#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 0.12 -1.05 1.61 1.04 -1.26 -5.09 113.70 109.07 1wfq s SER 2 Ca 0.00 0.62 -0.20 0.00 0.48 0.00 0.00 55.95 56.85 1wfq s SER 2 Cb 0.00 0.68 0.10 0.00 0.10 0.00 0.00 66.02 66.90 1wfq s SER 2 CO 0.00 -0.22 1.37 -0.55 0.98 0.00 0.00 173.24 174.82 1wfq s SER 3 N 2.10 6.67 0.00 7.02 0.15 -1.26 -4.96 113.70 123.43 1wfq s SER 3 Ca -0.02 -2.00 0.00 0.00 0.70 0.00 0.00 55.95 54.63 1wfq s SER 3 Cb -0.11 -2.49 0.00 0.00 -1.71 0.00 0.00 66.02 61.71 1wfq s SER 3 CO -0.09 -1.20 0.00 0.61 1.20 0.00 0.00 173.24 173.76 1wfq n GLY 4 N 5.82 4.46 3.14 9.45 0.00 -1.26 -5.15 105.19 121.66 1wfq n GLY 4 Ca 0.32 -2.11 0.04 0.00 0.00 0.00 0.00 46.02 44.27 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 -0.42 -1.43 -1.35 1.61 0.01 -1.26 -4.94 113.70 105.92 1wfq s SER 5 Ca 0.00 0.63 -0.07 0.00 1.31 0.00 0.00 55.95 57.83 1wfq s SER 5 Cb 0.00 2.10 0.02 0.00 0.21 0.00 0.00 66.02 68.35 1wfq s SER 5 CO 0.00 -0.27 1.03 -1.20 0.41 0.00 0.00 173.24 173.21 1wfq n SER 6 N 5.43 -4.31 -4.69 2.44 7.64 -1.26 -4.88 113.62 113.98 1wfq n SER 6 Ca 0.01 -0.65 -0.44 0.00 1.01 0.00 0.00 58.87 58.80 1wfq n SER 6 Cb 0.52 -4.68 -0.03 0.00 -1.01 0.00 0.00 64.21 59.00 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 -1.68 1.17 0.00 0.23 0.00 -1.26 -4.52 105.19 99.13 1wfq n GLY 7 Ca -0.10 0.58 0.00 0.00 0.00 0.00 0.00 46.02 46.50 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 3.04 0.51 3.10 -0.02 0.00 -1.26 -5.01 105.19 105.55 1wfq n GLY 8 Ca 0.14 -1.49 -0.10 0.00 0.00 0.00 0.00 46.02 44.57 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 0.10 0.29 1.61 1.13 -1.26 -3.55 117.35 115.66 1wfq s TYR 9 Ca 0.00 -0.26 -0.29 0.00 -1.41 0.00 0.00 57.07 55.10 1wfq s TYR 9 Cb 0.00 -0.08 -0.10 0.00 -1.10 0.00 0.00 41.96 40.68 1wfq s TYR 9 CO 0.00 -0.30 1.24 -1.25 -2.51 0.00 0.00 175.55 172.73 1wfq s PRO 10 N -1.70 4.45 -0.38 -3.49 0.04 -1.26 -5.09 135.00 127.57 1wfq s PRO 10 Ca -0.12 2.06 -0.29 0.00 0.04 0.00 0.00 61.00 62.68 1wfq s PRO 10 Cb -0.06 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 31.35 1wfq s PRO 10 CO -0.00 -0.08 1.47 1.21 0.04 0.00 0.00 177.00 179.64 1wfq s ASN 11 N -0.44 6.29 0.00 6.66 2.47 -1.23 -4.80 114.94 123.89 1wfq s ASN 11 Ca 0.49 0.97 0.00 0.00 0.42 0.00 0.00 52.86 54.74 1wfq s ASN 11 Cb -0.37 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 36.90 1wfq s ASN 11 CO 0.46 -1.44 0.00 0.61 -3.72 0.00 0.00 177.10 173.01 1wfq n GLY 12 N 5.06 2.21 3.95 1.21 0.00 -1.26 -5.08 105.19 111.27 1wfq n GLY 12 Ca 0.17 -2.14 -0.23 0.00 0.00 0.00 0.00 46.02 43.83 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 -1.91 3.85 0.33 2.61 -4.23 -1.26 -5.04 115.64 109.99 1wfq s THR 13 Ca 0.00 -0.47 -0.29 0.00 -1.18 0.00 0.00 61.69 59.75 1wfq s THR 13 Cb 0.00 -3.43 -0.12 0.00 1.34 0.00 0.00 72.50 70.29 1wfq s THR 13 CO 0.00 -0.32 1.44 -1.54 -0.54 0.00 0.00 174.62 173.66 1wfq n SER 14 N -2.14 3.37 -3.72 3.99 3.41 -1.26 -5.00 113.62 112.27 1wfq n SER 14 Ca 0.02 1.20 -0.10 0.00 -0.26 0.00 0.00 58.87 59.73 1wfq n SER 14 Cb 0.58 -1.55 -0.04 0.00 -0.26 0.00 0.00 64.21 62.94 1wfq n SER 14 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wfq s ALA 15 N -0.78 -0.20 0.22 7.33 0.00 -1.26 -5.15 121.76 121.93 1wfq s ALA 15 Ca 0.58 -0.93 -0.30 0.00 0.00 0.00 0.00 51.96 51.31 1wfq s ALA 15 Cb -0.53 1.02 -0.09 0.00 0.00 0.00 0.00 23.12 23.53 1wfq s ALA 15 CO 0.59 -0.88 1.18 0.00 0.00 0.00 0.00 175.76 176.65 1wfq s ALA 16 N -3.63 3.44 -0.23 0.00 0.00 -1.26 -5.02 121.76 115.05 1wfq s ALA 16 Ca 0.22 0.97 -0.04 0.00 0.00 0.00 0.00 51.96 53.11 1wfq s ALA 16 Cb -0.02 -3.40 -0.00 0.00 0.00 0.00 0.00 23.12 19.70 1wfq s ALA 16 CO 0.11 -0.34 -0.03 -1.17 0.00 0.00 0.00 175.76 174.33 1wfq s LEU 17 N -0.70 3.03 -0.08 0.00 1.98 -1.26 -5.09 118.68 116.56 1wfq s LEU 17 Ca 0.50 -0.47 -0.26 0.00 -2.89 0.00 0.00 54.13 51.01 1wfq s LEU 17 Cb -0.33 -1.75 -0.03 0.00 0.66 0.00 0.00 46.19 44.74 1wfq s LEU 17 CO 0.39 -0.05 0.84 -0.13 -1.89 0.00 0.00 176.35 175.51 1wfq s ARG 18 N 1.47 4.43 0.17 1.98 1.81 -1.26 -4.42 118.95 123.12 1wfq s ARG 18 Ca 0.05 1.11 0.05 0.00 -1.72 0.00 0.00 55.73 55.22 1wfq s ARG 18 Cb -0.15 -3.50 -0.04 0.00 -0.45 0.00 0.00 34.95 30.82 1wfq s ARG 18 CO -0.03 -0.11 0.13 -1.21 -0.68 0.00 0.00 175.30 173.40 1wfq s GLU 19 N 1.36 2.89 -0.01 3.54 0.41 0.20 -4.88 118.70 122.20 1wfq s GLU 19 Ca 0.42 -0.88 0.07 0.00 -0.41 0.00 0.00 54.97 54.17 1wfq s GLU 19 Cb -0.18 -2.64 -0.02 0.00 -1.78 0.00 0.00 34.13 29.51 1wfq s GLU 19 CO 0.19 0.48 -0.22 0.95 -0.49 0.00 0.00 175.26 176.17 1wfq s THR 20 N -1.76 2.44 0.00 3.63 -4.23 -1.26 -0.63 115.64 113.83 1wfq s THR 20 Ca 0.31 -1.04 0.00 0.00 -1.18 0.00 0.00 61.69 59.78 1wfq s THR 20 Cb -0.10 -1.91 0.00 0.00 1.34 0.00 0.00 72.50 71.83 1wfq s THR 20 CO 0.23 0.53 0.00 0.61 -0.54 0.00 0.00 174.62 175.45 1wfq n GLY 21 N 2.22 4.97 3.39 3.99 0.00 -1.17 -3.14 105.19 115.45 1wfq n GLY 21 Ca -0.16 -0.63 -0.07 0.00 0.00 0.00 0.00 46.02 45.16 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 1.62 -0.52 -0.79 1.61 0.11 -0.55 -4.09 120.40 117.79 1wfq s VAL 22 Ca 0.00 0.10 -0.23 0.00 -2.93 0.00 0.00 61.98 58.92 1wfq s VAL 22 Cb 0.00 -0.76 -0.17 0.00 -1.53 0.00 0.00 36.38 33.91 1wfq s VAL 22 CO 0.00 0.04 2.40 -0.38 -3.33 0.00 0.00 175.10 173.83 1wfq n ILE 23 N 5.05 -0.02 -0.17 7.04 2.08 -1.17 0.41 119.36 132.59 1wfq n ILE 23 Ca -0.14 -0.51 -0.10 0.00 0.56 0.00 0.00 62.75 62.56 1wfq n ILE 23 Cb 0.52 -1.59 0.03 0.00 -0.75 0.00 0.00 39.64 37.84 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 1.00 -3.82 0.38 4.57 -1.70 -1.06 114.58 127.92 1wfq h GLU 24 Ca -0.06 -0.37 -0.10 0.00 -1.18 0.00 0.00 59.36 57.65 1wfq h GLU 24 Cb 1.13 -0.06 -0.15 0.00 -0.16 0.00 0.00 28.75 29.50 1wfq h GLU 24 CO 1.22 1.05 -0.44 0.21 -1.18 0.00 0.00 179.01 179.87 1wfq s LYS 25 N -4.83 0.74 -0.07 1.92 2.36 -1.13 -4.86 119.74 113.87 1wfq s LYS 25 Ca -0.11 -0.90 -0.04 0.00 -2.55 0.00 0.00 55.97 52.37 1wfq s LYS 25 Cb 0.13 0.30 0.03 0.00 -1.05 0.00 0.00 37.83 37.24 1wfq s LYS 25 CO 0.86 -0.21 0.16 -1.17 1.55 0.00 0.00 175.35 176.54 1wfq s LEU 26 N -2.60 0.88 0.00 5.43 2.96 -1.26 0.57 118.68 124.66 1wfq s LEU 26 Ca 0.02 0.34 0.01 0.00 -0.22 0.00 0.00 54.13 54.28 1wfq s LEU 26 Cb 0.03 0.47 -0.00 0.00 0.50 0.00 0.00 46.19 47.19 1wfq s LEU 26 CO -0.08 -0.12 0.03 0.18 -1.32 0.00 0.00 176.35 175.04 1wfq n LEU 27 N 3.84 0.00 0.05 -0.68 4.32 0.36 -4.95 117.00 119.94 1wfq n LEU 27 Ca -0.22 -1.20 -0.03 0.00 -0.02 0.00 0.00 56.01 54.54 1wfq n LEU 27 Cb 0.54 0.29 -0.08 0.00 -1.62 0.00 0.00 43.42 42.55 1wfq n LEU 27 CO 0.18 -0.18 -0.08 0.00 -1.22 0.00 0.00 177.39 176.10 1wfq h THR 28 N 1.20 0.94 0.00 -5.08 1.03 -2.03 -3.34 112.91 105.63 1wfq h THR 28 Ca -0.14 -2.54 -0.12 0.00 -0.01 0.00 0.00 66.41 63.60 1wfq h THR 28 Cb 0.47 2.40 -0.02 0.00 -1.07 0.00 0.00 68.15 69.93 1wfq h THR 28 CO 0.22 0.54 -1.70 -1.54 -0.01 0.00 0.00 175.52 173.02 1wfq n SER 29 N -3.11 0.43 -2.43 0.00 3.41 -1.26 -4.98 113.62 105.69 1wfq n SER 29 Ca -0.06 0.18 0.01 0.00 -0.26 0.00 0.00 58.87 58.74 1wfq n SER 29 Cb 0.89 0.95 0.01 0.00 -0.26 0.00 0.00 64.21 65.80 1wfq n SER 29 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wfq n TYR 30 N -2.62 -0.30 -3.83 7.33 0.18 -1.25 -3.63 117.16 113.03 1wfq n TYR 30 Ca -0.10 -0.37 -0.09 0.00 1.88 0.00 0.00 57.90 59.21 1wfq n TYR 30 Cb 0.76 0.17 -0.07 0.00 -0.38 0.00 0.00 39.34 39.82 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 -3.25 0.08 0.16 -7.48 0.00 0.19 0.14 107.32 97.15 1wfq s GLY 31 Ca 0.15 -0.54 0.05 0.00 0.00 0.00 0.00 44.72 44.37 1wfq s GLY 31 CO -0.00 -0.71 0.15 -1.36 0.00 0.00 0.00 173.10 171.18 1wfq s PHE 32 N -3.87 3.18 -0.12 1.90 0.40 0.19 -0.14 117.98 119.52 1wfq s PHE 32 Ca 0.06 -0.00 -0.03 0.00 -0.60 0.00 0.00 56.93 56.36 1wfq s PHE 32 Cb 0.04 -1.53 0.05 0.00 0.51 0.00 0.00 43.02 42.09 1wfq s PHE 32 CO -0.10 0.52 0.05 0.42 0.70 0.00 0.00 175.22 176.81 1wfq s ILE 33 N -1.73 0.17 -0.61 0.64 1.01 -0.58 -1.93 121.20 118.16 1wfq s ILE 33 Ca 0.31 -0.07 -0.26 0.00 0.00 0.00 0.00 60.65 60.64 1wfq s ILE 33 Cb -0.10 -0.59 0.04 0.00 0.01 0.00 0.00 42.46 41.82 1wfq s ILE 33 CO 0.24 -0.03 1.08 -1.58 0.00 0.00 0.00 174.94 174.64 1wfq s GLN 34 N 2.03 3.32 0.26 2.79 2.00 0.17 0.28 119.66 130.51 1wfq s GLN 34 Ca 0.03 -0.21 -0.30 0.00 -2.00 0.00 0.00 55.36 52.88 1wfq s GLN 34 Cb -0.15 -4.09 -0.14 0.00 0.80 0.00 0.00 33.01 29.43 1wfq s GLN 34 CO -0.07 -1.72 1.19 0.00 -0.50 0.00 0.00 175.29 174.20 1wfq n SER 36 N 1.55 3.01 -0.06 0.00 7.64 -1.19 -2.48 113.62 122.09 1wfq n SER 36 Ca 0.10 -1.95 -0.09 0.00 1.01 0.00 0.00 58.87 57.95 1wfq n SER 36 Cb 0.31 -0.11 -0.05 0.00 -1.01 0.00 0.00 64.21 63.35 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 1.27 0.29 -0.00 1.43 1.02 -1.26 -4.68 120.64 118.71 1wfq n GLU 37 Ca 0.17 0.08 0.10 0.00 -0.02 0.00 0.00 57.16 57.48 1wfq n GLU 37 Cb 0.57 -1.20 -0.13 0.00 -0.02 0.00 0.00 31.44 30.66 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 -2.95 0.51 -3.28 3.49 1.85 -1.26 -5.00 116.66 110.03 1wfq n ARG 38 Ca -0.22 -0.08 -0.17 0.00 -1.00 0.00 0.00 57.85 56.39 1wfq n ARG 38 Cb 0.72 -1.46 0.07 0.00 -1.05 0.00 0.00 32.46 30.74 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 -1.78 -5.94 -4.77 2.89 6.02 -1.03 -5.02 117.38 107.74 1wfq n GLN 39 Ca 0.01 0.68 -0.24 0.00 -0.01 0.00 0.00 57.00 57.43 1wfq n GLN 39 Cb 0.40 -5.23 -0.15 0.00 1.02 0.00 0.00 30.24 26.28 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 1.38 -0.66 -1.58 0.00 -1.24 -4.91 121.76 111.47 1wfq s ALA 40 Ca 0.25 -0.69 -0.27 0.00 0.00 0.00 0.00 51.96 51.25 1wfq s ALA 40 Cb -0.11 -0.38 0.03 0.00 0.00 0.00 0.00 23.12 22.67 1wfq s ALA 40 CO 0.59 0.31 1.21 1.03 0.00 0.00 0.00 175.76 178.90 1wfq s ARG 41 N -0.28 3.32 0.75 0.00 0.52 -1.26 -0.32 118.95 121.68 1wfq s ARG 41 Ca 0.04 -0.09 -0.07 0.00 -0.52 0.00 0.00 55.73 55.08 1wfq s ARG 41 Cb -0.07 -4.11 0.10 0.00 0.52 0.00 0.00 34.95 31.38 1wfq s ARG 41 CO -0.00 -1.92 1.07 -0.51 0.02 0.00 0.00 175.30 173.96 1wfq s LEU 42 N 5.24 2.82 -0.26 2.53 1.43 0.14 -4.88 118.68 125.71 1wfq s LEU 42 Ca 0.37 0.30 0.00 0.00 -1.03 0.00 0.00 54.13 53.77 1wfq s LEU 42 Cb -0.09 -2.79 0.08 0.00 0.03 0.00 0.00 46.19 43.42 1wfq s LEU 42 CO 0.19 -1.84 0.01 0.12 0.23 0.00 0.00 176.35 175.06 1wfq s PHE 43 N -3.34 2.11 -0.12 0.29 5.36 -1.26 -1.53 117.98 119.48 1wfq s PHE 43 Ca 0.63 -1.72 -0.06 0.00 -0.96 0.00 0.00 56.93 54.82 1wfq s PHE 43 Cb -0.09 -1.66 -0.04 0.00 -0.34 0.00 0.00 43.02 40.89 1wfq s PHE 43 CO 0.46 -0.79 0.10 -0.59 -1.46 0.00 0.00 175.22 172.94 1wfq s PHE 44 N 1.48 3.43 0.05 10.12 -0.71 0.80 -2.72 117.98 130.44 1wfq s PHE 44 Ca 0.01 0.38 -0.19 0.00 -1.04 0.00 0.00 56.93 56.09 1wfq s PHE 44 Cb -0.18 -1.93 -0.06 0.00 -1.21 0.00 0.00 43.02 39.63 1wfq s PHE 44 CO -0.12 0.57 0.55 -1.58 -1.34 0.00 0.00 175.22 173.30 1wfq s HIS 45 N -0.73 3.77 0.35 3.49 2.46 -1.26 -0.64 115.29 122.73 1wfq s HIS 45 Ca 0.13 1.21 0.18 0.00 0.47 0.00 0.00 55.06 57.05 1wfq s HIS 45 Cb -0.12 -2.49 0.98 0.00 -0.13 0.00 0.00 32.58 30.82 1wfq s HIS 45 CO 0.03 0.55 1.49 0.00 -2.47 0.00 0.00 174.74 174.33 1wfq h SER 47 N 0.00 0.16 0.41 0.00 0.87 -1.92 -3.33 113.55 109.75 1wfq h SER 47 Ca 0.00 -0.16 -0.02 0.00 -1.23 0.00 0.00 61.79 60.38 1wfq h SER 47 Cb 0.80 -0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 62.71 1wfq h SER 47 CO 0.00 1.09 -0.23 1.56 -0.53 0.00 0.00 176.83 178.72 1wfq h GLN 48 N 0.04 -0.58 -6.28 2.24 1.08 0.04 -3.42 115.11 108.23 1wfq h GLN 48 Ca -0.05 0.04 -0.64 0.00 -1.45 0.00 0.00 58.65 56.55 1wfq h GLN 48 Cb 1.76 0.13 0.02 0.00 -0.05 0.00 0.00 27.48 29.35 1wfq h GLN 48 CO 0.15 -0.39 1.01 0.98 -0.95 0.00 0.00 178.83 179.63 1wfq n TYR 49 N -5.36 2.25 0.05 2.96 9.36 -1.23 -2.82 117.16 122.37 1wfq n TYR 49 Ca -0.11 0.14 -0.21 0.00 3.32 0.00 0.00 57.90 61.05 1wfq n TYR 49 Cb 0.27 -2.60 -0.12 0.00 -0.63 0.00 0.00 39.34 36.25 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 8.32 0.81 0.00 2.98 -1.24 -1.79 -3.46 115.58 121.21 1wfq h ASN 50 Ca -0.48 -0.79 0.00 0.00 0.71 0.00 0.00 56.30 55.75 1wfq h ASN 50 Cb 1.28 -0.25 0.00 0.00 0.73 0.00 0.00 38.32 40.08 1wfq h ASN 50 CO 0.94 1.50 0.00 0.61 -1.29 0.00 0.00 177.43 179.19 1wfq n GLY 51 N 1.23 -2.80 3.14 1.57 0.00 -1.26 -4.97 105.19 102.10 1wfq n GLY 51 Ca -0.12 -0.98 -0.34 0.00 0.00 0.00 0.00 46.02 44.58 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 -1.87 4.63 0.29 1.61 2.47 -1.26 -4.98 114.94 115.83 1wfq s ASN 52 Ca 0.00 -1.25 0.17 0.00 0.42 0.00 0.00 52.86 52.21 1wfq s ASN 52 Cb 0.00 -1.65 1.04 0.00 -1.45 0.00 0.00 41.25 39.20 1wfq s ASN 52 CO 0.00 -0.21 1.20 0.18 -3.72 0.00 0.00 177.10 174.55 1wfq n LEU 53 N 4.57 0.25 -0.23 3.21 7.99 -1.26 0.12 117.00 131.65 1wfq n LEU 53 Ca -0.14 1.24 0.01 0.00 -0.01 0.00 0.00 56.01 57.11 1wfq n LEU 53 Cb 0.44 -0.60 0.10 0.00 -0.11 0.00 0.00 43.42 43.24 1wfq n LEU 53 CO 0.25 -1.38 0.77 1.56 -1.51 0.00 0.00 177.39 177.08 1wfq h GLN 54 N 0.00 0.04 -0.62 3.23 1.08 -2.02 0.22 115.11 117.05 1wfq h GLN 54 Ca 0.65 -0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.81 1wfq h GLN 54 Cb 1.78 -0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 29.17 1wfq h GLN 54 CO -0.56 0.03 0.22 -0.44 -0.95 0.00 0.00 178.83 177.13 1wfq h ASP 55 N 0.05 0.85 -4.04 1.46 5.19 0.56 -3.43 116.42 117.06 1wfq h ASP 55 Ca 0.34 -0.13 -0.52 0.00 -0.62 0.00 0.00 57.03 56.10 1wfq h ASP 55 Cb 0.56 -0.22 0.10 0.00 0.18 0.00 0.00 39.33 39.94 1wfq h ASP 55 CO -0.65 0.78 0.52 -0.22 -3.12 0.00 0.00 179.24 176.55 1wfq s LEU 56 N -9.48 3.89 0.16 1.55 2.96 0.77 -5.04 118.68 113.49 1wfq s LEU 56 Ca -0.10 2.47 -0.10 0.00 -0.22 0.00 0.00 54.13 56.18 1wfq s LEU 56 Cb 0.16 -4.32 -0.00 0.00 0.50 0.00 0.00 46.19 42.52 1wfq s LEU 56 CO 0.81 -1.25 0.30 -0.54 -1.32 0.00 0.00 176.35 174.34 1wfq s LYS 57 N -2.89 1.15 -0.74 1.98 1.02 -1.26 -4.96 119.74 114.04 1wfq s LYS 57 Ca 0.69 -1.13 -0.27 0.00 0.02 0.00 0.00 55.97 55.29 1wfq s LYS 57 Cb -0.33 0.39 0.03 0.00 -0.52 0.00 0.00 37.83 37.40 1wfq s LYS 57 CO 0.38 -0.42 1.26 0.08 -0.92 0.00 0.00 175.35 175.74 1wfq s VAL 58 N -3.95 3.77 0.00 3.17 1.01 -1.26 -3.14 120.40 120.01 1wfq s VAL 58 Ca 0.15 0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.44 1wfq s VAL 58 Cb 0.03 -4.91 0.00 0.00 0.00 0.00 0.00 36.38 31.50 1wfq s VAL 58 CO -0.01 -1.83 0.00 0.61 0.00 0.00 0.00 175.10 173.86 1wfq n GLY 59 N 5.43 0.07 3.94 4.51 0.00 -0.40 -4.96 105.19 113.77 1wfq n GLY 59 Ca 0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.13 6.34 0.14 1.61 1.11 -1.19 -4.83 116.67 119.72 1wfq s ASP 60 Ca 0.00 0.45 -0.25 0.00 0.18 0.00 0.00 52.55 52.92 1wfq s ASP 60 Cb 0.00 -2.03 -0.07 0.00 1.07 0.00 0.00 42.92 41.89 1wfq s ASP 60 CO 0.00 -0.20 0.78 -1.81 1.18 0.00 0.00 175.17 175.12 1wfq s ASP 61 N -3.69 7.36 -0.13 0.27 1.11 -1.26 -3.03 116.67 117.30 1wfq s ASP 61 Ca 0.40 1.62 -0.16 0.00 0.18 0.00 0.00 52.55 54.58 1wfq s ASP 61 Cb -0.10 -2.50 0.04 0.00 1.07 0.00 0.00 42.92 41.43 1wfq s ASP 61 CO 0.33 0.16 0.43 0.68 1.18 0.00 0.00 175.17 177.95 1wfq s VAL 62 N -0.90 0.01 -0.19 -1.27 -7.23 -1.26 -3.47 120.40 106.09 1wfq s VAL 62 Ca 0.37 -0.09 -0.11 0.00 -1.81 0.00 0.00 61.98 60.34 1wfq s VAL 62 Cb -0.23 -0.63 -0.05 0.00 0.56 0.00 0.00 36.38 36.03 1wfq s VAL 62 CO 0.26 -0.05 0.16 -0.70 -0.31 0.00 0.00 175.10 174.46 1wfq s GLU 63 N -0.15 4.17 0.31 4.82 2.12 0.96 -3.06 118.70 127.87 1wfq s GLU 63 Ca -0.03 -0.16 0.05 0.00 0.36 0.00 0.00 54.97 55.19 1wfq s GLU 63 Cb -0.03 -3.41 -0.03 0.00 0.26 0.00 0.00 34.13 30.91 1wfq s GLU 63 CO 0.02 0.31 0.22 -0.59 -0.54 0.00 0.00 175.26 174.68 1wfq s PHE 64 N 0.32 1.63 -0.15 5.30 -0.71 0.20 -0.28 117.98 124.28 1wfq s PHE 64 Ca 0.10 -1.54 0.01 0.00 -1.04 0.00 0.00 56.93 54.46 1wfq s PHE 64 Cb -0.11 -0.74 0.02 0.00 -1.21 0.00 0.00 43.02 40.97 1wfq s PHE 64 CO -0.01 -0.73 -0.18 -2.00 -1.34 0.00 0.00 175.22 170.96 1wfq s GLU 65 N -3.65 2.68 -0.14 1.99 2.56 -0.90 0.60 118.70 121.84 1wfq s GLU 65 Ca 0.38 -0.72 -0.29 0.00 0.00 0.00 0.00 54.97 54.34 1wfq s GLU 65 Cb 0.04 -2.31 -0.03 0.00 2.00 0.00 0.00 34.13 33.83 1wfq s GLU 65 CO 0.22 -0.15 1.50 0.08 -0.56 0.00 0.00 175.26 176.35 1wfq s VAL 66 N 1.20 3.86 0.48 3.70 1.01 -1.26 -2.13 120.40 127.25 1wfq s VAL 66 Ca 0.01 1.02 0.02 0.00 0.00 0.00 0.00 61.98 63.03 1wfq s VAL 66 Cb -0.14 -3.72 -0.02 0.00 0.00 0.00 0.00 36.38 32.50 1wfq s VAL 66 CO -0.08 -0.16 0.03 -0.94 0.00 0.00 0.00 175.10 173.95 1wfq s SER 67 N 3.08 3.79 -0.08 3.32 1.04 0.61 -4.94 113.70 120.52 1wfq s SER 67 Ca 0.66 -1.65 0.02 0.00 0.48 0.00 0.00 55.95 55.46 1wfq s SER 67 Cb -0.27 0.50 0.01 0.00 0.10 0.00 0.00 66.02 66.36 1wfq s SER 67 CO 0.24 -0.86 -0.14 -0.94 0.98 0.00 0.00 173.24 172.52 1wfq s SER 68 N -3.81 2.11 1.15 7.02 1.04 -1.26 -0.81 113.70 119.15 1wfq s SER 68 Ca 0.11 -0.36 -0.15 0.00 0.48 0.00 0.00 55.95 56.03 1wfq s SER 68 Cb 0.02 -0.96 0.27 0.00 0.10 0.00 0.00 66.02 65.45 1wfq s SER 68 CO 0.06 0.03 1.05 -0.62 0.98 0.00 0.00 173.24 174.74 1wfq s ASP 69 N 0.78 1.21 0.00 7.02 2.15 -1.07 -4.86 116.67 121.89 1wfq s ASP 69 Ca -0.12 1.15 0.14 0.00 0.43 0.00 0.00 52.55 54.15 1wfq s ASP 69 Cb -0.16 -1.77 0.01 0.00 -0.30 0.00 0.00 42.92 40.71 1wfq s ASP 69 CO 0.02 -4.01 0.80 0.54 -0.17 0.00 0.00 175.17 172.36 1wfq n ARG 70 N -4.75 1.70 -0.06 4.34 5.12 -1.26 -3.00 116.66 118.75 1wfq n ARG 70 Ca 0.06 -0.83 -0.09 0.00 -1.93 0.00 0.00 57.85 55.06 1wfq n ARG 70 Cb 0.57 -1.22 -0.06 0.00 -1.16 0.00 0.00 32.46 30.59 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 -0.02 0.64 -0.00 5.56 1.74 -1.26 -4.75 116.66 118.57 1wfq n ARG 71 Ca 0.06 0.06 0.01 0.00 -0.77 0.00 0.00 57.85 57.22 1wfq n ARG 71 Cb 0.30 -1.27 -0.01 0.00 -1.02 0.00 0.00 32.46 30.46 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 -2.81 0.00 -1.35 0.55 -2.24 -1.26 -5.00 114.28 102.17 1wfq n THR 72 Ca -0.22 -0.24 -0.12 0.00 -2.27 0.00 0.00 64.05 61.19 1wfq n THR 72 Cb 0.76 0.72 -0.05 0.00 -2.10 0.00 0.00 70.33 69.66 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 1.74 1.15 3.82 3.38 0.00 -1.16 -4.91 105.19 109.21 1wfq n GLY 73 Ca -0.00 -0.01 -0.33 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 -3.00 3.83 -0.46 1.61 -0.14 -1.26 -4.38 119.74 115.93 1wfq s LYS 74 Ca 0.00 1.16 -0.28 0.00 -1.36 0.00 0.00 55.97 55.49 1wfq s LYS 74 Cb 0.00 -2.11 -0.02 0.00 -1.68 0.00 0.00 37.83 34.02 1wfq s LYS 74 CO 0.00 -0.38 1.77 -1.25 -0.76 0.00 0.00 175.35 174.73 1wfq s PRO 75 N -3.64 3.06 0.10 -1.68 0.04 -1.26 -2.59 135.00 129.03 1wfq s PRO 75 Ca 0.63 1.00 0.08 0.00 0.04 0.00 0.00 61.00 62.75 1wfq s PRO 75 Cb -0.13 -4.26 -0.04 0.00 0.04 0.00 0.00 34.50 30.12 1wfq s PRO 75 CO 0.25 -2.20 -0.17 0.96 0.04 0.00 0.00 177.00 175.88 1wfq s ILE 76 N 7.63 2.87 0.21 0.56 -4.36 0.01 -4.46 121.20 123.67 1wfq s ILE 76 Ca 0.72 -1.41 -0.22 0.00 -0.26 0.00 0.00 60.65 59.48 1wfq s ILE 76 Cb -0.17 -2.30 -0.08 0.00 1.25 0.00 0.00 42.46 41.16 1wfq s ILE 76 CO 0.28 0.16 0.76 0.00 0.24 0.00 0.00 174.94 176.37 1wfq s ALA 77 N -1.10 3.40 0.15 2.27 0.00 -1.10 -0.29 121.76 125.10 1wfq s ALA 77 Ca 0.17 0.26 -0.07 0.00 0.00 0.00 0.00 51.96 52.32 1wfq s ALA 77 Cb -0.11 -2.89 -0.01 0.00 0.00 0.00 0.00 23.12 20.11 1wfq s ALA 77 CO 0.09 0.30 0.23 0.14 0.00 0.00 0.00 175.76 176.52 1wfq s VAL 78 N -1.42 0.08 -1.48 0.00 -7.23 -0.91 -4.23 120.40 105.21 1wfq s VAL 78 Ca 0.41 -1.47 -0.03 0.00 -1.81 0.00 0.00 61.98 59.08 1wfq s VAL 78 Cb -0.19 -1.83 0.03 0.00 0.56 0.00 0.00 36.38 34.95 1wfq s VAL 78 CO 0.23 -0.37 0.42 0.29 -0.31 0.00 0.00 175.10 175.36 1wfq n LYS 79 N -0.17 -2.94 -1.41 4.82 4.76 -1.25 -2.12 118.16 119.84 1wfq n LYS 79 Ca -0.08 0.35 -0.34 0.00 -2.87 0.00 0.00 58.31 55.37 1wfq n LYS 79 Cb 0.63 -4.50 0.10 0.00 -1.84 0.00 0.00 35.03 29.42 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 -7.08 3.31 -0.27 -0.35 2.96 -1.13 -4.56 118.68 111.56 1wfq s LEU 80 Ca 0.14 2.38 -0.13 0.00 -0.22 0.00 0.00 54.13 56.30 1wfq s LEU 80 Cb -0.07 -4.59 0.09 0.00 0.50 0.00 0.00 46.19 42.12 1wfq s LEU 80 CO 0.91 -2.31 0.63 0.68 -1.32 0.00 0.00 176.35 174.94 1wfq s VAL 81 N -1.96 -0.37 0.05 1.68 -7.23 0.61 -2.94 120.40 110.23 1wfq s VAL 81 Ca 0.75 0.02 -0.30 0.00 -1.81 0.00 0.00 61.98 60.64 1wfq s VAL 81 Cb -0.30 -0.93 -0.08 0.00 0.56 0.00 0.00 36.38 35.63 1wfq s VAL 81 CO 0.46 0.01 1.66 -0.75 -0.31 0.00 0.00 175.10 176.16 1wfq s LYS 82 N 2.09 4.20 0.08 4.82 2.20 -1.26 -0.02 119.74 131.84 1wfq s LYS 82 Ca -0.08 2.31 -0.22 0.00 -0.36 0.00 0.00 55.97 57.62 1wfq s LYS 82 Cb -0.08 -3.68 -0.13 0.00 -1.51 0.00 0.00 37.83 32.43 1wfq s LYS 82 CO -0.18 -0.76 1.65 0.82 -0.36 0.00 0.00 175.35 176.52 1wfq h ILE 83 N 4.96 1.11 -3.03 5.43 2.04 -1.89 -3.44 117.51 122.70 1wfq h ILE 83 Ca -0.42 -0.32 -0.56 0.00 1.00 0.00 0.00 64.86 64.56 1wfq h ILE 83 Cb 1.20 1.15 -0.03 0.00 -0.74 0.00 0.00 36.82 38.41 1wfq h ILE 83 CO 0.93 0.10 -0.31 -0.94 0.00 0.00 0.00 178.15 177.93 1wfq s SER 84 N -5.41 6.44 0.00 1.72 1.04 -1.26 -4.99 113.70 111.23 1wfq s SER 84 Ca -0.14 0.51 0.00 0.00 0.48 0.00 0.00 55.95 56.81 1wfq s SER 84 Cb 0.06 -2.06 0.00 0.00 0.10 0.00 0.00 66.02 64.12 1wfq s SER 84 CO 0.68 -0.01 0.00 0.61 0.98 0.00 0.00 173.24 175.50 1wfq n GLY 85 N -0.32 0.91 3.74 7.32 0.00 -1.26 -5.12 105.19 110.46 1wfq n GLY 85 Ca -0.03 -0.14 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 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 1.77 -0.75 1.61 0.04 -1.26 -4.96 135.00 131.45 1wfq s PRO 86 Ca 0.00 1.01 -0.23 0.00 0.04 0.00 0.00 61.00 61.82 1wfq s PRO 86 Cb 0.00 -1.85 0.07 0.00 0.04 0.00 0.00 34.50 32.76 1wfq s PRO 86 CO 0.00 -1.94 1.10 -1.12 0.04 0.00 0.00 177.00 175.09 1wfq s SER 87 N -3.40 6.27 -0.29 6.66 0.01 -1.26 -4.93 113.70 116.76 1wfq s SER 87 Ca 0.62 -1.07 -0.16 0.00 1.31 0.00 0.00 55.95 56.65 1wfq s SER 87 Cb -0.18 -2.46 0.15 0.00 0.21 0.00 0.00 66.02 63.74 1wfq s SER 87 CO 0.56 -1.48 0.99 -0.44 0.41 0.00 0.00 173.24 173.28 1wfq s SER 88 N 3.81 -0.50 0.00 2.44 0.01 -1.26 -5.38 113.70 112.82 1wfq s SER 88 Ca 0.29 0.78 0.00 0.00 1.31 0.00 0.00 55.95 58.33 1wfq s SER 88 Cb -0.12 1.25 0.00 0.00 0.21 0.00 0.00 66.02 67.37 1wfq s SER 88 CO 0.06 -0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.20