#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 6.40 0.23 1.61 0.15 -1.26 -4.99 113.70 115.83 1wfq s SER 2 Ca 0.00 -0.18 -0.20 0.00 0.70 0.00 0.00 55.95 56.27 1wfq s SER 2 Cb 0.00 -2.41 0.03 0.00 -1.71 0.00 0.00 66.02 61.93 1wfq s SER 2 CO 0.00 -1.04 0.62 -0.44 1.20 0.00 0.00 173.24 173.58 1wfq s SER 3 N 2.41 -0.32 0.00 5.45 0.01 -1.26 -5.18 113.70 114.81 1wfq s SER 3 Ca 0.31 -0.46 0.00 0.00 1.31 0.00 0.00 55.95 57.11 1wfq s SER 3 Cb -0.12 0.65 0.00 0.00 0.21 0.00 0.00 66.02 66.75 1wfq s SER 3 CO 0.22 -1.16 0.00 0.61 0.41 0.00 0.00 173.24 173.31 1wfq n GLY 4 N -0.40 4.81 3.15 3.44 0.00 -1.26 -5.15 105.19 109.77 1wfq n GLY 4 Ca -0.08 -1.78 0.04 0.00 0.00 0.00 0.00 46.02 44.19 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 0.83 -1.36 0.33 1.61 0.01 -1.26 -5.14 113.70 108.72 1wfq s SER 5 Ca 0.00 0.86 -0.27 0.00 1.31 0.00 0.00 55.95 57.85 1wfq s SER 5 Cb 0.00 2.15 -0.13 0.00 0.21 0.00 0.00 66.02 68.25 1wfq s SER 5 CO 0.00 -0.26 1.02 -1.20 0.41 0.00 0.00 173.24 173.20 1wfq n SER 6 N 5.43 1.34 -1.00 2.44 7.64 -1.26 -3.59 113.62 124.62 1wfq n SER 6 Ca -0.01 1.13 0.00 0.00 1.01 0.00 0.00 58.87 61.00 1wfq n SER 6 Cb 0.51 -1.32 0.00 0.00 -1.01 0.00 0.00 64.21 62.39 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 1.19 0.50 0.00 0.23 0.00 -1.26 -5.07 105.19 100.79 1wfq n GLY 7 Ca 0.09 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.00 -2.62 3.78 -0.02 0.00 -1.24 -4.85 105.19 99.25 1wfq n GLY 8 Ca 0.00 -0.13 -0.27 0.00 0.00 0.00 0.00 46.02 45.62 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 3.14 0.48 1.61 -0.85 -1.26 -3.69 117.35 116.77 1wfq s TYR 9 Ca 0.00 -0.00 -0.22 0.00 -0.52 0.00 0.00 57.07 56.33 1wfq s TYR 9 Cb 0.00 -1.53 -0.07 0.00 0.38 0.00 0.00 41.96 40.74 1wfq s TYR 9 CO 0.00 0.52 1.16 -1.25 -1.52 0.00 0.00 175.55 174.46 1wfq s PRO 10 N -2.92 3.68 -0.40 -3.49 0.04 -1.26 -5.14 135.00 125.51 1wfq s PRO 10 Ca 0.30 1.74 -0.09 0.00 0.04 0.00 0.00 61.00 62.99 1wfq s PRO 10 Cb -0.10 -2.33 0.06 0.00 0.04 0.00 0.00 34.50 32.17 1wfq s PRO 10 CO 0.23 -0.61 0.24 1.21 0.04 0.00 0.00 177.00 178.11 1wfq s ASN 11 N -1.45 5.64 0.00 6.66 2.47 -1.24 -4.99 114.94 122.03 1wfq s ASN 11 Ca 0.65 -1.37 0.00 0.00 0.42 0.00 0.00 52.86 52.57 1wfq s ASN 11 Cb -0.28 -1.99 0.00 0.00 -1.45 0.00 0.00 41.25 37.54 1wfq s ASN 11 CO 0.33 -0.49 0.00 0.61 -3.72 0.00 0.00 177.10 173.83 1wfq n GLY 12 N 4.93 1.85 0.08 1.21 0.00 -1.26 -4.94 105.19 107.06 1wfq n GLY 12 Ca -0.11 -2.21 -0.10 0.00 0.00 0.00 0.00 46.02 43.61 1wfq n GLY 12 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1wfq h THR 13 N 0.00 0.55 -3.14 2.61 2.02 -2.05 -3.45 112.91 109.45 1wfq h THR 13 Ca 0.00 -1.55 -0.55 0.00 0.77 0.00 0.00 66.41 65.08 1wfq h THR 13 Cb 0.00 1.18 -0.02 0.00 -1.74 0.00 0.00 68.15 67.57 1wfq h THR 13 CO 0.00 0.19 0.65 -0.55 0.37 0.00 0.00 175.52 176.18 1wfq s SER 14 N -6.08 7.10 0.12 4.18 0.15 -1.26 -5.03 113.70 112.88 1wfq s SER 14 Ca -0.16 1.76 0.04 0.00 0.70 0.00 0.00 55.95 58.29 1wfq s SER 14 Cb 0.02 -2.56 -0.04 0.00 -1.71 0.00 0.00 66.02 61.73 1wfq s SER 14 CO 0.35 -0.54 -0.10 0.00 1.20 0.00 0.00 173.24 174.15 1wfq s ALA 15 N 2.07 1.26 0.46 5.45 0.00 -1.26 -5.03 121.76 124.71 1wfq s ALA 15 Ca 0.54 -1.34 0.07 0.00 0.00 0.00 0.00 51.96 51.23 1wfq s ALA 15 Cb -0.24 0.05 -0.00 0.00 0.00 0.00 0.00 23.12 22.93 1wfq s ALA 15 CO 0.22 -0.08 0.36 0.00 0.00 0.00 0.00 175.76 176.26 1wfq s ALA 16 N -2.94 4.11 -0.30 0.00 0.00 -1.26 -5.13 121.76 116.24 1wfq s ALA 16 Ca 0.11 -1.73 -0.13 0.00 0.00 0.00 0.00 51.96 50.21 1wfq s ALA 16 Cb 0.00 -0.81 0.18 0.00 0.00 0.00 0.00 23.12 22.48 1wfq s ALA 16 CO -0.00 -0.31 1.04 -1.17 0.00 0.00 0.00 175.76 175.32 1wfq s LEU 17 N -4.15 -0.47 -0.04 0.00 1.98 -1.26 -5.13 118.68 109.60 1wfq s LEU 17 Ca 0.43 0.32 -0.30 0.00 -2.89 0.00 0.00 54.13 51.69 1wfq s LEU 17 Cb -0.02 1.41 -0.05 0.00 0.66 0.00 0.00 46.19 48.19 1wfq s LEU 17 CO 0.25 -0.09 1.50 -0.13 -1.89 0.00 0.00 176.35 175.99 1wfq s ARG 18 N 2.91 4.23 0.16 1.98 1.81 -1.26 -4.54 118.95 124.24 1wfq s ARG 18 Ca -0.01 2.03 0.00 0.00 -1.72 0.00 0.00 55.73 56.04 1wfq s ARG 18 Cb -0.10 -3.77 -0.04 0.00 -0.45 0.00 0.00 34.95 30.59 1wfq s ARG 18 CO -0.12 -0.72 0.33 -1.21 -0.68 0.00 0.00 175.30 172.91 1wfq s GLU 19 N 3.23 3.48 -0.01 3.54 0.41 0.23 -4.87 118.70 124.72 1wfq s GLU 19 Ca 0.67 -0.44 0.07 0.00 -0.41 0.00 0.00 54.97 54.86 1wfq s GLU 19 Cb -0.31 -2.91 -0.02 0.00 -1.78 0.00 0.00 34.13 29.11 1wfq s GLU 19 CO 0.26 0.48 -0.23 0.95 -0.49 0.00 0.00 175.26 176.23 1wfq s THR 20 N -1.77 1.78 0.00 3.63 -4.23 -1.26 -0.84 115.64 112.96 1wfq s THR 20 Ca 0.37 -1.01 0.00 0.00 -1.18 0.00 0.00 61.69 59.87 1wfq s THR 20 Cb -0.11 -1.49 0.00 0.00 1.34 0.00 0.00 72.50 72.24 1wfq s THR 20 CO 0.28 0.46 0.00 0.61 -0.54 0.00 0.00 174.62 175.44 1wfq n GLY 21 N 2.42 4.20 3.41 3.99 0.00 -1.15 -3.07 105.19 114.99 1wfq n GLY 21 Ca -0.16 -0.39 -0.14 0.00 0.00 0.00 0.00 46.02 45.34 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 2.23 0.00 -0.81 1.61 0.11 -0.88 -3.95 120.40 118.71 1wfq s VAL 22 Ca 0.00 -0.03 -0.25 0.00 -2.93 0.00 0.00 61.98 58.77 1wfq s VAL 22 Cb 0.00 -0.73 -0.03 0.00 -1.53 0.00 0.00 36.38 34.09 1wfq s VAL 22 CO 0.00 -0.01 1.87 -0.63 -3.33 0.00 0.00 175.10 173.00 1wfq s ILE 23 N 0.12 3.45 0.11 7.04 -1.09 -1.24 0.15 121.20 129.74 1wfq s ILE 23 Ca -0.01 -0.18 -0.15 0.00 -2.23 0.00 0.00 60.65 58.07 1wfq s ILE 23 Cb -0.04 -4.07 -0.05 0.00 -1.58 0.00 0.00 42.46 36.73 1wfq s ILE 23 CO 0.01 -1.01 1.51 -0.08 -1.23 0.00 0.00 174.94 174.14 1wfq h GLU 24 N 12.37 0.66 -4.07 2.79 4.57 -1.81 -2.29 114.58 126.80 1wfq h GLU 24 Ca -0.02 -0.26 -0.14 0.00 -1.18 0.00 0.00 59.36 57.76 1wfq h GLU 24 Cb 1.06 -0.04 -0.18 0.00 -0.16 0.00 0.00 28.75 29.43 1wfq h GLU 24 CO 1.23 0.83 -0.67 0.21 -1.18 0.00 0.00 179.01 179.43 1wfq s LYS 25 N -4.77 0.47 -0.09 1.92 2.36 -1.19 -4.88 119.74 113.54 1wfq s LYS 25 Ca -0.13 -0.89 -0.08 0.00 -2.55 0.00 0.00 55.97 52.33 1wfq s LYS 25 Cb 0.09 0.17 0.03 0.00 -1.05 0.00 0.00 37.83 37.06 1wfq s LYS 25 CO 0.80 -0.09 0.24 -1.17 1.55 0.00 0.00 175.35 176.68 1wfq s LEU 26 N -2.15 0.96 0.00 5.43 2.96 -1.26 0.57 118.68 125.19 1wfq s LEU 26 Ca -0.05 0.49 0.04 0.00 -0.22 0.00 0.00 54.13 54.39 1wfq s LEU 26 Cb -0.01 0.80 -0.01 0.00 0.50 0.00 0.00 46.19 47.47 1wfq s LEU 26 CO -0.05 -0.10 0.14 0.18 -1.32 0.00 0.00 176.35 175.20 1wfq n LEU 27 N 3.19 0.00 0.12 -0.68 4.32 0.27 -4.95 117.00 119.27 1wfq n LEU 27 Ca -0.15 -2.47 -0.02 0.00 -0.02 0.00 0.00 56.01 53.35 1wfq n LEU 27 Cb 0.57 0.94 0.06 0.00 -1.62 0.00 0.00 43.42 43.37 1wfq n LEU 27 CO 0.18 -0.39 0.38 0.74 -1.22 0.00 0.00 177.39 177.08 1wfq h THR 28 N 1.61 1.38 0.09 -5.08 2.02 -2.04 -3.32 112.91 107.57 1wfq h THR 28 Ca -0.23 -2.55 -0.34 0.00 0.77 0.00 0.00 66.41 64.06 1wfq h THR 28 Cb 0.96 2.43 -0.02 0.00 -1.74 0.00 0.00 68.15 69.77 1wfq h THR 28 CO 0.37 0.70 -1.84 -1.20 0.37 0.00 0.00 175.52 173.92 1wfq n SER 29 N -3.50 2.06 -2.09 4.18 7.64 -1.26 -4.99 113.62 115.65 1wfq n SER 29 Ca -0.00 0.26 -0.04 0.00 1.01 0.00 0.00 58.87 60.10 1wfq n SER 29 Cb 0.74 -0.89 0.02 0.00 -1.01 0.00 0.00 64.21 63.07 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 -3.72 -1.53 -3.85 1.43 0.18 -1.25 -3.43 117.16 105.00 1wfq n TYR 30 Ca -0.32 -0.94 -0.09 0.00 1.88 0.00 0.00 57.90 58.42 1wfq n TYR 30 Cb 0.96 0.47 -0.06 0.00 -0.38 0.00 0.00 39.34 40.32 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 0.17 0.25 -7.48 0.00 -0.17 0.98 107.32 98.72 1wfq s GLY 31 Ca 0.10 -0.59 0.07 0.00 0.00 0.00 0.00 44.72 44.30 1wfq s GLY 31 CO 0.06 -0.67 0.19 -1.36 0.00 0.00 0.00 173.10 171.32 1wfq s PHE 32 N -3.90 3.11 -0.13 1.90 0.40 0.19 0.17 117.98 119.73 1wfq s PHE 32 Ca 0.10 -0.11 -0.04 0.00 -0.60 0.00 0.00 56.93 56.28 1wfq s PHE 32 Cb 0.03 -1.40 0.05 0.00 0.51 0.00 0.00 43.02 42.21 1wfq s PHE 32 CO -0.05 0.52 0.07 0.42 0.70 0.00 0.00 175.22 176.88 1wfq s ILE 33 N -2.14 -0.01 -0.74 0.64 1.01 -0.17 -2.46 121.20 117.35 1wfq s ILE 33 Ca 0.33 -0.02 -0.27 0.00 0.00 0.00 0.00 60.65 60.69 1wfq s ILE 33 Cb -0.08 -0.50 0.03 0.00 0.01 0.00 0.00 42.46 41.92 1wfq s ILE 33 CO 0.25 -0.11 1.31 -1.58 0.00 0.00 0.00 174.94 174.81 1wfq s GLN 34 N 2.11 3.16 0.19 2.79 2.00 0.40 0.10 119.66 130.40 1wfq s GLN 34 Ca 0.03 -0.20 -0.32 0.00 -2.00 0.00 0.00 55.36 52.87 1wfq s GLN 34 Cb -0.15 -4.20 -0.16 0.00 0.80 0.00 0.00 33.01 29.31 1wfq s GLN 34 CO -0.07 -2.18 1.02 0.00 -0.50 0.00 0.00 175.29 173.56 1wfq n SER 36 N 1.81 3.36 -0.03 0.00 7.64 -1.17 -2.43 113.62 122.80 1wfq n SER 36 Ca 0.15 -1.97 -0.04 0.00 1.01 0.00 0.00 58.87 58.02 1wfq n SER 36 Cb 0.25 -0.28 -0.03 0.00 -1.01 0.00 0.00 64.21 63.14 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 1.40 0.75 -0.00 1.43 1.02 -1.26 -4.72 120.64 119.27 1wfq n GLU 37 Ca 0.20 0.03 0.07 0.00 -0.02 0.00 0.00 57.16 57.44 1wfq n GLU 37 Cb 0.58 -1.12 -0.10 0.00 -0.02 0.00 0.00 31.44 30.78 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 -2.58 1.57 -3.35 3.49 1.85 -1.26 -5.00 116.66 111.37 1wfq n ARG 38 Ca -0.10 -0.03 -0.18 0.00 -1.00 0.00 0.00 57.85 56.54 1wfq n ARG 38 Cb 0.62 -1.26 0.07 0.00 -1.05 0.00 0.00 32.46 30.84 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 -1.51 -6.38 -4.81 2.89 1.13 -1.02 -5.02 117.38 102.66 1wfq n GLN 39 Ca 0.02 0.72 -0.25 0.00 -1.94 0.00 0.00 57.00 55.55 1wfq n GLN 39 Cb 0.28 -5.42 -0.15 0.00 0.11 0.00 0.00 30.24 25.06 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 -3.29 1.50 -0.66 -1.58 0.00 -1.24 -4.91 121.76 111.59 1wfq s ALA 40 Ca 0.28 -0.81 -0.27 0.00 0.00 0.00 0.00 51.96 51.17 1wfq s ALA 40 Cb -0.12 -0.36 0.04 0.00 0.00 0.00 0.00 23.12 22.67 1wfq s ALA 40 CO 0.63 0.36 1.18 1.03 0.00 0.00 0.00 175.76 178.97 1wfq s ARG 41 N -0.55 3.31 0.70 0.00 0.52 -1.26 0.09 118.95 121.76 1wfq s ARG 41 Ca 0.07 -0.13 -0.06 0.00 -0.52 0.00 0.00 55.73 55.09 1wfq s ARG 41 Cb -0.07 -4.11 0.07 0.00 0.52 0.00 0.00 34.95 31.35 1wfq s ARG 41 CO -0.00 -1.89 1.00 -0.51 0.02 0.00 0.00 175.30 173.92 1wfq s LEU 42 N 5.12 2.86 -0.26 2.53 1.43 0.11 -4.87 118.68 125.61 1wfq s LEU 42 Ca 0.36 0.37 0.00 0.00 -1.03 0.00 0.00 54.13 53.83 1wfq s LEU 42 Cb -0.09 -3.01 0.07 0.00 0.03 0.00 0.00 46.19 43.20 1wfq s LEU 42 CO 0.19 -1.60 0.01 0.12 0.23 0.00 0.00 176.35 175.29 1wfq s PHE 43 N -3.22 2.25 -0.10 0.29 5.36 -1.26 -1.00 117.98 120.31 1wfq s PHE 43 Ca 0.61 -1.81 -0.05 0.00 -0.96 0.00 0.00 56.93 54.71 1wfq s PHE 43 Cb -0.10 -1.72 -0.04 0.00 -0.34 0.00 0.00 43.02 40.82 1wfq s PHE 43 CO 0.44 -0.80 0.11 -0.59 -1.46 0.00 0.00 175.22 172.93 1wfq s PHE 44 N 1.44 3.49 -0.03 10.12 -0.71 0.13 -3.00 117.98 129.42 1wfq s PHE 44 Ca 0.01 0.43 -0.14 0.00 -1.04 0.00 0.00 56.93 56.19 1wfq s PHE 44 Cb -0.18 -1.89 -0.05 0.00 -1.21 0.00 0.00 43.02 39.68 1wfq s PHE 44 CO -0.11 0.67 0.39 -1.58 -1.34 0.00 0.00 175.22 173.25 1wfq s HIS 45 N -1.03 3.69 0.37 3.49 2.46 -1.26 -1.00 115.29 122.00 1wfq s HIS 45 Ca 0.16 0.93 0.20 0.00 0.47 0.00 0.00 55.06 56.82 1wfq s HIS 45 Cb -0.12 -2.29 1.07 0.00 -0.13 0.00 0.00 32.58 31.11 1wfq s HIS 45 CO 0.05 0.59 1.55 0.00 -2.47 0.00 0.00 174.74 174.46 1wfq h SER 47 N 0.00 0.23 0.01 0.00 0.87 -1.92 -3.31 113.55 109.42 1wfq h SER 47 Ca 0.00 -0.21 -0.00 0.00 -1.23 0.00 0.00 61.79 60.35 1wfq h SER 47 Cb 0.76 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.64 1wfq h SER 47 CO 0.00 1.09 -0.00 1.56 -0.53 0.00 0.00 176.83 178.95 1wfq h GLN 48 N 0.07 -0.01 -6.35 2.24 1.08 -0.19 -3.43 115.11 108.51 1wfq h GLN 48 Ca -0.06 0.00 -0.65 0.00 -1.45 0.00 0.00 58.65 56.50 1wfq h GLN 48 Cb 1.70 0.00 0.06 0.00 -0.05 0.00 0.00 27.48 29.19 1wfq h GLN 48 CO 0.15 0.14 0.57 0.98 -0.95 0.00 0.00 178.83 179.72 1wfq n TYR 49 N -5.02 1.77 0.07 2.96 9.36 -1.22 -2.52 117.16 122.56 1wfq n TYR 49 Ca -0.07 0.52 -0.21 0.00 3.32 0.00 0.00 57.90 61.45 1wfq n TYR 49 Cb 0.10 -2.40 -0.14 0.00 -0.63 0.00 0.00 39.34 36.27 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 5.00 0.70 0.00 2.98 -0.73 -1.70 -3.46 115.58 118.36 1wfq h ASN 50 Ca -0.47 -0.87 0.00 0.00 1.87 0.00 0.00 56.30 56.83 1wfq h ASN 50 Cb 1.31 -0.22 0.00 0.00 0.27 0.00 0.00 38.32 39.68 1wfq h ASN 50 CO 0.81 1.50 0.00 0.61 -0.37 0.00 0.00 177.43 179.98 1wfq n GLY 51 N 1.47 -0.84 3.24 1.57 0.00 -1.26 -5.01 105.19 104.35 1wfq n GLY 51 Ca -0.14 -1.33 -0.35 0.00 0.00 0.00 0.00 46.02 44.20 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 -1.39 4.70 0.34 1.61 3.84 -1.26 -4.97 114.94 117.82 1wfq s ASN 52 Ca 0.00 -0.92 0.26 0.00 0.21 0.00 0.00 52.86 52.41 1wfq s ASN 52 Cb 0.00 -1.74 1.15 0.00 -0.55 0.00 0.00 41.25 40.11 1wfq s ASN 52 CO 0.00 -0.18 1.19 0.18 -2.79 0.00 0.00 177.10 175.49 1wfq n LEU 53 N 4.72 0.14 -0.25 3.21 7.99 -1.26 0.79 117.00 132.35 1wfq n LEU 53 Ca -0.15 1.02 0.01 0.00 -0.01 0.00 0.00 56.01 56.89 1wfq n LEU 53 Cb 0.46 -0.50 0.09 0.00 -0.11 0.00 0.00 43.42 43.36 1wfq n LEU 53 CO 0.28 -1.10 0.72 1.56 -1.51 0.00 0.00 177.39 177.34 1wfq h GLN 54 N 0.00 0.01 -0.40 3.23 1.08 -2.01 0.14 115.11 117.15 1wfq h GLN 54 Ca 0.67 -0.00 -0.14 0.00 -1.45 0.00 0.00 58.65 57.73 1wfq h GLN 54 Cb 2.24 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 29.66 1wfq h GLN 54 CO -0.32 0.00 -0.30 0.22 -0.95 0.00 0.00 178.83 177.48 1wfq h ASP 55 N 0.01 0.92 -4.11 1.46 3.58 -0.04 -3.44 116.42 114.80 1wfq h ASP 55 Ca 0.36 -0.38 -0.52 0.00 0.42 0.00 0.00 57.03 56.90 1wfq h ASP 55 Cb 0.55 -0.26 0.11 0.00 1.72 0.00 0.00 39.33 41.45 1wfq h ASP 55 CO -0.75 1.15 0.45 -0.22 -2.88 0.00 0.00 179.24 177.00 1wfq s LEU 56 N -8.90 3.65 0.31 2.28 2.96 0.47 -5.04 118.68 114.41 1wfq s LEU 56 Ca -0.10 2.32 -0.13 0.00 -0.22 0.00 0.00 54.13 56.00 1wfq s LEU 56 Cb 0.12 -4.59 0.02 0.00 0.50 0.00 0.00 46.19 42.24 1wfq s LEU 56 CO 0.86 -1.56 0.60 -1.59 -1.32 0.00 0.00 176.35 173.35 1wfq s LYS 57 N -3.40 1.85 -0.56 1.98 -2.85 -1.26 -4.92 119.74 110.58 1wfq s LYS 57 Ca 0.76 -1.36 -0.26 0.00 -1.00 0.00 0.00 55.97 54.11 1wfq s LYS 57 Cb -0.28 0.53 0.04 0.00 -2.06 0.00 0.00 37.83 36.05 1wfq s LYS 57 CO 0.33 -0.81 1.05 0.08 0.10 0.00 0.00 175.35 176.09 1wfq s VAL 58 N -3.35 4.23 0.00 1.79 1.01 -1.26 -3.62 120.40 119.20 1wfq s VAL 58 Ca 0.20 0.55 0.00 0.00 0.00 0.00 0.00 61.98 62.73 1wfq s VAL 58 Cb -0.03 -4.62 0.00 0.00 0.00 0.00 0.00 36.38 31.73 1wfq s VAL 58 CO 0.12 -1.21 0.00 0.61 0.00 0.00 0.00 175.10 174.62 1wfq n GLY 59 N 5.09 1.63 3.22 4.51 0.00 -0.86 -4.98 105.19 113.80 1wfq n GLY 59 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.68 2.94 0.38 1.61 1.11 -1.24 -4.92 116.67 114.87 1wfq s ASP 60 Ca 0.00 -0.51 -0.28 0.00 0.18 0.00 0.00 52.55 51.94 1wfq s ASP 60 Cb 0.00 -1.11 -0.11 0.00 1.07 0.00 0.00 42.92 42.77 1wfq s ASP 60 CO 0.00 0.18 1.50 -1.81 1.18 0.00 0.00 175.17 176.22 1wfq s ASP 61 N 0.15 6.29 0.01 0.27 1.11 -1.26 -3.63 116.67 119.61 1wfq s ASP 61 Ca -0.12 3.07 -0.15 0.00 0.18 0.00 0.00 52.55 55.53 1wfq s ASP 61 Cb -0.16 -2.67 0.02 0.00 1.07 0.00 0.00 42.92 41.19 1wfq s ASP 61 CO 0.06 -0.91 0.32 0.68 1.18 0.00 0.00 175.17 176.50 1wfq s VAL 62 N -1.12 0.07 -0.11 -1.27 -7.23 -1.25 -3.52 120.40 105.96 1wfq s VAL 62 Ca 0.53 -0.54 -0.02 0.00 -1.81 0.00 0.00 61.98 60.14 1wfq s VAL 62 Cb -0.47 -0.75 -0.03 0.00 0.56 0.00 0.00 36.38 35.69 1wfq s VAL 62 CO 0.64 -0.30 -0.02 -0.70 -0.31 0.00 0.00 175.10 174.41 1wfq s GLU 63 N -1.80 3.20 0.32 4.82 2.12 0.97 -2.92 118.70 125.41 1wfq s GLU 63 Ca -0.10 -0.46 -0.04 0.00 0.36 0.00 0.00 54.97 54.73 1wfq s GLU 63 Cb -0.03 -2.82 0.00 0.00 0.26 0.00 0.00 34.13 31.54 1wfq s GLU 63 CO 0.01 0.54 0.46 -0.59 -0.54 0.00 0.00 175.26 175.15 1wfq s PHE 64 N -0.44 0.95 -0.13 5.30 -0.71 -0.02 0.51 117.98 123.44 1wfq s PHE 64 Ca 0.07 -1.21 0.01 0.00 -1.04 0.00 0.00 56.93 54.77 1wfq s PHE 64 Cb -0.12 -0.05 0.02 0.00 -1.21 0.00 0.00 43.02 41.65 1wfq s PHE 64 CO 0.02 -1.10 -0.16 -2.00 -1.34 0.00 0.00 175.22 170.65 1wfq s GLU 65 N -3.24 2.37 -0.20 1.99 2.12 -0.93 0.77 118.70 121.58 1wfq s GLU 65 Ca 0.29 -0.60 -0.29 0.00 0.36 0.00 0.00 54.97 54.73 1wfq s GLU 65 Cb -0.00 -2.05 -0.02 0.00 0.26 0.00 0.00 34.13 32.32 1wfq s GLU 65 CO 0.18 -0.12 1.39 0.08 -0.54 0.00 0.00 175.26 176.25 1wfq s VAL 66 N 1.14 4.05 0.33 3.70 1.01 -1.26 -2.11 120.40 127.26 1wfq s VAL 66 Ca -0.03 1.23 0.04 0.00 0.00 0.00 0.00 61.98 63.23 1wfq s VAL 66 Cb -0.14 -3.92 -0.06 0.00 0.00 0.00 0.00 36.38 32.26 1wfq s VAL 66 CO -0.05 -0.24 0.06 -0.44 0.00 0.00 0.00 175.10 174.42 1wfq s SER 67 N 2.77 2.49 -0.19 3.32 0.01 0.05 -4.94 113.70 117.21 1wfq s SER 67 Ca 0.60 -1.39 -0.08 0.00 1.31 0.00 0.00 55.95 56.40 1wfq s SER 67 Cb -0.22 -0.09 -0.04 0.00 0.21 0.00 0.00 66.02 65.87 1wfq s SER 67 CO 0.21 -0.61 0.08 -0.94 0.41 0.00 0.00 173.24 172.40 1wfq s SER 68 N -3.51 5.70 1.20 2.44 1.04 -1.26 -0.63 113.70 118.67 1wfq s SER 68 Ca 0.36 0.08 -0.16 0.00 0.48 0.00 0.00 55.95 56.71 1wfq s SER 68 Cb 0.09 -1.99 0.28 0.00 0.10 0.00 0.00 66.02 64.50 1wfq s SER 68 CO 0.16 0.15 1.04 -0.62 0.98 0.00 0.00 173.24 174.94 1wfq s ASP 69 N 0.53 0.87 0.00 7.02 2.15 -1.01 -4.90 116.67 121.34 1wfq s ASP 69 Ca 0.04 1.08 0.12 0.00 0.43 0.00 0.00 52.55 54.22 1wfq s ASP 69 Cb -0.13 -1.63 0.12 0.00 -0.30 0.00 0.00 42.92 40.98 1wfq s ASP 69 CO 0.01 -4.21 0.93 0.54 -0.17 0.00 0.00 175.17 172.27 1wfq n ARG 70 N -4.88 0.93 0.00 4.34 5.12 -1.26 -3.61 116.66 117.30 1wfq n ARG 70 Ca 0.07 -1.32 0.00 0.00 -1.93 0.00 0.00 57.85 54.67 1wfq n ARG 70 Cb 0.57 -1.24 0.00 0.00 -1.16 0.00 0.00 32.46 30.64 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 0.67 0.00 -0.00 5.56 5.12 -1.26 -4.81 116.66 121.93 1wfq n ARG 71 Ca 0.08 0.00 0.08 0.00 -1.93 0.00 0.00 57.85 56.07 1wfq n ARG 71 Cb 0.32 -0.62 -0.11 0.00 -1.16 0.00 0.00 32.46 30.89 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 -2.87 0.00 -1.43 0.55 -2.24 -1.26 -4.98 114.28 102.05 1wfq n THR 72 Ca 0.00 -0.24 -0.15 0.00 -2.27 0.00 0.00 64.05 61.39 1wfq n THR 72 Cb 0.50 0.61 -0.06 0.00 -2.10 0.00 0.00 70.33 69.27 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 1.46 1.44 3.86 3.38 0.00 -1.24 -4.92 105.19 109.17 1wfq n GLY 73 Ca 0.00 -0.03 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 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 -3.25 3.91 -0.68 1.61 -0.14 -1.26 -4.40 119.74 115.52 1wfq s LYS 74 Ca 0.00 0.64 -0.26 0.00 -1.36 0.00 0.00 55.97 54.99 1wfq s LYS 74 Cb 0.00 -2.37 -0.03 0.00 -1.68 0.00 0.00 37.83 33.75 1wfq s LYS 74 CO 0.00 0.02 1.89 -1.25 -0.76 0.00 0.00 175.35 175.24 1wfq s PRO 75 N -3.48 2.60 0.36 -1.68 0.04 -1.26 -2.39 135.00 129.19 1wfq s PRO 75 Ca 0.54 0.39 0.07 0.00 0.04 0.00 0.00 61.00 62.04 1wfq s PRO 75 Cb -0.10 -4.56 -0.02 0.00 0.04 0.00 0.00 34.50 29.86 1wfq s PRO 75 CO 0.25 -2.90 0.34 0.96 0.04 0.00 0.00 177.00 175.68 1wfq s ILE 76 N 9.36 3.32 0.07 0.56 -4.36 0.20 -4.63 121.20 125.72 1wfq s ILE 76 Ca 0.68 -1.32 -0.09 0.00 -0.26 0.00 0.00 60.65 59.66 1wfq s ILE 76 Cb -0.11 -3.14 -0.06 0.00 1.25 0.00 0.00 42.46 40.40 1wfq s ILE 76 CO 0.15 -0.12 0.38 0.00 0.24 0.00 0.00 174.94 175.59 1wfq s ALA 77 N -2.34 3.75 0.12 2.27 0.00 -1.16 -0.77 121.76 123.62 1wfq s ALA 77 Ca 0.44 -0.41 -0.06 0.00 0.00 0.00 0.00 51.96 51.92 1wfq s ALA 77 Cb -0.06 -2.23 -0.02 0.00 0.00 0.00 0.00 23.12 20.81 1wfq s ALA 77 CO 0.27 0.58 0.16 0.14 0.00 0.00 0.00 175.76 176.92 1wfq s VAL 78 N -1.38 0.12 -1.43 0.00 -7.23 -0.90 -4.31 120.40 105.27 1wfq s VAL 78 Ca 0.32 -1.50 -0.04 0.00 -1.81 0.00 0.00 61.98 58.95 1wfq s VAL 78 Cb -0.14 -1.69 0.00 0.00 0.56 0.00 0.00 36.38 35.11 1wfq s VAL 78 CO 0.18 -0.54 0.30 0.29 -0.31 0.00 0.00 175.10 175.01 1wfq n LYS 79 N -0.10 -2.00 -1.84 4.82 4.76 -1.24 -2.18 118.16 120.37 1wfq n LYS 79 Ca -0.10 0.26 -0.35 0.00 -2.87 0.00 0.00 58.31 55.24 1wfq n LYS 79 Cb 0.63 -3.97 0.05 0.00 -1.84 0.00 0.00 35.03 29.90 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 -7.14 3.56 -0.30 -0.35 2.96 -1.05 -4.58 118.68 111.78 1wfq s LEU 80 Ca 0.07 2.37 -0.09 0.00 -0.22 0.00 0.00 54.13 56.26 1wfq s LEU 80 Cb -0.03 -4.59 0.15 0.00 0.50 0.00 0.00 46.19 42.21 1wfq s LEU 80 CO 0.94 -1.78 0.67 0.68 -1.32 0.00 0.00 176.35 175.54 1wfq s VAL 81 N -1.72 -0.95 0.14 1.68 -7.23 0.18 -2.09 120.40 110.41 1wfq s VAL 81 Ca 0.76 0.00 -0.33 0.00 -1.81 0.00 0.00 61.98 60.60 1wfq s VAL 81 Cb -0.30 -1.00 -0.13 0.00 0.56 0.00 0.00 36.38 35.51 1wfq s VAL 81 CO 0.37 0.00 1.65 1.17 -0.31 0.00 0.00 175.10 177.97 1wfq n LYS 82 N 5.41 2.28 0.33 4.82 4.81 -1.26 -0.02 118.16 134.52 1wfq n LYS 82 Ca -0.09 0.82 -0.13 0.00 -0.87 0.00 0.00 58.31 58.04 1wfq n LYS 82 Cb 0.50 -2.62 -0.06 0.00 0.02 0.00 0.00 35.03 32.87 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 3.90 0.00 -2.80 3.15 2.04 -1.87 -3.45 117.51 118.48 1wfq h ILE 83 Ca -0.45 -0.16 -0.42 0.00 1.00 0.00 0.00 64.86 64.83 1wfq h ILE 83 Cb 1.25 0.00 0.22 0.00 -0.74 0.00 0.00 36.82 37.55 1wfq h ILE 83 CO 0.91 0.00 -0.36 -0.24 0.00 0.00 0.00 178.15 178.45 1wfq n SER 84 N -4.75 -2.37 0.00 1.72 2.88 -1.26 -4.99 113.62 104.85 1wfq n SER 84 Ca -0.11 -0.28 0.00 0.00 -1.33 0.00 0.00 58.87 57.15 1wfq n SER 84 Cb 0.34 -1.11 0.00 0.00 -0.75 0.00 0.00 64.21 62.69 1wfq n SER 84 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wfq n GLY 85 N 1.51 -0.72 3.58 0.46 0.00 -1.26 -5.10 105.19 103.65 1wfq n GLY 85 Ca 0.03 0.22 -0.41 0.00 0.00 0.00 0.00 46.02 45.86 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 3.06 0.73 1.61 0.04 -1.26 -4.99 135.00 134.19 1wfq s PRO 86 Ca 0.00 1.00 -0.08 0.00 0.04 0.00 0.00 61.00 61.97 1wfq s PRO 86 Cb 0.00 -4.26 0.07 0.00 0.04 0.00 0.00 34.50 30.35 1wfq s PRO 86 CO 0.00 -2.19 1.05 -1.54 0.04 0.00 0.00 177.00 174.36 1wfq s SER 87 N 6.65 4.72 0.29 6.66 1.04 -1.26 -5.10 113.70 126.70 1wfq s SER 87 Ca 0.72 0.50 0.09 0.00 0.48 0.00 0.00 55.95 57.74 1wfq s SER 87 Cb -0.17 -1.11 -0.04 0.00 0.10 0.00 0.00 66.02 64.80 1wfq s SER 87 CO 0.28 -1.68 0.07 -0.55 0.98 0.00 0.00 173.24 172.34 1wfq s SER 88 N -4.54 4.70 0.00 7.02 0.15 -1.26 -5.35 113.70 114.42 1wfq s SER 88 Ca 0.61 -0.65 0.00 0.00 0.70 0.00 0.00 55.95 56.61 1wfq s SER 88 Cb -0.11 -0.86 0.00 0.00 -1.71 0.00 0.00 66.02 63.34 1wfq s SER 88 CO 0.46 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 175.39