#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 4.09 0.14 1.61 0.01 -1.26 -5.09 113.70 113.20 1wfq s SER 2 Ca 0.00 -0.82 -0.19 0.00 1.31 0.00 0.00 55.95 56.25 1wfq s SER 2 Cb 0.00 -1.63 0.05 0.00 0.21 0.00 0.00 66.02 64.65 1wfq s SER 2 CO 0.00 -0.10 0.48 -0.44 0.41 0.00 0.00 173.24 173.59 1wfq s SER 3 N 1.32 -0.37 -0.42 2.44 0.01 -1.26 -5.14 113.70 110.28 1wfq s SER 3 Ca 0.01 -0.18 0.07 0.00 1.31 0.00 0.00 55.95 57.16 1wfq s SER 3 Cb -0.16 0.52 0.18 0.00 0.21 0.00 0.00 66.02 66.77 1wfq s SER 3 CO -0.06 -0.89 0.61 -0.83 0.41 0.00 0.00 173.24 172.48 1wfq s GLY 4 N -2.76 -1.08 -0.49 3.44 0.00 -1.26 -4.81 107.32 100.36 1wfq s GLY 4 Ca 0.02 -0.07 -0.02 0.00 0.00 0.00 0.00 44.72 44.65 1wfq s GLY 4 CO -0.12 3.53 2.13 -1.14 0.00 0.00 0.00 173.10 177.50 1wfq n SER 5 N 4.14 6.97 -4.00 1.64 3.41 -1.26 -4.90 113.62 119.62 1wfq n SER 5 Ca 0.12 -3.38 -0.09 0.00 -0.26 0.00 0.00 58.87 55.26 1wfq n SER 5 Cb 0.55 -1.06 -0.06 0.00 -0.26 0.00 0.00 64.21 63.39 1wfq n SER 5 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1wfq s SER 6 N -0.56 -0.06 -1.45 4.04 1.04 -1.26 -5.06 113.70 110.38 1wfq s SER 6 Ca 0.48 -0.94 -0.11 0.00 0.48 0.00 0.00 55.95 55.85 1wfq s SER 6 Cb 0.37 0.55 0.04 0.00 0.10 0.00 0.00 66.02 67.07 1wfq s SER 6 CO -0.06 -1.08 2.39 0.61 0.98 0.00 0.00 173.24 176.07 1wfq n GLY 7 N -0.35 4.56 2.87 7.32 0.00 -1.26 -4.64 105.19 113.69 1wfq n GLY 7 Ca -0.02 -1.73 0.02 0.00 0.00 0.00 0.00 46.02 44.29 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 2.04 -1.43 0.04 -0.02 0.00 -1.26 -5.17 107.32 101.53 1wfq s GLY 8 Ca 0.53 1.32 0.01 0.00 0.00 0.00 0.00 44.72 46.57 1wfq s GLY 8 CO -0.06 4.22 -0.05 -2.52 0.00 0.00 0.00 173.10 174.69 1wfq s TYR 9 N 2.12 0.53 0.15 1.90 -0.85 -1.26 -3.30 117.35 116.63 1wfq s TYR 9 Ca 0.17 -0.70 -0.31 0.00 -0.52 0.00 0.00 57.07 55.71 1wfq s TYR 9 Cb 0.02 -0.34 -0.08 0.00 0.38 0.00 0.00 41.96 41.93 1wfq s TYR 9 CO -0.16 -0.20 1.33 -1.25 -1.52 0.00 0.00 175.55 173.76 1wfq s PRO 10 N -2.41 4.36 0.05 -3.49 0.04 -1.26 -5.07 135.00 127.22 1wfq s PRO 10 Ca -0.05 2.04 -0.38 0.00 0.04 0.00 0.00 61.00 62.65 1wfq s PRO 10 Cb -0.04 -3.23 -0.17 0.00 0.04 0.00 0.00 34.50 31.10 1wfq s PRO 10 CO -0.03 -0.33 1.29 -1.71 0.04 0.00 0.00 177.00 176.26 1wfq n ASN 11 N 3.31 1.28 -1.98 6.66 5.15 -1.21 -4.22 115.26 124.26 1wfq n ASN 11 Ca 0.09 1.13 0.00 0.00 -0.60 0.00 0.00 54.58 55.19 1wfq n ASN 11 Cb 0.43 -1.12 0.00 0.00 -0.53 0.00 0.00 39.78 38.55 1wfq n ASN 11 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1wfq n GLY 12 N 2.34 -5.15 3.38 8.20 0.00 -1.26 -4.89 105.19 107.81 1wfq n GLY 12 Ca 0.19 -0.13 -0.45 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.45 4.78 -0.11 2.61 -4.23 -1.26 -5.00 115.64 111.97 1wfq s THR 13 Ca 0.00 -0.93 -0.07 0.00 -1.18 0.00 0.00 61.69 59.51 1wfq s THR 13 Cb 0.00 -4.50 0.04 0.00 1.34 0.00 0.00 72.50 69.38 1wfq s THR 13 CO 0.00 -1.15 0.27 -0.44 -0.54 0.00 0.00 174.62 172.76 1wfq s SER 14 N 3.61 -0.29 0.33 3.99 0.01 -1.26 -5.17 113.70 114.92 1wfq s SER 14 Ca 0.12 0.57 0.08 0.00 1.31 0.00 0.00 55.95 58.03 1wfq s SER 14 Cb -0.23 0.48 -0.04 0.00 0.21 0.00 0.00 66.02 66.43 1wfq s SER 14 CO 0.07 -0.15 0.15 0.00 0.41 0.00 0.00 173.24 173.72 1wfq s ALA 15 N 1.00 3.52 0.05 1.44 0.00 -1.26 -5.14 121.76 121.37 1wfq s ALA 15 Ca -0.07 -1.79 0.06 0.00 0.00 0.00 0.00 51.96 50.17 1wfq s ALA 15 Cb -0.08 -0.80 -0.03 0.00 0.00 0.00 0.00 23.12 22.21 1wfq s ALA 15 CO -0.07 0.05 -0.18 0.00 0.00 0.00 0.00 175.76 175.56 1wfq s ALA 16 N -2.40 1.54 -0.40 0.00 0.00 -1.26 -5.11 121.76 114.14 1wfq s ALA 16 Ca 0.38 -1.00 -0.20 0.00 0.00 0.00 0.00 51.96 51.14 1wfq s ALA 16 Cb -0.03 -0.27 0.01 0.00 0.00 0.00 0.00 23.12 22.83 1wfq s ALA 16 CO 0.23 0.32 0.59 -1.17 0.00 0.00 0.00 175.76 175.73 1wfq s LEU 17 N -1.26 4.45 -0.23 0.00 1.98 -1.26 -5.04 118.68 117.31 1wfq s LEU 17 Ca 0.05 -0.19 -0.10 0.00 -2.89 0.00 0.00 54.13 51.00 1wfq s LEU 17 Cb -0.09 -2.67 -0.05 0.00 0.66 0.00 0.00 46.19 44.04 1wfq s LEU 17 CO 0.02 -0.65 0.13 -0.13 -1.89 0.00 0.00 176.35 173.83 1wfq s ARG 18 N 2.63 4.03 0.11 1.98 1.81 -1.26 -4.31 118.95 123.94 1wfq s ARG 18 Ca 0.21 -0.29 0.02 0.00 -1.72 0.00 0.00 55.73 53.95 1wfq s ARG 18 Cb -0.15 -3.45 -0.04 0.00 -0.45 0.00 0.00 34.95 30.86 1wfq s ARG 18 CO 0.16 0.10 0.20 -1.21 -0.68 0.00 0.00 175.30 173.87 1wfq s GLU 19 N 0.91 3.25 -0.02 3.54 0.41 0.25 -4.90 118.70 122.13 1wfq s GLU 19 Ca 0.07 -0.61 0.06 0.00 -0.41 0.00 0.00 54.97 54.08 1wfq s GLU 19 Cb -0.13 -2.89 -0.01 0.00 -1.78 0.00 0.00 34.13 29.31 1wfq s GLU 19 CO 0.03 0.55 -0.20 0.95 -0.49 0.00 0.00 175.26 176.10 1wfq s THR 20 N -1.61 1.61 0.00 3.63 -4.23 -1.26 -0.49 115.64 113.29 1wfq s THR 20 Ca 0.33 -0.86 0.00 0.00 -1.18 0.00 0.00 61.69 59.98 1wfq s THR 20 Cb -0.12 -1.34 0.00 0.00 1.34 0.00 0.00 72.50 72.38 1wfq s THR 20 CO 0.26 0.46 0.00 0.61 -0.54 0.00 0.00 174.62 175.41 1wfq n GLY 21 N 2.65 4.47 3.31 3.99 0.00 -1.13 -3.40 105.19 115.08 1wfq n GLY 21 Ca -0.16 -0.47 -0.15 0.00 0.00 0.00 0.00 46.02 45.25 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 2.12 0.04 -0.92 1.61 0.11 -0.68 -3.82 120.40 118.86 1wfq s VAL 22 Ca 0.00 -0.34 -0.24 0.00 -2.93 0.00 0.00 61.98 58.47 1wfq s VAL 22 Cb 0.00 -0.71 0.04 0.00 -1.53 0.00 0.00 36.38 34.18 1wfq s VAL 22 CO 0.00 -0.18 1.39 -0.63 -3.33 0.00 0.00 175.10 172.35 1wfq s ILE 23 N -1.24 3.84 0.05 7.04 -1.09 -1.22 0.17 121.20 128.76 1wfq s ILE 23 Ca -0.12 -0.33 -0.20 0.00 -2.23 0.00 0.00 60.65 57.77 1wfq s ILE 23 Cb -0.04 -5.00 -0.13 0.00 -1.58 0.00 0.00 42.46 35.71 1wfq s ILE 23 CO 0.06 -1.90 1.39 -0.08 -1.23 0.00 0.00 174.94 173.18 1wfq h GLU 24 N 9.91 0.35 -4.04 2.79 4.81 -1.71 -0.42 114.58 126.28 1wfq h GLU 24 Ca 0.02 -0.16 -0.15 0.00 -0.13 0.00 0.00 59.36 58.94 1wfq h GLU 24 Cb 1.03 -0.01 -0.19 0.00 0.63 0.00 0.00 28.75 30.21 1wfq h GLU 24 CO 1.37 0.68 -0.68 0.21 -0.73 0.00 0.00 179.01 179.87 1wfq s LYS 25 N -4.51 0.41 -0.05 1.92 2.36 -1.11 -4.82 119.74 113.95 1wfq s LYS 25 Ca -0.14 -0.79 -0.04 0.00 -2.55 0.00 0.00 55.97 52.45 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 0.75 -0.07 0.12 -1.17 1.55 0.00 0.00 175.35 176.53 1wfq s LEU 26 N -1.91 1.40 0.00 5.43 2.96 -1.26 0.77 118.68 126.06 1wfq s LEU 26 Ca -0.09 0.25 0.02 0.00 -0.22 0.00 0.00 54.13 54.09 1wfq s LEU 26 Cb -0.04 0.40 -0.01 0.00 0.50 0.00 0.00 46.19 47.04 1wfq s LEU 26 CO -0.04 -0.06 0.06 0.18 -1.32 0.00 0.00 176.35 175.17 1wfq n LEU 27 N 3.23 0.00 0.10 -0.68 4.32 0.24 -4.95 117.00 119.26 1wfq n LEU 27 Ca -0.15 -1.48 -0.03 0.00 -0.02 0.00 0.00 56.01 54.33 1wfq n LEU 27 Cb 0.58 0.46 -0.02 0.00 -1.62 0.00 0.00 43.42 42.82 1wfq n LEU 27 CO 0.21 -0.23 0.30 0.74 -1.22 0.00 0.00 177.39 177.20 1wfq h THR 28 N 1.30 1.43 0.06 -5.08 2.02 -2.04 -3.35 112.91 107.25 1wfq h THR 28 Ca -0.16 -2.85 -0.33 0.00 0.77 0.00 0.00 66.41 63.85 1wfq h THR 28 Cb 0.58 2.60 -0.03 0.00 -1.74 0.00 0.00 68.15 69.55 1wfq h THR 28 CO 0.25 0.78 -1.82 -1.20 0.37 0.00 0.00 175.52 173.90 1wfq n SER 29 N -3.39 2.00 -1.92 4.18 7.64 -1.26 -4.99 113.62 115.87 1wfq n SER 29 Ca 0.00 0.27 -0.05 0.00 1.01 0.00 0.00 58.87 60.11 1wfq n SER 29 Cb 0.82 -0.86 0.01 0.00 -1.01 0.00 0.00 64.21 63.17 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 -3.90 -1.63 -3.83 1.43 0.18 -1.26 -3.04 117.16 105.11 1wfq n TYR 30 Ca -0.35 -0.97 -0.09 0.00 1.88 0.00 0.00 57.90 58.36 1wfq n TYR 30 Cb 0.89 0.45 -0.06 0.00 -0.38 0.00 0.00 39.34 40.24 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 -2.06 0.10 0.06 -7.48 0.00 -0.26 0.83 107.32 98.51 1wfq s GLY 31 Ca 0.09 -0.55 0.01 0.00 0.00 0.00 0.00 44.72 44.27 1wfq s GLY 31 CO 0.06 -0.69 0.12 -1.36 0.00 0.00 0.00 173.10 171.24 1wfq s PHE 32 N -3.88 3.32 -0.18 1.90 0.40 0.23 -0.22 117.98 119.55 1wfq s PHE 32 Ca 0.08 0.16 -0.00 0.00 -0.60 0.00 0.00 56.93 56.56 1wfq s PHE 32 Cb 0.04 -1.69 0.04 0.00 0.51 0.00 0.00 43.02 41.92 1wfq s PHE 32 CO -0.08 0.55 -0.05 0.42 0.70 0.00 0.00 175.22 176.76 1wfq s ILE 33 N -1.39 1.19 -0.67 0.64 1.01 0.93 -1.90 121.20 121.01 1wfq s ILE 33 Ca 0.30 -0.74 -0.26 0.00 0.00 0.00 0.00 60.65 59.94 1wfq s ILE 33 Cb -0.12 -1.38 0.04 0.00 0.01 0.00 0.00 42.46 41.00 1wfq s ILE 33 CO 0.22 0.09 1.17 -1.58 0.00 0.00 0.00 174.94 174.83 1wfq s GLN 34 N 1.59 3.27 0.49 2.79 2.00 0.46 0.35 119.66 130.61 1wfq s GLN 34 Ca -0.00 -0.22 -0.21 0.00 -2.00 0.00 0.00 55.36 52.93 1wfq s GLN 34 Cb -0.16 -4.13 -0.10 0.00 0.80 0.00 0.00 33.01 29.42 1wfq s GLN 34 CO -0.08 -1.90 0.76 0.00 -0.50 0.00 0.00 175.29 173.57 1wfq n SER 36 N 0.47 1.34 -0.09 0.00 7.64 -1.22 -2.98 113.62 118.78 1wfq n SER 36 Ca 0.11 -1.17 -0.11 0.00 1.01 0.00 0.00 58.87 58.71 1wfq n SER 36 Cb 0.43 0.60 -0.11 0.00 -1.01 0.00 0.00 64.21 64.12 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 -0.43 0.90 -0.00 1.43 1.02 -1.26 -4.61 120.64 117.69 1wfq n GLU 37 Ca 0.05 0.06 0.07 0.00 -0.02 0.00 0.00 57.16 57.32 1wfq n GLU 37 Cb 0.29 -1.41 -0.09 0.00 -0.02 0.00 0.00 31.44 30.21 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 -2.87 1.43 -3.35 3.49 1.85 -1.26 -5.01 116.66 110.93 1wfq n ARG 38 Ca -0.32 -0.07 -0.18 0.00 -1.00 0.00 0.00 57.85 56.28 1wfq n ARG 38 Cb 0.95 -1.23 0.07 0.00 -1.05 0.00 0.00 32.46 31.19 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 -1.67 -6.30 -5.04 2.89 6.02 -1.16 -5.02 117.38 107.09 1wfq n GLN 39 Ca -0.00 0.69 -0.29 0.00 -0.01 0.00 0.00 57.00 57.38 1wfq n GLN 39 Cb 0.29 -5.29 -0.15 0.00 1.02 0.00 0.00 30.24 26.11 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 -3.27 2.02 -0.76 -1.58 0.00 -1.25 -4.89 121.76 112.03 1wfq s ALA 40 Ca 0.36 -1.10 -0.26 0.00 0.00 0.00 0.00 51.96 50.96 1wfq s ALA 40 Cb -0.16 -0.48 0.04 0.00 0.00 0.00 0.00 23.12 22.52 1wfq s ALA 40 CO 0.60 0.49 1.27 1.03 0.00 0.00 0.00 175.76 179.15 1wfq s ARG 41 N -0.82 3.22 0.58 0.00 0.52 -1.26 -0.37 118.95 120.82 1wfq s ARG 41 Ca 0.10 -0.37 -0.07 0.00 -0.52 0.00 0.00 55.73 54.87 1wfq s ARG 41 Cb -0.09 -4.29 -0.01 0.00 0.52 0.00 0.00 34.95 31.07 1wfq s ARG 41 CO 0.00 -2.13 0.92 -0.51 0.02 0.00 0.00 175.30 173.60 1wfq s LEU 42 N 5.54 3.30 -0.24 2.53 1.43 0.15 -4.86 118.68 126.53 1wfq s LEU 42 Ca 0.35 0.94 0.02 0.00 -1.03 0.00 0.00 54.13 54.41 1wfq s LEU 42 Cb -0.08 -3.83 0.05 0.00 0.03 0.00 0.00 46.19 42.36 1wfq s LEU 42 CO 0.12 -0.94 -0.12 0.12 0.23 0.00 0.00 176.35 175.77 1wfq s PHE 43 N -3.00 3.02 -0.09 0.29 5.36 -1.26 -0.05 117.98 122.25 1wfq s PHE 43 Ca 0.53 -2.10 -0.02 0.00 -0.96 0.00 0.00 56.93 54.38 1wfq s PHE 43 Cb -0.11 -1.86 -0.03 0.00 -0.34 0.00 0.00 43.02 40.68 1wfq s PHE 43 CO 0.47 -0.85 0.01 -0.59 -1.46 0.00 0.00 175.22 172.81 1wfq s PHE 44 N 1.19 3.20 0.04 10.12 -0.12 0.69 -3.10 117.98 130.01 1wfq s PHE 44 Ca -0.06 0.21 -0.11 0.00 -0.05 0.00 0.00 56.93 56.93 1wfq s PHE 44 Cb -0.18 -1.81 -0.06 0.00 -0.63 0.00 0.00 43.02 40.34 1wfq s PHE 44 CO -0.07 0.48 0.38 -1.58 -0.05 0.00 0.00 175.22 174.39 1wfq s HIS 45 N -0.85 3.63 0.11 3.49 5.65 -1.26 -1.11 115.29 124.95 1wfq s HIS 45 Ca 0.13 0.83 0.17 0.00 0.25 0.00 0.00 55.06 56.43 1wfq s HIS 45 Cb -0.11 -2.18 0.92 0.00 -1.18 0.00 0.00 32.58 30.02 1wfq s HIS 45 CO 0.02 0.57 1.44 0.00 -0.65 0.00 0.00 174.74 176.13 1wfq h SER 47 N 0.00 0.06 -0.02 0.00 0.87 -1.92 -3.33 113.55 109.22 1wfq h SER 47 Ca 0.00 -0.07 -0.00 0.00 -1.23 0.00 0.00 61.79 60.49 1wfq h SER 47 Cb 0.55 -0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 62.49 1wfq h SER 47 CO 0.00 1.06 0.00 1.56 -0.53 0.00 0.00 176.83 178.92 1wfq h GLN 48 N 0.01 0.03 -6.23 2.24 1.08 -0.36 -3.43 115.11 108.45 1wfq h GLN 48 Ca -0.05 -0.01 -0.68 0.00 -1.45 0.00 0.00 58.65 56.47 1wfq h GLN 48 Cb 1.82 -0.00 0.02 0.00 -0.05 0.00 0.00 27.48 29.27 1wfq h GLN 48 CO 0.14 0.22 0.91 0.98 -0.95 0.00 0.00 178.83 180.13 1wfq n TYR 49 N -4.97 2.11 1.01 2.96 9.36 -1.22 -1.76 117.16 124.64 1wfq n TYR 49 Ca -0.07 0.34 0.04 0.00 3.32 0.00 0.00 57.90 61.53 1wfq n TYR 49 Cb 0.12 -2.52 0.13 0.00 -0.63 0.00 0.00 39.34 36.44 1wfq n TYR 49 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 1wfq n ASN 50 N 5.35 1.65 0.00 2.98 4.13 -0.13 -4.83 115.26 124.42 1wfq n ASN 50 Ca 0.24 -2.04 0.00 0.00 1.68 0.00 0.00 54.58 54.46 1wfq n ASN 50 Cb 0.20 -0.23 0.00 0.00 -1.54 0.00 0.00 39.78 38.21 1wfq n ASN 50 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1wfq n GLY 51 N 0.87 4.12 2.91 7.41 0.00 -1.26 -5.08 105.19 114.15 1wfq n GLY 51 Ca 0.10 -1.21 -0.30 0.00 0.00 0.00 0.00 46.02 44.60 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 0.79 4.16 0.24 1.61 3.04 -1.26 -5.00 114.94 118.52 1wfq s ASN 52 Ca 0.00 -1.58 0.07 0.00 0.04 0.00 0.00 52.86 51.39 1wfq s ASN 52 Cb 0.00 -1.23 0.72 0.00 -1.54 0.00 0.00 41.25 39.21 1wfq s ASN 52 CO 0.00 -0.32 1.15 0.18 -3.04 0.00 0.00 177.10 175.06 1wfq n LEU 53 N 4.60 0.05 -0.26 3.21 7.99 -1.26 0.14 117.00 131.46 1wfq n LEU 53 Ca -0.05 1.23 0.04 0.00 -0.01 0.00 0.00 56.01 57.22 1wfq n LEU 53 Cb 0.43 -0.51 0.13 0.00 -0.11 0.00 0.00 43.42 43.37 1wfq n LEU 53 CO 0.17 -1.30 0.77 1.56 -1.51 0.00 0.00 177.39 177.08 1wfq h GLN 54 N 0.00 0.04 -0.51 3.23 7.50 -2.01 0.36 115.11 123.73 1wfq h GLN 54 Ca 0.51 -0.00 -0.07 0.00 0.50 0.00 0.00 58.65 59.58 1wfq h GLN 54 Cb 1.20 -0.01 -0.02 0.00 0.05 0.00 0.00 27.48 28.69 1wfq h GLN 54 CO -0.64 0.03 0.02 0.22 -1.50 0.00 0.00 178.83 176.96 1wfq h ASP 55 N 0.05 0.81 -3.86 1.46 1.82 0.78 -3.44 116.42 114.03 1wfq h ASP 55 Ca 0.40 -0.20 -0.48 0.00 -0.39 0.00 0.00 57.03 56.37 1wfq h ASP 55 Cb 0.67 -0.21 0.18 0.00 0.68 0.00 0.00 39.33 40.65 1wfq h ASP 55 CO -0.74 0.86 0.16 -0.22 -1.61 0.00 0.00 179.24 177.70 1wfq s LEU 56 N -9.21 1.93 0.01 2.28 2.96 0.13 -5.06 118.68 111.72 1wfq s LEU 56 Ca -0.10 1.68 -0.29 0.00 -0.22 0.00 0.00 54.13 55.20 1wfq s LEU 56 Cb 0.15 -3.92 0.10 0.00 0.50 0.00 0.00 46.19 43.02 1wfq s LEU 56 CO 0.82 -3.28 0.91 -1.59 -1.32 0.00 0.00 176.35 171.89 1wfq s LYS 57 N -4.70 0.84 -0.24 1.98 -2.85 -1.26 -4.97 119.74 108.54 1wfq s LYS 57 Ca 0.66 -0.34 -0.29 0.00 -1.00 0.00 0.00 55.97 55.00 1wfq s LYS 57 Cb -0.21 0.37 -0.01 0.00 -2.06 0.00 0.00 37.83 35.92 1wfq s LYS 57 CO 0.60 -0.37 1.39 0.08 0.10 0.00 0.00 175.35 177.15 1wfq s VAL 58 N -3.11 4.03 0.00 1.79 1.01 -1.26 -3.24 120.40 119.61 1wfq s VAL 58 Ca 0.06 1.18 0.00 0.00 0.00 0.00 0.00 61.98 63.22 1wfq s VAL 58 Cb -0.01 -3.98 0.00 0.00 0.00 0.00 0.00 36.38 32.39 1wfq s VAL 58 CO -0.07 -0.34 0.00 0.61 0.00 0.00 0.00 175.10 175.29 1wfq n GLY 59 N 4.26 1.66 3.15 4.51 0.00 -0.17 -4.99 105.19 113.61 1wfq n GLY 59 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 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 2.57 0.36 1.61 1.11 -1.20 -4.91 116.67 114.22 1wfq s ASP 60 Ca 0.00 -0.45 -0.28 0.00 0.18 0.00 0.00 52.55 52.00 1wfq s ASP 60 Cb 0.00 -1.10 -0.11 0.00 1.07 0.00 0.00 42.92 42.78 1wfq s ASP 60 CO 0.00 0.12 1.47 0.47 1.18 0.00 0.00 175.17 178.41 1wfq n ASP 61 N 3.54 3.64 -3.74 0.27 8.00 -1.26 -3.40 116.55 123.60 1wfq n ASP 61 Ca -0.20 1.22 -0.13 0.00 0.71 0.00 0.00 54.79 56.39 1wfq n ASP 61 Cb 0.52 -1.60 -0.10 0.00 -0.02 0.00 0.00 41.12 39.93 1wfq n ASP 61 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1wfq s VAL 62 N -1.02 0.01 -0.13 2.53 -7.23 -1.25 -3.49 120.40 109.83 1wfq s VAL 62 Ca 0.54 -0.11 -0.08 0.00 -1.81 0.00 0.00 61.98 60.53 1wfq s VAL 62 Cb -0.49 -0.57 -0.04 0.00 0.56 0.00 0.00 36.38 35.83 1wfq s VAL 62 CO 0.62 -0.06 0.14 -0.70 -0.31 0.00 0.00 175.10 174.80 1wfq s GLU 63 N -0.20 3.54 0.32 4.82 2.12 0.11 -2.86 118.70 126.56 1wfq s GLU 63 Ca -0.03 -0.13 -0.04 0.00 0.36 0.00 0.00 54.97 55.13 1wfq s GLU 63 Cb -0.03 -3.22 -0.00 0.00 0.26 0.00 0.00 34.13 31.14 1wfq s GLU 63 CO 0.02 0.72 0.45 -0.59 -0.54 0.00 0.00 175.26 175.32 1wfq s PHE 64 N -0.86 0.98 -0.23 5.30 -0.71 0.36 0.49 117.98 123.30 1wfq s PHE 64 Ca 0.14 -1.22 0.02 0.00 -1.04 0.00 0.00 56.93 54.83 1wfq s PHE 64 Cb -0.12 -0.08 0.05 0.00 -1.21 0.00 0.00 43.02 41.66 1wfq s PHE 64 CO 0.03 -1.09 -0.13 -2.00 -1.34 0.00 0.00 175.22 170.70 1wfq s GLU 65 N -3.25 2.34 -0.07 1.99 2.12 -0.76 0.86 118.70 121.94 1wfq s GLU 65 Ca 0.30 -1.16 -0.30 0.00 0.36 0.00 0.00 54.97 54.18 1wfq s GLU 65 Cb -0.00 -2.75 -0.05 0.00 0.26 0.00 0.00 34.13 31.60 1wfq s GLU 65 CO 0.18 -0.48 1.54 0.08 -0.54 0.00 0.00 175.26 176.04 1wfq s VAL 66 N 1.19 3.74 0.38 3.70 1.01 -1.26 -2.26 120.40 126.90 1wfq s VAL 66 Ca -0.05 0.93 0.05 0.00 0.00 0.00 0.00 61.98 62.91 1wfq s VAL 66 Cb -0.18 -3.60 -0.02 0.00 0.00 0.00 0.00 36.38 32.58 1wfq s VAL 66 CO -0.07 -0.07 0.18 -0.24 0.00 0.00 0.00 175.10 174.89 1wfq n SER 67 N 6.75 0.76 -4.49 3.32 2.88 0.02 -4.95 113.62 117.92 1wfq n SER 67 Ca 0.16 -3.14 -0.33 0.00 -1.33 0.00 0.00 58.87 54.23 1wfq n SER 67 Cb 0.43 1.17 -0.13 0.00 -0.75 0.00 0.00 64.21 64.93 1wfq n SER 67 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wfq s SER 68 N -3.42 4.47 0.99 -3.46 0.01 -1.26 -0.78 113.70 110.25 1wfq s SER 68 Ca 0.25 -0.16 -0.12 0.00 1.31 0.00 0.00 55.95 57.23 1wfq s SER 68 Cb 0.01 -1.46 0.18 0.00 0.21 0.00 0.00 66.02 64.96 1wfq s SER 68 CO 0.18 0.24 1.10 -0.62 0.41 0.00 0.00 173.24 174.55 1wfq s ASP 69 N -0.10 2.70 0.00 2.44 2.15 -0.99 -4.88 116.67 117.98 1wfq s ASP 69 Ca 0.00 1.15 0.16 0.00 0.43 0.00 0.00 52.55 54.29 1wfq s ASP 69 Cb -0.13 -1.80 0.04 0.00 -0.30 0.00 0.00 42.92 40.73 1wfq s ASP 69 CO 0.03 -3.08 0.89 0.54 -0.17 0.00 0.00 175.17 173.38 1wfq n ARG 70 N -4.14 1.57 -0.05 4.34 5.12 -1.26 -3.07 116.66 119.17 1wfq n ARG 70 Ca 0.05 -1.01 -0.07 0.00 -1.93 0.00 0.00 57.85 54.90 1wfq n ARG 70 Cb 0.58 -1.27 -0.04 0.00 -1.16 0.00 0.00 32.46 30.56 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 0.20 0.24 -0.00 5.56 5.12 -1.26 -4.78 116.66 121.74 1wfq n ARG 71 Ca 0.07 0.06 0.04 0.00 -1.93 0.00 0.00 57.85 56.09 1wfq n ARG 71 Cb 0.35 -1.17 -0.06 0.00 -1.16 0.00 0.00 32.46 30.42 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 -2.83 0.00 -1.20 0.55 -2.24 -1.26 -5.00 114.28 102.30 1wfq n THR 72 Ca -0.17 -0.16 -0.07 0.00 -2.27 0.00 0.00 64.05 61.37 1wfq n THR 72 Cb 0.68 0.34 -0.03 0.00 -2.10 0.00 0.00 70.33 69.22 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 2.09 0.80 3.86 3.38 0.00 -1.18 -4.92 105.19 109.22 1wfq n GLY 73 Ca -0.01 -0.18 -0.31 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.23 3.87 -0.63 1.61 1.02 -1.26 -4.35 119.74 117.77 1wfq s LYS 74 Ca 0.00 0.72 -0.26 0.00 0.02 0.00 0.00 55.97 56.45 1wfq s LYS 74 Cb 0.00 -2.26 -0.02 0.00 -0.52 0.00 0.00 37.83 35.02 1wfq s LYS 74 CO 0.00 -0.15 1.87 -1.25 -0.92 0.00 0.00 175.35 174.90 1wfq s PRO 75 N -3.93 2.62 0.37 -1.68 0.04 -1.26 -2.35 135.00 128.82 1wfq s PRO 75 Ca 0.55 0.56 0.08 0.00 0.04 0.00 0.00 61.00 62.23 1wfq s PRO 75 Cb -0.10 -4.43 -0.03 0.00 0.04 0.00 0.00 34.50 29.98 1wfq s PRO 75 CO 0.31 -2.78 0.24 0.96 0.04 0.00 0.00 177.00 175.78 1wfq s ILE 76 N 9.15 2.91 0.06 0.56 -4.36 0.04 -4.66 121.20 124.90 1wfq s ILE 76 Ca 0.67 -1.53 -0.06 0.00 -0.26 0.00 0.00 60.65 59.47 1wfq s ILE 76 Cb -0.12 -3.03 -0.05 0.00 1.25 0.00 0.00 42.46 40.51 1wfq s ILE 76 CO 0.19 -0.10 0.31 0.00 0.24 0.00 0.00 174.94 175.59 1wfq s ALA 77 N -2.44 3.83 0.08 2.27 0.00 -1.18 -0.80 121.76 123.52 1wfq s ALA 77 Ca 0.42 -0.57 -0.07 0.00 0.00 0.00 0.00 51.96 51.74 1wfq s ALA 77 Cb -0.02 -2.09 -0.01 0.00 0.00 0.00 0.00 23.12 21.00 1wfq s ALA 77 CO 0.25 0.66 0.14 0.14 0.00 0.00 0.00 175.76 176.95 1wfq s VAL 78 N -1.43 0.16 -1.40 0.00 -7.23 -0.96 -4.45 120.40 105.09 1wfq s VAL 78 Ca 0.33 -1.30 -0.04 0.00 -1.81 0.00 0.00 61.98 59.16 1wfq s VAL 78 Cb -0.13 -1.34 0.00 0.00 0.56 0.00 0.00 36.38 35.47 1wfq s VAL 78 CO 0.20 -0.72 0.39 0.29 -0.31 0.00 0.00 175.10 174.95 1wfq n LYS 79 N 0.05 -2.55 -1.97 4.82 5.02 -1.21 -1.83 118.16 120.48 1wfq n LYS 79 Ca -0.15 0.34 -0.37 0.00 -2.02 0.00 0.00 58.31 56.11 1wfq n LYS 79 Cb 0.62 -4.23 0.03 0.00 -0.02 0.00 0.00 35.03 31.43 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 -7.01 3.79 -0.26 -0.35 2.96 -0.72 -4.54 118.68 112.54 1wfq s LEU 80 Ca 0.07 2.51 -0.10 0.00 -0.22 0.00 0.00 54.13 56.40 1wfq s LEU 80 Cb -0.03 -4.42 0.11 0.00 0.50 0.00 0.00 46.19 42.35 1wfq s LEU 80 CO 0.91 -1.48 0.58 0.68 -1.32 0.00 0.00 176.35 175.71 1wfq s VAL 81 N -1.47 -0.75 0.19 1.68 -7.23 0.18 -0.95 120.40 112.04 1wfq s VAL 81 Ca 0.73 0.05 -0.33 0.00 -1.81 0.00 0.00 61.98 60.63 1wfq s VAL 81 Cb -0.34 -0.89 -0.13 0.00 0.56 0.00 0.00 36.38 35.59 1wfq s VAL 81 CO 0.39 0.02 1.68 1.17 -0.31 0.00 0.00 175.10 178.05 1wfq n LYS 82 N 5.26 2.57 0.19 4.82 4.81 -1.26 0.09 118.16 134.63 1wfq n LYS 82 Ca -0.12 0.93 -0.14 0.00 -0.87 0.00 0.00 58.31 58.10 1wfq n LYS 82 Cb 0.50 -2.75 -0.08 0.00 0.02 0.00 0.00 35.03 32.73 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 3.75 0.67 -2.26 3.15 2.04 -1.88 -3.40 117.51 119.57 1wfq h ILE 83 Ca -0.44 -0.39 -0.53 0.00 1.00 0.00 0.00 64.86 64.51 1wfq h ILE 83 Cb 1.22 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 38.14 1wfq h ILE 83 CO 0.93 0.08 1.34 -0.55 0.00 0.00 0.00 178.15 179.95 1wfq s SER 84 N -4.95 5.48 0.00 1.72 0.15 -1.26 -4.54 113.70 110.30 1wfq s SER 84 Ca -0.15 0.80 0.00 0.00 0.70 0.00 0.00 55.95 57.30 1wfq s SER 84 Cb 0.03 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.81 1wfq s SER 84 CO 0.58 -2.12 0.00 0.61 1.20 0.00 0.00 173.24 173.51 1wfq n GLY 85 N 5.59 -1.71 3.77 9.45 0.00 -1.26 -5.16 105.19 115.88 1wfq n GLY 85 Ca 0.23 0.58 -0.38 0.00 0.00 0.00 0.00 46.02 46.44 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 3.98 0.01 1.61 0.04 -1.26 -5.02 135.00 134.37 1wfq s PRO 86 Ca 0.00 1.86 -0.21 0.00 0.04 0.00 0.00 61.00 62.70 1wfq s PRO 86 Cb 0.00 -2.63 -0.06 0.00 0.04 0.00 0.00 34.50 31.85 1wfq s PRO 86 CO 0.00 -0.39 0.60 0.45 0.04 0.00 0.00 177.00 177.70 1wfq s SER 87 N -1.13 7.00 0.11 6.66 0.15 -1.26 -4.99 113.70 120.24 1wfq s SER 87 Ca 0.58 1.19 -0.19 0.00 0.70 0.00 0.00 55.95 58.23 1wfq s SER 87 Cb -0.31 -2.37 -0.07 0.00 -1.71 0.00 0.00 66.02 61.56 1wfq s SER 87 CO 0.39 0.13 1.70 0.77 1.20 0.00 0.00 173.24 177.43 1wfq h SER 88 N 5.43 0.28 -0.01 5.45 4.64 -2.09 -3.57 113.55 123.66 1wfq h SER 88 Ca -0.46 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 60.76 1wfq h SER 88 Cb 1.20 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1wfq h SER 88 CO 0.68 0.29 0.00 0.61 -0.87 0.00 0.00 176.83 177.55