#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 2.31 -0.49 1.61 0.15 -1.26 -5.07 113.70 110.95 1wfq s SER 2 Ca 0.00 -0.40 -0.26 0.00 0.70 0.00 0.00 55.95 55.98 1wfq s SER 2 Cb 0.00 -1.05 -0.08 0.00 -1.71 0.00 0.00 66.02 63.19 1wfq s SER 2 CO 0.00 0.05 2.42 -1.54 1.20 0.00 0.00 173.24 175.37 1wfq n SER 3 N 3.91 2.29 -4.74 5.45 3.41 -1.26 -4.92 113.62 117.76 1wfq n SER 3 Ca -0.21 -0.42 -0.41 0.00 -0.26 0.00 0.00 58.87 57.58 1wfq n SER 3 Cb 0.52 -1.55 -0.05 0.00 -0.26 0.00 0.00 64.21 62.87 1wfq n SER 3 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1wfq s GLY 4 N 11.78 3.01 -0.70 5.00 0.00 -1.26 -5.01 107.32 120.14 1wfq s GLY 4 Ca 1.00 0.67 0.03 0.00 0.00 0.00 0.00 44.72 46.43 1wfq s GLY 4 CO 0.28 1.43 0.50 -0.56 0.00 0.00 0.00 173.10 174.75 1wfq s SER 5 N -0.47 4.98 -0.36 1.64 0.01 -1.26 -5.05 113.70 113.19 1wfq s SER 5 Ca 0.45 -3.62 -0.11 0.00 1.31 0.00 0.00 55.95 53.98 1wfq s SER 5 Cb -0.26 -1.70 0.01 0.00 0.21 0.00 0.00 66.02 64.28 1wfq s SER 5 CO 0.33 -0.15 0.20 -0.44 0.41 0.00 0.00 173.24 173.59 1wfq s SER 6 N -0.88 5.71 0.51 2.44 0.01 -1.26 -4.97 113.70 115.27 1wfq s SER 6 Ca 0.23 -0.82 0.00 0.00 1.31 0.00 0.00 55.95 56.67 1wfq s SER 6 Cb -0.10 -2.03 0.00 0.00 0.21 0.00 0.00 66.02 64.10 1wfq s SER 6 CO -0.12 -0.33 0.00 0.61 0.41 0.00 0.00 173.24 173.81 1wfq n GLY 7 N 5.01 1.10 0.00 3.44 0.00 -1.26 -4.79 105.19 108.69 1wfq n GLY 7 Ca -0.12 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.56 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 0.88 3.94 -0.02 0.00 -1.26 -5.04 105.19 103.69 1wfq n GLY 8 Ca 0.00 -0.82 -0.25 0.00 0.00 0.00 0.00 46.02 44.95 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 -1.93 3.48 0.38 1.61 -0.85 -1.26 -3.93 117.35 114.85 1wfq s TYR 9 Ca 0.00 0.30 -0.26 0.00 -0.52 0.00 0.00 57.07 56.59 1wfq s TYR 9 Cb 0.00 -1.84 -0.09 0.00 0.38 0.00 0.00 41.96 40.41 1wfq s TYR 9 CO 0.00 0.26 1.20 -1.25 -1.52 0.00 0.00 175.55 174.24 1wfq s PRO 10 N -3.89 4.14 -0.30 -3.49 0.04 -1.26 -5.04 135.00 125.19 1wfq s PRO 10 Ca 0.39 1.93 -0.40 0.00 0.04 0.00 0.00 61.00 62.96 1wfq s PRO 10 Cb -0.10 -2.79 -0.15 0.00 0.04 0.00 0.00 34.50 31.49 1wfq s PRO 10 CO 0.32 -0.27 1.83 0.27 0.04 0.00 0.00 177.00 179.19 1wfq n ASN 11 N 0.30 2.28 0.00 6.66 0.23 -1.25 -4.84 115.26 118.63 1wfq n ASN 11 Ca 0.03 0.97 0.00 0.00 -0.53 0.00 0.00 54.58 55.05 1wfq n ASN 11 Cb 0.45 -1.14 0.00 0.00 -2.08 0.00 0.00 39.78 37.01 1wfq n ASN 11 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1wfq n GLY 12 N 4.69 4.70 3.87 4.83 0.00 -1.26 -5.16 105.19 116.86 1wfq n GLY 12 Ca 0.30 -0.53 -0.31 0.00 0.00 0.00 0.00 46.02 45.48 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 0.95 4.66 1.08 2.61 -4.23 -1.26 -5.03 115.64 114.42 1wfq s THR 13 Ca 0.00 0.86 -0.18 0.00 -1.18 0.00 0.00 61.69 61.18 1wfq s THR 13 Cb 0.00 -3.85 0.10 0.00 1.34 0.00 0.00 72.50 70.09 1wfq s THR 13 CO 0.00 -1.13 -0.05 -1.20 -0.54 0.00 0.00 174.62 171.71 1wfq n SER 14 N -2.76 -2.65 -3.38 3.99 7.64 -1.26 -4.96 113.62 110.24 1wfq n SER 14 Ca 0.06 -0.21 -0.28 0.00 1.01 0.00 0.00 58.87 59.45 1wfq n SER 14 Cb 0.54 -0.85 0.25 0.00 -1.01 0.00 0.00 64.21 63.14 1wfq n SER 14 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wfq n ALA 15 N -4.37 -3.80 -1.78 -0.43 0.00 -1.26 -5.03 120.51 103.84 1wfq n ALA 15 Ca 0.02 -1.48 -0.29 0.00 0.00 0.00 0.00 53.44 51.69 1wfq n ALA 15 Cb 0.56 -0.11 0.11 0.00 0.00 0.00 0.00 19.45 20.00 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 -2.69 2.35 -0.24 0.00 0.00 -1.26 -5.10 121.76 114.83 1wfq s ALA 16 Ca 0.64 -0.62 -0.27 0.00 0.00 0.00 0.00 51.96 51.71 1wfq s ALA 16 Cb -0.08 -2.98 0.14 0.00 0.00 0.00 0.00 23.12 20.20 1wfq s ALA 16 CO 0.51 -1.90 1.13 -0.48 0.00 0.00 0.00 175.76 175.02 1wfq s LEU 17 N -5.74 -0.30 -0.18 0.00 -0.00 -1.26 -5.13 118.68 106.06 1wfq s LEU 17 Ca 0.63 0.47 -0.29 0.00 -0.00 0.00 0.00 54.13 54.94 1wfq s LEU 17 Cb -0.12 1.65 -0.00 0.00 -0.00 0.00 0.00 46.19 47.71 1wfq s LEU 17 CO 0.50 -0.18 1.14 -0.13 -0.00 0.00 0.00 176.35 177.68 1wfq s ARG 18 N -0.45 4.27 0.22 1.48 1.81 -1.26 -4.60 118.95 120.42 1wfq s ARG 18 Ca 0.03 1.51 -0.01 0.00 -1.72 0.00 0.00 55.73 55.53 1wfq s ARG 18 Cb -0.03 -3.67 -0.04 0.00 -0.45 0.00 0.00 34.95 30.75 1wfq s ARG 18 CO -0.05 -0.62 0.43 -1.21 -0.68 0.00 0.00 175.30 173.17 1wfq s GLU 19 N 3.14 3.54 0.05 3.54 0.41 0.20 -4.84 118.70 124.74 1wfq s GLU 19 Ca 0.50 -0.28 0.08 0.00 -0.41 0.00 0.00 54.97 54.86 1wfq s GLU 19 Cb -0.19 -2.80 -0.03 0.00 -1.78 0.00 0.00 34.13 29.34 1wfq s GLU 19 CO 0.12 0.36 -0.23 0.95 -0.49 0.00 0.00 175.26 175.96 1wfq s THR 20 N -1.93 1.85 0.00 3.63 -4.23 -1.26 -0.32 115.64 113.39 1wfq s THR 20 Ca 0.39 -1.31 0.00 0.00 -1.18 0.00 0.00 61.69 59.60 1wfq s THR 20 Cb -0.11 -1.61 0.00 0.00 1.34 0.00 0.00 72.50 72.13 1wfq s THR 20 CO 0.29 0.24 0.00 0.61 -0.54 0.00 0.00 174.62 175.22 1wfq n GLY 21 N 1.73 4.15 3.40 3.99 0.00 -1.14 -3.02 105.19 114.30 1wfq n GLY 21 Ca -0.17 -0.36 -0.12 0.00 0.00 0.00 0.00 46.02 45.37 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 1.79 -0.01 -0.81 1.61 0.11 -1.03 -3.90 120.40 118.17 1wfq s VAL 22 Ca 0.00 0.02 -0.25 0.00 -2.93 0.00 0.00 61.98 58.82 1wfq s VAL 22 Cb 0.00 -0.71 -0.05 0.00 -1.53 0.00 0.00 36.38 34.09 1wfq s VAL 22 CO 0.00 0.01 1.97 -0.63 -3.33 0.00 0.00 175.10 173.12 1wfq s ILE 23 N 0.64 3.38 0.16 7.04 -1.09 -1.12 0.10 121.20 130.31 1wfq s ILE 23 Ca -0.03 -0.20 -0.09 0.00 -2.23 0.00 0.00 60.65 58.10 1wfq s ILE 23 Cb -0.05 -3.89 -0.03 0.00 -1.58 0.00 0.00 42.46 36.91 1wfq s ILE 23 CO -0.04 -0.84 1.50 -0.08 -1.23 0.00 0.00 174.94 174.24 1wfq h GLU 24 N 12.50 0.90 -3.89 2.79 4.57 -1.81 0.32 114.58 129.95 1wfq h GLU 24 Ca -0.00 -0.46 -0.13 0.00 -1.18 0.00 0.00 59.36 57.58 1wfq h GLU 24 Cb 1.05 0.01 -0.18 0.00 -0.16 0.00 0.00 28.75 29.47 1wfq h GLU 24 CO 1.20 1.11 -0.58 0.21 -1.18 0.00 0.00 179.01 179.77 1wfq s LYS 25 N -4.40 0.54 -0.11 1.92 2.36 -1.17 -4.84 119.74 114.03 1wfq s LYS 25 Ca -0.11 -0.79 -0.08 0.00 -2.55 0.00 0.00 55.97 52.45 1wfq s LYS 25 Cb 0.11 0.20 0.04 0.00 -1.05 0.00 0.00 37.83 37.13 1wfq s LYS 25 CO 0.87 -0.12 0.28 -1.17 1.55 0.00 0.00 175.35 176.76 1wfq s LEU 26 N -2.09 0.69 0.00 5.43 2.96 -1.26 0.50 118.68 124.89 1wfq s LEU 26 Ca -0.06 0.58 0.02 0.00 -0.22 0.00 0.00 54.13 54.45 1wfq s LEU 26 Cb -0.02 0.93 -0.01 0.00 0.50 0.00 0.00 46.19 47.60 1wfq s LEU 26 CO -0.05 -0.13 0.06 0.18 -1.32 0.00 0.00 176.35 175.09 1wfq n LEU 27 N 3.43 0.00 0.10 -0.68 4.32 0.32 -4.94 117.00 119.54 1wfq n LEU 27 Ca -0.17 -1.67 -0.03 0.00 -0.02 0.00 0.00 56.01 54.11 1wfq n LEU 27 Cb 0.56 0.45 -0.02 0.00 -1.62 0.00 0.00 43.42 42.79 1wfq n LEU 27 CO 0.15 -0.25 0.31 0.74 -1.22 0.00 0.00 177.39 177.12 1wfq h THR 28 N 1.30 1.42 0.08 -5.08 2.02 -2.04 -3.34 112.91 107.27 1wfq h THR 28 Ca -0.19 -2.83 -0.36 0.00 0.77 0.00 0.00 66.41 63.80 1wfq h THR 28 Cb 0.66 2.59 -0.03 0.00 -1.74 0.00 0.00 68.15 69.62 1wfq h THR 28 CO 0.30 0.77 -2.06 -1.20 0.37 0.00 0.00 175.52 173.70 1wfq n SER 29 N -3.39 2.07 -2.18 4.18 7.64 -1.26 -5.00 113.62 115.68 1wfq n SER 29 Ca 0.00 0.16 -0.05 0.00 1.01 0.00 0.00 58.87 59.99 1wfq n SER 29 Cb 0.82 -0.77 0.02 0.00 -1.01 0.00 0.00 64.21 63.26 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 -3.55 -1.71 -3.96 1.43 0.18 -1.25 -2.99 117.16 105.30 1wfq n TYR 30 Ca -0.36 -1.10 -0.10 0.00 1.88 0.00 0.00 57.90 58.23 1wfq n TYR 30 Cb 1.00 0.55 -0.07 0.00 -0.38 0.00 0.00 39.34 40.44 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 -2.41 0.50 0.18 -7.48 0.00 -0.16 0.12 107.32 98.07 1wfq s GLY 31 Ca 0.11 -0.89 0.06 0.00 0.00 0.00 0.00 44.72 44.00 1wfq s GLY 31 CO 0.07 -0.80 0.10 -1.36 0.00 0.00 0.00 173.10 171.10 1wfq s PHE 32 N -3.98 3.03 -0.16 1.90 0.40 0.18 -0.07 117.98 119.29 1wfq s PHE 32 Ca 0.19 -0.07 -0.03 0.00 -0.60 0.00 0.00 56.93 56.42 1wfq s PHE 32 Cb 0.03 -1.44 0.05 0.00 0.51 0.00 0.00 43.02 42.16 1wfq s PHE 32 CO 0.02 0.52 0.03 0.42 0.70 0.00 0.00 175.22 176.91 1wfq s ILE 33 N -1.81 0.42 -0.89 0.64 1.01 0.05 -2.42 121.20 118.20 1wfq s ILE 33 Ca 0.30 -0.32 -0.25 0.00 0.00 0.00 0.00 60.65 60.39 1wfq s ILE 33 Cb -0.09 -0.84 0.04 0.00 0.01 0.00 0.00 42.46 41.58 1wfq s ILE 33 CO 0.22 -0.08 1.38 -1.58 0.00 0.00 0.00 174.94 174.89 1wfq s GLN 34 N 1.92 3.38 0.14 2.79 2.00 0.29 0.29 119.66 130.46 1wfq s GLN 34 Ca 0.01 -0.68 -0.33 0.00 -2.00 0.00 0.00 55.36 52.36 1wfq s GLN 34 Cb -0.16 -4.80 -0.17 0.00 0.80 0.00 0.00 33.01 28.68 1wfq s GLN 34 CO -0.07 -2.21 0.88 0.00 -0.50 0.00 0.00 175.29 173.39 1wfq n SER 36 N 1.81 2.71 -0.07 0.00 7.64 -1.17 -2.44 113.62 122.10 1wfq n SER 36 Ca 0.17 -1.88 -0.10 0.00 1.01 0.00 0.00 58.87 58.08 1wfq n SER 36 Cb 0.20 -0.07 -0.06 0.00 -1.01 0.00 0.00 64.21 63.27 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 1.07 0.32 0.00 1.43 1.02 -1.26 -4.64 120.64 118.58 1wfq n GLU 37 Ca 0.16 0.08 0.10 0.00 -0.02 0.00 0.00 57.16 57.48 1wfq n GLU 37 Cb 0.53 -1.22 0.05 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 -2.98 1.65 -3.87 3.49 1.85 -1.26 -4.99 116.66 110.56 1wfq n ARG 38 Ca -0.23 -1.42 -0.25 0.00 -1.00 0.00 0.00 57.85 54.95 1wfq n ARG 38 Cb 0.74 -1.37 0.01 0.00 -1.05 0.00 0.00 32.46 30.79 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 0.72 -4.25 -4.51 2.89 3.00 -1.02 -4.98 117.38 109.24 1wfq n GLN 39 Ca 0.10 0.51 -0.23 0.00 -0.01 0.00 0.00 57.00 57.38 1wfq n GLN 39 Cb 0.46 -4.96 -0.14 0.00 0.00 0.00 0.00 30.24 25.59 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 -3.70 1.42 -0.69 -1.58 0.00 -1.22 -4.92 121.76 111.06 1wfq s ALA 40 Ca 0.15 -0.90 -0.25 0.00 0.00 0.00 0.00 51.96 50.97 1wfq s ALA 40 Cb -0.08 -0.26 0.05 0.00 0.00 0.00 0.00 23.12 22.83 1wfq s ALA 40 CO 0.85 0.30 1.11 1.03 0.00 0.00 0.00 175.76 179.05 1wfq s ARG 41 N -1.06 3.16 0.68 0.00 0.52 -1.26 0.50 118.95 121.49 1wfq s ARG 41 Ca 0.04 -0.53 -0.07 0.00 -0.52 0.00 0.00 55.73 54.66 1wfq s ARG 41 Cb -0.08 -4.20 0.05 0.00 0.52 0.00 0.00 34.95 31.24 1wfq s ARG 41 CO 0.01 -1.96 1.00 -0.51 0.02 0.00 0.00 175.30 173.86 1wfq s LEU 42 N 4.83 2.92 -0.26 2.53 1.43 0.14 -4.87 118.68 125.40 1wfq s LEU 42 Ca 0.29 0.57 0.01 0.00 -1.03 0.00 0.00 54.13 53.96 1wfq s LEU 42 Cb -0.13 -3.27 0.07 0.00 0.03 0.00 0.00 46.19 42.90 1wfq s LEU 42 CO 0.13 -1.46 -0.00 0.12 0.23 0.00 0.00 176.35 175.37 1wfq s PHE 43 N -3.20 2.38 -0.11 0.29 5.36 -1.26 -0.77 117.98 120.67 1wfq s PHE 43 Ca 0.58 -1.88 -0.06 0.00 -0.96 0.00 0.00 56.93 54.62 1wfq s PHE 43 Cb -0.11 -1.77 -0.04 0.00 -0.34 0.00 0.00 43.02 40.76 1wfq s PHE 43 CO 0.45 -0.81 0.11 -0.59 -1.46 0.00 0.00 175.22 172.92 1wfq s PHE 44 N 1.39 3.50 0.02 10.12 -0.71 0.90 -2.84 117.98 130.37 1wfq s PHE 44 Ca -0.00 0.45 -0.14 0.00 -1.04 0.00 0.00 56.93 56.20 1wfq s PHE 44 Cb -0.18 -1.90 -0.06 0.00 -1.21 0.00 0.00 43.02 39.66 1wfq s PHE 44 CO -0.10 0.68 0.42 -1.58 -1.34 0.00 0.00 175.22 173.30 1wfq s HIS 45 N -1.01 3.71 0.09 3.49 2.46 -1.26 -0.99 115.29 121.79 1wfq s HIS 45 Ca 0.15 0.99 0.17 0.00 0.47 0.00 0.00 55.06 56.84 1wfq s HIS 45 Cb -0.12 -2.29 0.92 0.00 -0.13 0.00 0.00 32.58 30.96 1wfq s HIS 45 CO 0.04 0.62 1.44 0.00 -2.47 0.00 0.00 174.74 174.37 1wfq h SER 47 N 0.00 0.12 -0.03 0.00 0.02 -1.92 -3.33 113.55 108.41 1wfq h SER 47 Ca 0.00 -0.13 -0.00 0.00 -0.84 0.00 0.00 61.79 60.82 1wfq h SER 47 Cb 0.54 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 63.04 1wfq h SER 47 CO 0.00 1.10 0.01 1.56 -1.14 0.00 0.00 176.83 178.37 1wfq h GLN 48 N 0.02 0.04 -6.37 3.45 1.08 -0.45 -3.43 115.11 109.44 1wfq h GLN 48 Ca -0.07 -0.01 -0.63 0.00 -1.45 0.00 0.00 58.65 56.50 1wfq h GLN 48 Cb 1.84 -0.01 0.05 0.00 -0.05 0.00 0.00 27.48 29.31 1wfq h GLN 48 CO 0.15 0.18 0.75 0.98 -0.95 0.00 0.00 178.83 179.94 1wfq n TYR 49 N -4.99 2.04 0.05 2.96 9.36 -1.22 -2.55 117.16 122.82 1wfq n TYR 49 Ca -0.07 0.36 -0.11 0.00 3.32 0.00 0.00 57.90 61.40 1wfq n TYR 49 Cb 0.10 -2.49 -0.13 0.00 -0.63 0.00 0.00 39.34 36.19 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 6.10 0.16 0.00 2.98 -0.73 -1.75 -3.46 115.58 118.88 1wfq h ASN 50 Ca -0.46 -0.20 0.00 0.00 1.87 0.00 0.00 56.30 57.51 1wfq h ASN 50 Cb 1.29 -0.05 0.00 0.00 0.27 0.00 0.00 38.32 39.82 1wfq h ASN 50 CO 0.87 1.16 0.00 0.61 -0.37 0.00 0.00 177.43 179.70 1wfq n GLY 51 N 1.49 -0.75 2.80 1.57 0.00 -1.26 -5.03 105.19 104.01 1wfq n GLY 51 Ca -0.08 -0.57 -0.28 0.00 0.00 0.00 0.00 46.02 45.09 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 -1.39 3.12 0.30 1.61 4.22 -1.26 -5.02 114.94 116.52 1wfq s ASN 52 Ca 0.00 -0.89 0.01 0.00 -2.14 0.00 0.00 52.86 49.84 1wfq s ASN 52 Cb 0.00 -0.76 0.71 0.00 1.28 0.00 0.00 41.25 42.47 1wfq s ASN 52 CO 0.00 -0.28 1.53 0.18 -2.04 0.00 0.00 177.10 176.49 1wfq n LEU 53 N 4.94 -0.14 -0.32 3.54 7.99 -1.26 0.10 117.00 131.85 1wfq n LEU 53 Ca -0.10 1.66 0.20 0.00 -0.01 0.00 0.00 56.01 57.76 1wfq n LEU 53 Cb 0.46 -0.59 0.41 0.00 -0.11 0.00 0.00 43.42 43.59 1wfq n LEU 53 CO 0.14 -1.67 1.01 0.06 -1.51 0.00 0.00 177.39 175.42 1wfq h GLN 54 N 0.00 0.18 -0.08 3.23 3.07 -1.99 0.80 115.11 120.32 1wfq h GLN 54 Ca 0.58 -0.01 -0.18 0.00 0.09 0.00 0.00 58.65 59.12 1wfq h GLN 54 Cb 1.15 -0.04 -0.01 0.00 0.08 0.00 0.00 27.48 28.67 1wfq h GLN 54 CO -0.93 0.12 -0.72 0.22 0.09 0.00 0.00 178.83 177.62 1wfq h ASP 55 N 0.19 0.47 -4.09 0.06 3.58 0.27 -3.45 116.42 113.44 1wfq h ASP 55 Ca 0.67 -0.30 -0.50 0.00 0.42 0.00 0.00 57.03 57.32 1wfq h ASP 55 Cb 1.52 -0.14 0.17 0.00 1.72 0.00 0.00 39.33 42.60 1wfq h ASP 55 CO -0.69 1.04 0.23 -0.22 -2.88 0.00 0.00 179.24 176.71 1wfq s LEU 56 N -7.96 2.46 0.10 2.28 2.96 0.28 -5.06 118.68 113.74 1wfq s LEU 56 Ca -0.06 1.81 -0.25 0.00 -0.22 0.00 0.00 54.13 55.41 1wfq s LEU 56 Cb 0.11 -4.22 0.08 0.00 0.50 0.00 0.00 46.19 42.66 1wfq s LEU 56 CO 0.84 -2.84 0.70 -1.59 -1.32 0.00 0.00 176.35 172.14 1wfq s LYS 57 N -4.77 1.12 -0.15 1.98 -2.85 -1.26 -4.96 119.74 108.84 1wfq s LYS 57 Ca 0.65 -0.40 -0.29 0.00 -1.00 0.00 0.00 55.97 54.93 1wfq s LYS 57 Cb -0.20 0.51 -0.02 0.00 -2.06 0.00 0.00 37.83 36.07 1wfq s LYS 57 CO 0.58 -0.49 1.28 0.08 0.10 0.00 0.00 175.35 176.91 1wfq s VAL 58 N -3.47 4.24 0.00 1.79 1.01 -1.26 -3.36 120.40 119.34 1wfq s VAL 58 Ca 0.02 1.50 0.00 0.00 0.00 0.00 0.00 61.98 63.50 1wfq s VAL 58 Cb -0.01 -3.97 0.00 0.00 0.00 0.00 0.00 36.38 32.40 1wfq s VAL 58 CO -0.11 -0.13 0.00 0.61 0.00 0.00 0.00 175.10 175.47 1wfq n GLY 59 N 3.63 1.52 3.31 4.51 0.00 0.10 -4.98 105.19 113.28 1wfq n GLY 59 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 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 3.01 0.43 1.61 1.11 -1.21 -4.89 116.67 114.73 1wfq s ASP 60 Ca 0.00 -0.50 -0.24 0.00 0.18 0.00 0.00 52.55 51.99 1wfq s ASP 60 Cb 0.00 -0.32 -0.08 0.00 1.07 0.00 0.00 42.92 43.60 1wfq s ASP 60 CO 0.00 0.29 1.20 -1.81 1.18 0.00 0.00 175.17 176.03 1wfq s ASP 61 N -0.78 6.28 -0.18 0.27 1.01 -1.26 -2.80 116.67 119.22 1wfq s ASP 61 Ca 0.10 2.40 -0.21 0.00 0.71 0.00 0.00 52.55 55.55 1wfq s ASP 61 Cb -0.10 -2.61 0.06 0.00 1.01 0.00 0.00 42.92 41.27 1wfq s ASP 61 CO -0.00 -0.85 0.57 0.68 0.21 0.00 0.00 175.17 175.78 1wfq s VAL 62 N -1.43 0.00 -0.11 -1.27 -7.23 -1.25 -3.83 120.40 105.28 1wfq s VAL 62 Ca 0.60 -0.04 -0.10 0.00 -1.81 0.00 0.00 61.98 60.63 1wfq s VAL 62 Cb -0.32 -0.81 -0.05 0.00 0.56 0.00 0.00 36.38 35.76 1wfq s VAL 62 CO 0.39 -0.02 0.23 -0.70 -0.31 0.00 0.00 175.10 174.69 1wfq s GLU 63 N -0.04 3.81 0.32 4.82 2.12 0.73 -2.86 118.70 127.59 1wfq s GLU 63 Ca -0.03 0.03 -0.04 0.00 0.36 0.00 0.00 54.97 55.29 1wfq s GLU 63 Cb -0.04 -3.27 -0.00 0.00 0.26 0.00 0.00 34.13 31.08 1wfq s GLU 63 CO 0.02 0.59 0.46 -0.59 -0.54 0.00 0.00 175.26 175.20 1wfq s PHE 64 N -0.56 0.95 -0.16 5.30 -0.71 0.57 0.33 117.98 123.70 1wfq s PHE 64 Ca 0.16 -1.21 0.01 0.00 -1.04 0.00 0.00 56.93 54.86 1wfq s PHE 64 Cb -0.13 -0.06 0.02 0.00 -1.21 0.00 0.00 43.02 41.64 1wfq s PHE 64 CO 0.05 -1.09 -0.19 -2.00 -1.34 0.00 0.00 175.22 170.65 1wfq s GLU 65 N -3.26 2.78 -0.07 1.99 2.12 -0.60 0.58 118.70 122.25 1wfq s GLU 65 Ca 0.30 -0.75 -0.30 0.00 0.36 0.00 0.00 54.97 54.58 1wfq s GLU 65 Cb -0.00 -2.38 -0.04 0.00 0.26 0.00 0.00 34.13 31.97 1wfq s GLU 65 CO 0.18 -0.16 1.32 0.08 -0.54 0.00 0.00 175.26 176.14 1wfq s VAL 66 N 1.20 4.04 0.39 3.70 1.01 -1.26 -1.42 120.40 128.05 1wfq s VAL 66 Ca 0.01 1.34 0.05 0.00 0.00 0.00 0.00 61.98 63.39 1wfq s VAL 66 Cb -0.14 -3.86 -0.02 0.00 0.00 0.00 0.00 36.38 32.35 1wfq s VAL 66 CO -0.09 -0.05 0.19 -0.55 0.00 0.00 0.00 175.10 174.60 1wfq s SER 67 N 1.92 2.42 -0.09 3.32 0.15 0.64 -4.95 113.70 117.12 1wfq s SER 67 Ca 0.60 -1.72 0.02 0.00 0.70 0.00 0.00 55.95 55.54 1wfq s SER 67 Cb -0.27 0.56 -0.02 0.00 -1.71 0.00 0.00 66.02 64.58 1wfq s SER 67 CO 0.22 -1.00 -0.15 -0.44 1.20 0.00 0.00 173.24 173.07 1wfq s SER 68 N -3.53 3.91 1.16 5.45 0.01 -1.26 -0.47 113.70 118.97 1wfq s SER 68 Ca 0.29 -0.29 -0.18 0.00 1.31 0.00 0.00 55.95 57.08 1wfq s SER 68 Cb 0.02 -1.21 0.27 0.00 0.21 0.00 0.00 66.02 65.31 1wfq s SER 68 CO 0.19 0.25 1.12 -0.62 0.41 0.00 0.00 173.24 174.59 1wfq s ASP 69 N -0.16 1.30 0.00 2.44 2.15 -1.08 -4.84 116.67 116.49 1wfq s ASP 69 Ca -0.01 0.69 0.12 0.00 0.43 0.00 0.00 52.55 53.78 1wfq s ASP 69 Cb -0.14 -0.99 -0.10 0.00 -0.30 0.00 0.00 42.92 41.40 1wfq s ASP 69 CO 0.03 -3.89 0.57 0.54 -0.17 0.00 0.00 175.17 172.25 1wfq n ARG 70 N -4.62 2.75 -0.03 4.34 5.12 -1.26 -2.96 116.66 120.01 1wfq n ARG 70 Ca 0.12 -0.19 -0.02 0.00 -1.93 0.00 0.00 57.85 55.84 1wfq n ARG 70 Cb 0.59 -1.09 -0.06 0.00 -1.16 0.00 0.00 32.46 30.74 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 -0.99 2.10 0.00 5.56 1.74 -1.26 -4.74 116.66 119.07 1wfq n ARG 71 Ca 0.03 -0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 1wfq n ARG 71 Cb 0.21 -1.19 0.00 0.00 -1.02 0.00 0.00 32.46 30.45 1wfq n ARG 71 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1wfq n THR 72 N -2.15 0.00 -1.00 0.55 -2.24 -1.26 -5.00 114.28 103.18 1wfq n THR 72 Ca -0.09 -0.21 -0.06 0.00 -2.27 0.00 0.00 64.05 61.42 1wfq n THR 72 Cb 0.61 0.74 -0.03 0.00 -2.10 0.00 0.00 70.33 69.55 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 1.09 0.57 3.81 3.38 0.00 -1.15 -4.85 105.19 108.03 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 -2.16 3.61 -0.74 1.61 -0.14 -1.26 -4.24 119.74 116.42 1wfq s LYS 74 Ca 0.00 1.22 -0.26 0.00 -1.36 0.00 0.00 55.97 55.57 1wfq s LYS 74 Cb 0.00 -2.07 -0.03 0.00 -1.68 0.00 0.00 37.83 34.04 1wfq s LYS 74 CO 0.00 -0.57 1.90 -1.25 -0.76 0.00 0.00 175.35 174.67 1wfq s PRO 75 N -3.75 2.59 0.31 -1.68 0.04 -1.25 -2.62 135.00 128.63 1wfq s PRO 75 Ca 0.64 0.21 0.08 0.00 0.04 0.00 0.00 61.00 61.96 1wfq s PRO 75 Cb -0.15 -4.70 -0.03 0.00 0.04 0.00 0.00 34.50 29.66 1wfq s PRO 75 CO 0.29 -3.03 0.21 0.96 0.04 0.00 0.00 177.00 175.47 1wfq s ILE 76 N 9.56 3.66 0.05 0.56 -4.36 0.38 -4.58 121.20 126.48 1wfq s ILE 76 Ca 0.69 -1.49 -0.12 0.00 -0.26 0.00 0.00 60.65 59.47 1wfq s ILE 76 Cb -0.10 -3.17 -0.06 0.00 1.25 0.00 0.00 42.46 40.38 1wfq s ILE 76 CO 0.11 -0.24 0.40 0.00 0.24 0.00 0.00 174.94 175.45 1wfq s ALA 77 N -2.29 3.71 0.16 2.27 0.00 -1.13 -0.26 121.76 124.23 1wfq s ALA 77 Ca 0.37 -0.32 -0.03 0.00 0.00 0.00 0.00 51.96 51.98 1wfq s ALA 77 Cb -0.06 -2.31 -0.03 0.00 0.00 0.00 0.00 23.12 20.72 1wfq s ALA 77 CO 0.25 0.53 0.15 0.14 0.00 0.00 0.00 175.76 176.83 1wfq s VAL 78 N -1.29 0.06 -1.45 0.00 -7.23 -0.51 -4.26 120.40 105.73 1wfq s VAL 78 Ca 0.30 -1.80 -0.04 0.00 -1.81 0.00 0.00 61.98 58.63 1wfq s VAL 78 Cb -0.15 -2.13 0.00 0.00 0.56 0.00 0.00 36.38 34.66 1wfq s VAL 78 CO 0.16 -0.28 0.25 0.29 -0.31 0.00 0.00 175.10 175.21 1wfq n LYS 79 N -0.18 -1.82 -1.67 4.82 4.76 -1.25 -1.55 118.16 121.26 1wfq n LYS 79 Ca -0.04 0.23 -0.35 0.00 -2.87 0.00 0.00 58.31 55.29 1wfq n LYS 79 Cb 0.64 -3.89 0.07 0.00 -1.84 0.00 0.00 35.03 30.01 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 -7.19 3.44 -0.26 -0.35 2.96 -1.06 -4.48 118.68 111.74 1wfq s LEU 80 Ca 0.06 2.29 -0.12 0.00 -0.22 0.00 0.00 54.13 56.15 1wfq s LEU 80 Cb -0.03 -4.58 0.10 0.00 0.50 0.00 0.00 46.19 42.17 1wfq s LEU 80 CO 0.95 -1.94 0.61 0.68 -1.32 0.00 0.00 176.35 175.33 1wfq s VAL 81 N -1.94 -0.41 0.04 1.68 -7.23 0.15 -2.43 120.40 110.27 1wfq s VAL 81 Ca 0.74 0.03 -0.30 0.00 -1.81 0.00 0.00 61.98 60.64 1wfq s VAL 81 Cb -0.28 -0.91 -0.08 0.00 0.56 0.00 0.00 36.38 35.67 1wfq s VAL 81 CO 0.41 0.01 1.70 -0.75 -0.31 0.00 0.00 175.10 176.17 1wfq s LYS 82 N 2.14 4.18 0.05 4.82 2.20 -1.26 -0.20 119.74 131.68 1wfq s LYS 82 Ca -0.08 2.35 -0.26 0.00 -0.36 0.00 0.00 55.97 57.62 1wfq s LYS 82 Cb -0.09 -3.77 -0.17 0.00 -1.51 0.00 0.00 37.83 32.30 1wfq s LYS 82 CO -0.18 -0.80 1.55 0.82 -0.36 0.00 0.00 175.35 176.38 1wfq h ILE 83 N 5.09 0.80 -3.42 5.43 2.04 -1.90 -3.43 117.51 122.12 1wfq h ILE 83 Ca -0.43 -0.26 -0.66 0.00 1.00 0.00 0.00 64.86 64.52 1wfq h ILE 83 Cb 1.20 0.95 -0.24 0.00 -0.74 0.00 0.00 36.82 37.99 1wfq h ILE 83 CO 0.94 0.06 -0.73 -0.55 0.00 0.00 0.00 178.15 177.87 1wfq s SER 84 N -5.01 4.31 0.00 1.72 0.15 -1.26 -5.01 113.70 108.60 1wfq s SER 84 Ca -0.15 -0.23 0.00 0.00 0.70 0.00 0.00 55.95 56.28 1wfq s SER 84 Cb 0.04 -1.54 0.00 0.00 -1.71 0.00 0.00 66.02 62.81 1wfq s SER 84 CO 0.62 0.20 0.00 0.61 1.20 0.00 0.00 173.24 175.88 1wfq n GLY 85 N 3.28 -1.89 3.73 9.45 0.00 -1.26 -5.06 105.19 113.45 1wfq n GLY 85 Ca -0.18 0.86 -0.41 0.00 0.00 0.00 0.00 46.02 46.29 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 4.39 -0.13 1.61 0.04 -1.26 -5.03 135.00 134.62 1wfq s PRO 86 Ca 0.00 2.04 -0.06 0.00 0.04 0.00 0.00 61.00 63.02 1wfq s PRO 86 Cb 0.00 -3.21 -0.04 0.00 0.04 0.00 0.00 34.50 31.29 1wfq s PRO 86 CO 0.00 -0.27 0.08 -1.54 0.04 0.00 0.00 177.00 175.31 1wfq s SER 87 N 0.44 5.86 -0.73 6.66 1.04 -1.26 -5.05 113.70 120.66 1wfq s SER 87 Ca 0.57 0.27 -0.24 0.00 0.48 0.00 0.00 55.95 57.03 1wfq s SER 87 Cb -0.36 -1.87 0.05 0.00 0.10 0.00 0.00 66.02 63.94 1wfq s SER 87 CO 0.37 0.33 1.13 -0.94 0.98 0.00 0.00 173.24 175.11 1wfq s SER 88 N -0.57 6.20 0.00 7.02 1.04 -1.26 -5.37 113.70 120.77 1wfq s SER 88 Ca 0.11 -0.83 0.00 0.00 0.48 0.00 0.00 55.95 55.71 1wfq s SER 88 Cb -0.12 -2.49 0.00 0.00 0.10 0.00 0.00 66.02 63.52 1wfq s SER 88 CO 0.02 -1.60 0.00 0.61 0.98 0.00 0.00 173.24 173.25