.21 -0.17 0.00 -1.71 0.00 0.00 66.02 61.65 1wfq s SER 87 CO 0.32 -0.77 2.31 -0.24 1.20 0.00 0.00 173.24 176.06 1wfq n SER 88 N 4.86 1.50 0.00 5.45 2.88 -1.26 -5.35 113.62 121.70 1wfq n SER 88 Ca -0.04 -1.72 0.00 0.00 -1.33 0.00 0.00 58.87 55.77 1wfq n SER 88 Cb 0.42 -1.63 0.00 0.00 -0.75 0.00 0.00 64.21 62.26 1wfq n SER 88 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42