#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 6.74 0.22 1.61 1.04 -1.26 -4.92 113.70 117.13 1wfq s SER 2 Ca 0.00 -2.61 -0.16 0.00 0.48 0.00 0.00 55.95 53.66 1wfq s SER 2 Cb 0.00 -2.23 0.24 0.00 0.10 0.00 0.00 66.02 64.14 1wfq s SER 2 CO 0.00 -0.62 1.58 -1.28 0.98 0.00 0.00 173.24 173.90 1wfq h SER 3 N 7.90 -1.02 0.00 7.02 0.87 -2.13 -3.47 113.55 122.73 1wfq h SER 3 Ca 0.10 0.25 0.00 0.00 -1.23 0.00 0.00 61.79 60.91 1wfq h SER 3 Cb 1.04 0.57 0.00 0.00 -0.44 0.00 0.00 62.40 63.57 1wfq h SER 3 CO 0.79 -0.28 0.00 0.61 -0.53 0.00 0.00 176.83 177.42 1wfq n GLY 4 N -1.48 1.03 3.29 5.77 0.00 -1.26 -5.06 105.19 107.49 1wfq n GLY 4 Ca 0.09 -0.71 -0.45 0.00 0.00 0.00 0.00 46.02 44.95 1wfq n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wfq s SER 5 N 0.00 6.51 0.18 1.61 1.04 -1.26 -5.04 113.70 116.75 1wfq s SER 5 Ca 0.00 -2.74 0.10 0.00 0.48 0.00 0.00 55.95 53.79 1wfq s SER 5 Cb 0.00 -2.15 -0.04 0.00 0.10 0.00 0.00 66.02 63.93 1wfq s SER 5 CO 0.00 -0.53 -0.15 -0.55 0.98 0.00 0.00 173.24 172.99 1wfq s SER 6 N 1.89 3.95 0.00 7.02 0.15 -1.26 -4.85 113.70 120.60 1wfq s SER 6 Ca 0.18 -0.68 0.00 0.00 0.70 0.00 0.00 55.95 56.15 1wfq s SER 6 Cb -0.12 -0.55 0.00 0.00 -1.71 0.00 0.00 66.02 63.64 1wfq s SER 6 CO -0.08 0.11 0.00 0.61 1.20 0.00 0.00 173.24 175.08 1wfq n GLY 7 N 0.13 0.77 0.00 9.45 0.00 -1.26 -5.08 105.19 109.20 1wfq n GLY 7 Ca -0.11 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.52 -0.80 3.71 -0.02 0.00 -1.26 -5.14 105.19 101.16 1wfq n GLY 8 Ca 0.00 -1.00 -0.34 0.00 0.00 0.00 0.00 46.02 44.68 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 -3.00 1.93 0.12 1.61 -0.85 -1.26 -4.20 117.35 111.70 1wfq s TYR 9 Ca 0.00 1.61 -0.31 0.00 -0.52 0.00 0.00 57.07 57.85 1wfq s TYR 9 Cb 0.00 -3.53 -0.08 0.00 0.38 0.00 0.00 41.96 38.73 1wfq s TYR 9 CO 0.00 -2.81 1.35 -1.25 -1.52 0.00 0.00 175.55 171.32 1wfq s PRO 10 N -3.91 4.35 -0.59 -3.49 0.04 -1.26 -5.04 135.00 125.09 1wfq s PRO 10 Ca 0.76 2.04 -0.26 0.00 0.04 0.00 0.00 61.00 63.57 1wfq s PRO 10 Cb -0.31 -3.25 -0.10 0.00 0.04 0.00 0.00 34.50 30.88 1wfq s PRO 10 CO 0.47 -0.38 2.44 -1.71 0.04 0.00 0.00 177.00 177.86 1wfq n ASN 11 N 3.70 1.98 -1.71 6.66 2.85 -1.26 -4.51 115.26 122.97 1wfq n ASN 11 Ca 0.10 -0.59 0.00 0.00 -0.11 0.00 0.00 54.58 53.98 1wfq n ASN 11 Cb 0.43 -1.52 0.00 0.00 1.24 0.00 0.00 39.78 39.93 1wfq n ASN 11 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1wfq n GLY 12 N 6.16 -4.65 3.57 8.20 0.00 -1.26 -4.84 105.19 112.38 1wfq n GLY 12 Ca 0.42 -0.70 -0.40 0.00 0.00 0.00 0.00 46.02 45.34 1wfq n GLY 12 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wfq s THR 13 N -3.97 5.11 -0.65 2.61 2.01 -1.26 -4.97 115.64 114.52 1wfq s THR 13 Ca 0.00 0.38 -0.32 0.00 0.31 0.00 0.00 61.69 62.05 1wfq s THR 13 Cb 0.00 -3.83 -0.18 0.00 0.01 0.00 0.00 72.50 68.50 1wfq s THR 13 CO 0.00 -0.04 2.08 -1.20 -0.69 0.00 0.00 174.62 174.77 1wfq n SER 14 N 5.51 0.44 -4.75 3.53 7.64 -1.26 -4.87 113.62 119.86 1wfq n SER 14 Ca -0.07 0.37 -0.35 0.00 1.01 0.00 0.00 58.87 59.82 1wfq n SER 14 Cb 0.50 -0.78 -0.08 0.00 -1.01 0.00 0.00 64.21 62.84 1wfq n SER 14 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wfq s ALA 15 N 6.47 3.67 0.75 -0.43 0.00 -1.26 -5.10 121.76 125.86 1wfq s ALA 15 Ca 1.10 -0.69 -0.11 0.00 0.00 0.00 0.00 51.96 52.26 1wfq s ALA 15 Cb -1.19 -2.03 0.04 0.00 0.00 0.00 0.00 23.12 19.94 1wfq s ALA 15 CO 0.49 0.32 1.08 0.00 0.00 0.00 0.00 175.76 177.65 1wfq s ALA 16 N -0.10 2.49 0.12 0.00 0.00 -1.26 -5.09 121.76 117.92 1wfq s ALA 16 Ca 0.09 -0.14 -0.11 0.00 0.00 0.00 0.00 51.96 51.80 1wfq s ALA 16 Cb -0.12 -3.11 0.01 0.00 0.00 0.00 0.00 23.12 19.90 1wfq s ALA 16 CO 0.00 -1.47 0.29 -0.48 0.00 0.00 0.00 175.76 174.11 1wfq s LEU 17 N -5.63 0.94 -0.18 0.00 -0.00 -1.26 -5.13 118.68 107.42 1wfq s LEU 17 Ca 0.59 -0.59 -0.29 0.00 -0.00 0.00 0.00 54.13 53.84 1wfq s LEU 17 Cb -0.14 1.37 -0.01 0.00 -0.00 0.00 0.00 46.19 47.42 1wfq s LEU 17 CO 0.54 -0.82 1.15 -0.13 -0.00 0.00 0.00 176.35 177.08 1wfq s ARG 18 N -3.87 4.27 0.14 1.48 1.81 -1.26 -4.28 118.95 117.24 1wfq s ARG 18 Ca 0.07 1.52 0.03 0.00 -1.72 0.00 0.00 55.73 55.63 1wfq s ARG 18 Cb 0.03 -3.68 -0.04 0.00 -0.45 0.00 0.00 34.95 30.82 1wfq s ARG 18 CO -0.08 -0.63 0.22 -1.21 -0.68 0.00 0.00 175.30 172.91 1wfq s GLU 19 N 3.17 3.23 -0.01 3.54 0.41 0.18 -4.87 118.70 124.35 1wfq s GLU 19 Ca 0.50 -0.67 0.07 0.00 -0.41 0.00 0.00 54.97 54.45 1wfq s GLU 19 Cb -0.19 -2.86 -0.02 0.00 -1.78 0.00 0.00 34.13 29.28 1wfq s GLU 19 CO 0.12 0.52 -0.21 0.95 -0.49 0.00 0.00 175.26 176.15 1wfq s THR 20 N -1.69 2.49 0.00 3.63 -4.23 -1.26 -0.45 115.64 114.12 1wfq s THR 20 Ca 0.33 -1.05 0.00 0.00 -1.18 0.00 0.00 61.69 59.80 1wfq s THR 20 Cb -0.11 -1.95 0.00 0.00 1.34 0.00 0.00 72.50 71.78 1wfq s THR 20 CO 0.26 0.51 0.00 0.61 -0.54 0.00 0.00 174.62 175.47 1wfq n GLY 21 N 2.16 4.55 3.29 3.99 0.00 -1.04 -3.24 105.19 114.90 1wfq n GLY 21 Ca -0.16 -0.48 -0.14 0.00 0.00 0.00 0.00 46.02 45.24 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 1.40 0.02 -0.89 1.61 0.11 -0.91 -3.58 120.40 118.17 1wfq s VAL 22 Ca 0.00 -0.21 -0.25 0.00 -2.93 0.00 0.00 61.98 58.60 1wfq s VAL 22 Cb 0.00 -0.62 0.02 0.00 -1.53 0.00 0.00 36.38 34.25 1wfq s VAL 22 CO 0.00 -0.11 1.53 -0.63 -3.33 0.00 0.00 175.10 172.56 1wfq s ILE 23 N -0.57 3.73 0.15 7.04 -1.09 -1.23 0.21 121.20 129.44 1wfq s ILE 23 Ca -0.07 -0.29 -0.11 0.00 -2.23 0.00 0.00 60.65 57.95 1wfq s ILE 23 Cb -0.04 -4.73 -0.01 0.00 -1.58 0.00 0.00 42.46 36.11 1wfq s ILE 23 CO 0.03 -1.64 1.54 -0.08 -1.23 0.00 0.00 174.94 173.55 1wfq h GLU 24 N 10.63 0.96 -3.84 2.79 4.57 -1.61 -0.73 114.58 127.34 1wfq h GLU 24 Ca 0.01 -0.41 -0.13 0.00 -1.18 0.00 0.00 59.36 57.65 1wfq h GLU 24 Cb 1.03 -0.03 -0.17 0.00 -0.16 0.00 0.00 28.75 29.42 1wfq h GLU 24 CO 1.33 1.08 -0.54 0.21 -1.18 0.00 0.00 179.01 179.91 1wfq s LYS 25 N -4.66 0.59 -0.10 1.92 2.36 -1.02 -4.86 119.74 113.97 1wfq s LYS 25 Ca -0.12 -0.79 -0.08 0.00 -2.55 0.00 0.00 55.97 52.44 1wfq s LYS 25 Cb 0.12 0.23 0.03 0.00 -1.05 0.00 0.00 37.83 37.16 1wfq s LYS 25 CO 0.86 -0.14 0.25 -1.17 1.55 0.00 0.00 175.35 176.70 1wfq s LEU 26 N -2.18 0.83 0.00 5.43 2.96 -1.26 0.55 118.68 125.01 1wfq s LEU 26 Ca -0.04 0.52 0.01 0.00 -0.22 0.00 0.00 54.13 54.40 1wfq s LEU 26 Cb -0.01 0.84 -0.01 0.00 0.50 0.00 0.00 46.19 47.52 1wfq s LEU 26 CO -0.05 -0.11 0.05 0.18 -1.32 0.00 0.00 176.35 175.10 1wfq n LEU 27 N 3.34 0.00 0.17 -0.68 4.32 0.32 -4.95 117.00 119.52 1wfq n LEU 27 Ca -0.17 -1.50 0.07 0.00 -0.02 0.00 0.00 56.01 54.40 1wfq n LEU 27 Cb 0.57 0.41 0.08 0.00 -1.62 0.00 0.00 43.42 42.86 1wfq n LEU 27 CO 0.17 -0.23 0.56 0.74 -1.22 0.00 0.00 177.39 177.41 1wfq h THR 28 N 1.27 0.41 0.01 -5.08 2.02 -2.04 -3.35 112.91 106.15 1wfq h THR 28 Ca -0.16 -1.59 -0.39 0.00 0.77 0.00 0.00 66.41 65.04 1wfq h THR 28 Cb 0.59 2.16 -0.07 0.00 -1.74 0.00 0.00 68.15 69.09 1wfq h THR 28 CO 0.26 0.23 -2.44 -1.20 0.37 0.00 0.00 175.52 172.74 1wfq n SER 29 N -3.12 1.99 -2.07 4.18 7.64 -1.26 -4.99 113.62 115.99 1wfq n SER 29 Ca 0.02 -0.10 -0.05 0.00 1.01 0.00 0.00 58.87 59.75 1wfq n SER 29 Cb 0.64 -0.45 0.02 0.00 -1.01 0.00 0.00 64.21 63.40 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 -3.30 -1.81 -3.81 1.43 0.18 -1.26 -2.96 117.16 105.63 1wfq n TYR 30 Ca -0.45 -1.11 -0.10 0.00 1.88 0.00 0.00 57.90 58.12 1wfq n TYR 30 Cb 0.99 0.55 -0.06 0.00 -0.38 0.00 0.00 39.34 40.45 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 -2.24 0.07 -0.01 -7.48 0.00 0.10 0.12 107.32 97.87 1wfq s GLY 31 Ca 0.10 -0.48 0.01 0.00 0.00 0.00 0.00 44.72 44.35 1wfq s GLY 31 CO 0.07 -0.59 0.02 -1.36 0.00 0.00 0.00 173.10 171.24 1wfq s PHE 32 N -3.88 3.14 -0.23 1.90 0.40 0.19 -0.05 117.98 119.46 1wfq s PHE 32 Ca 0.08 0.13 0.01 0.00 -0.60 0.00 0.00 56.93 56.55 1wfq s PHE 32 Cb 0.03 -1.70 0.06 0.00 0.51 0.00 0.00 43.02 41.91 1wfq s PHE 32 CO -0.07 0.49 -0.06 0.42 0.70 0.00 0.00 175.22 176.70 1wfq s ILE 33 N -1.09 1.53 -0.84 0.64 1.01 0.17 -1.56 121.20 121.07 1wfq s ILE 33 Ca 0.20 -1.17 -0.25 0.00 0.00 0.00 0.00 60.65 59.43 1wfq s ILE 33 Cb -0.12 -1.77 0.03 0.00 0.01 0.00 0.00 42.46 40.62 1wfq s ILE 33 CO 0.10 -0.05 1.43 -1.58 0.00 0.00 0.00 174.94 174.84 1wfq s GLN 34 N 1.40 3.25 0.23 2.79 2.00 0.56 -0.28 119.66 129.60 1wfq s GLN 34 Ca -0.05 -0.48 -0.30 0.00 -2.00 0.00 0.00 55.36 52.53 1wfq s GLN 34 Cb -0.18 -4.67 -0.15 0.00 0.80 0.00 0.00 33.01 28.80 1wfq s GLN 34 CO -0.06 -2.30 0.94 0.00 -0.50 0.00 0.00 175.29 173.37 1wfq n SER 36 N 1.62 0.82 -0.10 0.00 7.64 -1.20 -2.38 113.62 120.03 1wfq n SER 36 Ca 0.13 -0.77 -0.22 0.00 1.01 0.00 0.00 58.87 59.02 1wfq n SER 36 Cb 0.28 1.00 -0.12 0.00 -1.01 0.00 0.00 64.21 64.36 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 -1.61 0.65 0.00 1.43 1.02 -1.26 -4.48 120.64 116.40 1wfq n GLU 37 Ca 0.03 0.26 0.10 0.00 -0.02 0.00 0.00 57.16 57.53 1wfq n GLU 37 Cb 0.36 -1.58 -0.09 0.00 -0.02 0.00 0.00 31.44 30.11 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 -3.71 0.15 -3.41 3.49 1.85 -1.26 -5.00 116.66 108.77 1wfq n ARG 38 Ca -0.43 -0.04 -0.18 0.00 -1.00 0.00 0.00 57.85 56.20 1wfq n ARG 38 Cb 0.94 -1.51 0.07 0.00 -1.05 0.00 0.00 32.46 30.91 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 -1.69 -4.57 -4.01 2.89 6.02 -1.00 -5.02 117.38 110.00 1wfq n GLN 39 Ca 0.02 0.81 -0.15 0.00 -0.01 0.00 0.00 57.00 57.67 1wfq n GLN 39 Cb 0.39 -5.68 -0.15 0.00 1.02 0.00 0.00 30.24 25.82 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 -3.42 0.26 -0.67 -1.58 0.00 -1.22 -4.92 121.76 110.22 1wfq s ALA 40 Ca 0.19 -0.05 -0.27 0.00 0.00 0.00 0.00 51.96 51.83 1wfq s ALA 40 Cb -0.03 -0.13 0.01 0.00 0.00 0.00 0.00 23.12 22.97 1wfq s ALA 40 CO 0.75 0.03 1.48 1.03 0.00 0.00 0.00 175.76 179.05 1wfq s ARG 41 N 0.23 3.03 0.58 0.00 0.52 -1.26 -0.56 118.95 121.49 1wfq s ARG 41 Ca -0.02 0.13 -0.05 0.00 -0.52 0.00 0.00 55.73 55.27 1wfq s ARG 41 Cb -0.05 -4.24 0.01 0.00 0.52 0.00 0.00 34.95 31.20 1wfq s ARG 41 CO -0.01 -2.30 0.89 -0.51 0.02 0.00 0.00 175.30 173.39 1wfq s LEU 42 N 6.84 3.26 -0.27 2.53 1.43 0.61 -4.87 118.68 128.20 1wfq s LEU 42 Ca 0.48 0.68 0.03 0.00 -1.03 0.00 0.00 54.13 54.28 1wfq s LEU 42 Cb -0.10 -3.51 0.07 0.00 0.03 0.00 0.00 46.19 42.68 1wfq s LEU 42 CO 0.18 -1.05 -0.07 0.12 0.23 0.00 0.00 176.35 175.77 1wfq s PHE 43 N -2.96 3.17 -0.07 0.29 5.36 -1.26 -0.65 117.98 121.85 1wfq s PHE 43 Ca 0.54 -2.34 -0.03 0.00 -0.96 0.00 0.00 56.93 54.14 1wfq s PHE 43 Cb -0.10 -2.04 -0.04 0.00 -0.34 0.00 0.00 43.02 40.50 1wfq s PHE 43 CO 0.45 -0.87 0.07 -0.59 -1.46 0.00 0.00 175.22 172.81 1wfq s PHE 44 N 1.13 3.34 -0.00 10.12 -0.12 0.93 -3.35 117.98 130.02 1wfq s PHE 44 Ca -0.04 0.30 -0.11 0.00 -0.05 0.00 0.00 56.93 57.03 1wfq s PHE 44 Cb -0.20 -1.82 -0.05 0.00 -0.63 0.00 0.00 43.02 40.32 1wfq s PHE 44 CO -0.06 0.58 0.34 -1.58 -0.05 0.00 0.00 175.22 174.45 1wfq s HIS 45 N -1.02 3.66 0.27 3.49 5.65 -1.26 -0.73 115.29 125.36 1wfq s HIS 45 Ca 0.16 0.81 0.18 0.00 0.25 0.00 0.00 55.06 56.47 1wfq s HIS 45 Cb -0.12 -2.16 0.97 0.00 -1.18 0.00 0.00 32.58 30.09 1wfq s HIS 45 CO 0.06 0.63 1.48 0.00 -0.65 0.00 0.00 174.74 176.26 1wfq h SER 47 N 0.00 0.05 0.01 0.00 0.87 -1.92 -3.33 113.55 109.23 1wfq h SER 47 Ca 0.00 -0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 60.51 1wfq h SER 47 Cb 0.71 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.66 1wfq h SER 47 CO 0.00 1.04 -0.01 1.56 -0.53 0.00 0.00 176.83 178.90 1wfq h GLN 48 N 0.01 -0.01 -6.19 2.24 1.08 0.00 -3.42 115.11 108.82 1wfq h GLN 48 Ca -0.04 0.00 -0.60 0.00 -1.45 0.00 0.00 58.65 56.56 1wfq h GLN 48 Cb 1.81 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 29.25 1wfq h GLN 48 CO 0.14 0.09 1.25 0.98 -0.95 0.00 0.00 178.83 180.34 1wfq n TYR 49 N -5.05 2.18 1.90 2.96 9.36 -1.22 -1.94 117.16 125.35 1wfq n TYR 49 Ca -0.07 -0.06 0.12 0.00 3.32 0.00 0.00 57.90 61.21 1wfq n TYR 49 Cb 0.08 -2.68 0.67 0.00 -0.63 0.00 0.00 39.34 36.78 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 8.32 0.25 0.00 2.98 3.02 -0.92 -4.80 115.26 124.10 1wfq n ASN 50 Ca 0.26 -1.31 0.00 0.00 -0.03 0.00 0.00 54.58 53.51 1wfq n ASN 50 Cb 0.34 -0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.50 1wfq n ASN 50 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wfq n GLY 51 N 0.92 2.26 3.16 7.41 0.00 -1.26 -4.91 105.19 112.77 1wfq n GLY 51 Ca 0.18 -1.84 -0.35 0.00 0.00 0.00 0.00 46.02 44.00 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 -0.78 4.99 0.37 1.61 3.84 -1.26 -4.97 114.94 118.74 1wfq s ASN 52 Ca 0.00 -1.49 0.23 0.00 0.21 0.00 0.00 52.86 51.81 1wfq s ASN 52 Cb 0.00 -1.74 1.33 0.00 -0.55 0.00 0.00 41.25 40.28 1wfq s ASN 52 CO 0.00 -0.34 1.52 0.18 -2.79 0.00 0.00 177.10 175.67 1wfq n LEU 53 N 4.61 0.31 -0.20 3.21 7.99 -1.26 0.10 117.00 131.75 1wfq n LEU 53 Ca -0.10 1.54 0.01 0.00 -0.01 0.00 0.00 56.01 57.46 1wfq n LEU 53 Cb 0.43 -0.75 0.11 0.00 -0.11 0.00 0.00 43.42 43.10 1wfq n LEU 53 CO 0.28 -1.72 0.89 1.56 -1.51 0.00 0.00 177.39 176.89 1wfq h GLN 54 N 0.00 0.19 -0.02 3.23 4.20 -2.02 0.12 115.11 120.82 1wfq h GLN 54 Ca 0.82 -0.01 -0.09 0.00 0.06 0.00 0.00 58.65 59.43 1wfq h GLN 54 Cb 2.28 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 30.01 1wfq h GLN 54 CO -0.68 0.13 -0.43 0.22 -0.67 0.00 0.00 178.83 177.40 1wfq h ASP 55 N 0.20 0.05 -4.23 1.46 1.82 0.23 -3.44 116.42 112.50 1wfq h ASP 55 Ca 0.33 -0.02 -0.50 0.00 -0.39 0.00 0.00 57.03 56.44 1wfq h ASP 55 Cb 0.52 -0.01 0.09 0.00 0.68 0.00 0.00 39.33 40.61 1wfq h ASP 55 CO -0.46 0.48 0.37 -0.22 -1.61 0.00 0.00 179.24 177.79 1wfq s LEU 56 N -8.08 3.34 0.22 2.28 2.96 0.43 -5.06 118.68 114.77 1wfq s LEU 56 Ca -0.03 1.87 -0.23 0.00 -0.22 0.00 0.00 54.13 55.52 1wfq s LEU 56 Cb 0.14 -4.53 0.04 0.00 0.50 0.00 0.00 46.19 42.34 1wfq s LEU 56 CO 0.74 -1.52 0.84 -1.59 -1.32 0.00 0.00 176.35 173.51 1wfq s LYS 57 N -4.32 1.51 -0.29 1.98 -2.85 -1.26 -4.95 119.74 109.56 1wfq s LYS 57 Ca 0.64 -0.84 -0.27 0.00 -1.00 0.00 0.00 55.97 54.50 1wfq s LYS 57 Cb -0.18 0.51 0.01 0.00 -2.06 0.00 0.00 37.83 36.11 1wfq s LYS 57 CO 0.44 -0.69 0.95 0.08 0.10 0.00 0.00 175.35 176.23 1wfq s VAL 58 N -3.56 4.67 0.00 1.79 1.01 -1.26 -3.69 120.40 119.36 1wfq s VAL 58 Ca 0.12 1.61 0.00 0.00 0.00 0.00 0.00 61.98 63.71 1wfq s VAL 58 Cb -0.04 -4.28 0.00 0.00 0.00 0.00 0.00 36.38 32.06 1wfq s VAL 58 CO 0.05 -0.30 0.00 0.61 0.00 0.00 0.00 175.10 175.45 1wfq n GLY 59 N 3.85 1.59 3.13 4.51 0.00 -0.28 -4.98 105.19 113.01 1wfq n GLY 59 Ca 0.09 0.00 -0.30 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 -2.00 2.65 0.37 1.61 1.11 -1.24 -4.91 116.67 114.26 1wfq s ASP 60 Ca 0.00 -0.48 -0.27 0.00 0.18 0.00 0.00 52.55 51.98 1wfq s ASP 60 Cb 0.00 -1.21 -0.11 0.00 1.07 0.00 0.00 42.92 42.67 1wfq s ASP 60 CO 0.00 0.09 1.33 0.47 1.18 0.00 0.00 175.17 178.24 1wfq n ASP 61 N 3.79 2.94 -3.72 0.27 9.92 -1.26 -3.55 116.55 124.95 1wfq n ASP 61 Ca -0.20 1.18 -0.14 0.00 -0.53 0.00 0.00 54.79 55.11 1wfq n ASP 61 Cb 0.52 -1.52 -0.09 0.00 -0.64 0.00 0.00 41.12 39.39 1wfq n ASP 61 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 1wfq s VAL 62 N -1.13 0.01 -0.17 2.53 -7.23 -1.23 -3.54 120.40 109.63 1wfq s VAL 62 Ca 0.56 -0.08 -0.10 0.00 -1.81 0.00 0.00 61.98 60.56 1wfq s VAL 62 Cb -0.53 -0.64 -0.05 0.00 0.56 0.00 0.00 36.38 35.73 1wfq s VAL 62 CO 0.61 -0.04 0.15 -0.70 -0.31 0.00 0.00 175.10 174.81 1wfq s GLU 63 N -0.12 3.99 0.30 4.82 2.12 0.13 -2.51 118.70 127.43 1wfq s GLU 63 Ca -0.03 -0.16 0.03 0.00 0.36 0.00 0.00 54.97 55.17 1wfq s GLU 63 Cb -0.03 -3.36 -0.03 0.00 0.26 0.00 0.00 34.13 30.97 1wfq s GLU 63 CO 0.02 0.43 0.28 -0.59 -0.54 0.00 0.00 175.26 174.86 1wfq s PHE 64 N -0.02 1.48 -0.19 5.30 -0.71 0.40 -0.16 117.98 124.09 1wfq s PHE 64 Ca 0.11 -1.52 -0.00 0.00 -1.04 0.00 0.00 56.93 54.47 1wfq s PHE 64 Cb -0.11 -0.56 0.01 0.00 -1.21 0.00 0.00 43.02 41.15 1wfq s PHE 64 CO 0.00 -0.86 -0.16 -2.00 -1.34 0.00 0.00 175.22 170.86 1wfq s GLU 65 N -3.56 3.07 -0.22 1.99 2.56 -0.89 0.51 118.70 122.16 1wfq s GLU 65 Ca 0.38 -0.79 -0.29 0.00 0.00 0.00 0.00 54.97 54.28 1wfq s GLU 65 Cb 0.03 -2.67 -0.00 0.00 2.00 0.00 0.00 34.13 33.48 1wfq s GLU 65 CO 0.23 -0.21 1.21 0.08 -0.56 0.00 0.00 175.26 176.01 1wfq s VAL 66 N 1.33 4.35 0.39 3.70 1.01 -1.26 -1.91 120.40 128.01 1wfq s VAL 66 Ca 0.05 1.60 0.04 0.00 0.00 0.00 0.00 61.98 63.68 1wfq s VAL 66 Cb -0.13 -4.12 -0.03 0.00 0.00 0.00 0.00 36.38 32.10 1wfq s VAL 66 CO -0.11 -0.24 0.14 -0.55 0.00 0.00 0.00 175.10 174.35 1wfq s SER 67 N 1.97 2.54 -0.18 3.32 0.15 0.39 -4.88 113.70 117.00 1wfq s SER 67 Ca 0.52 -1.65 -0.01 0.00 0.70 0.00 0.00 55.95 55.51 1wfq s SER 67 Cb -0.19 0.47 0.00 0.00 -1.71 0.00 0.00 66.02 64.59 1wfq s SER 67 CO 0.15 -0.92 -0.13 -0.94 1.20 0.00 0.00 173.24 172.59 1wfq s SER 68 N -3.56 3.68 1.26 5.45 1.04 -1.26 -0.44 113.70 119.87 1wfq s SER 68 Ca 0.27 -0.51 -0.19 0.00 0.48 0.00 0.00 55.95 56.00 1wfq s SER 68 Cb 0.03 -1.59 0.29 0.00 0.10 0.00 0.00 66.02 64.85 1wfq s SER 68 CO 0.16 0.02 0.65 -0.67 0.98 0.00 0.00 173.24 174.38 1wfq n ASP 69 N 4.49 -3.55 -0.06 7.02 2.03 -0.96 -4.82 116.55 120.69 1wfq n ASP 69 Ca -0.19 -0.63 -0.04 0.00 0.52 0.00 0.00 54.79 54.45 1wfq n ASP 69 Cb 0.51 -0.92 -0.13 0.00 -0.72 0.00 0.00 41.12 39.87 1wfq n ASP 69 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 1wfq n ARG 70 N -4.02 1.19 -0.07 -0.67 0.00 -1.26 -3.43 116.66 108.40 1wfq n ARG 70 Ca 0.10 -0.05 -0.04 0.00 -0.00 0.00 0.00 57.85 57.86 1wfq n ARG 70 Cb 0.49 -1.41 -0.01 0.00 -0.00 0.00 0.00 32.46 31.52 1wfq n ARG 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1wfq h ARG 71 N 0.00 0.00 0.00 2.89 3.08 -2.00 -3.41 114.38 114.95 1wfq h ARG 71 Ca -0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.73 1wfq h ARG 71 Cb 1.68 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.73 1wfq h ARG 71 CO 0.02 0.01 -1.13 0.25 -1.07 0.00 0.00 179.97 178.04 1wfq n THR 72 N -4.64 0.48 -1.11 2.04 -2.24 -1.26 -4.94 114.28 102.60 1wfq n THR 72 Ca -0.06 -0.50 -0.04 0.00 -2.27 0.00 0.00 64.05 61.18 1wfq n THR 72 Cb 0.23 -0.23 -0.02 0.00 -2.10 0.00 0.00 70.33 68.21 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 1.22 0.42 3.79 3.38 0.00 -1.22 -4.91 105.19 107.87 1wfq n GLY 73 Ca -0.00 -0.02 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.19 3.30 -0.60 1.61 -0.14 -1.26 -4.13 119.74 116.33 1wfq s LYS 74 Ca 0.00 1.31 -0.27 0.00 -1.36 0.00 0.00 55.97 55.65 1wfq s LYS 74 Cb 0.00 -2.02 -0.02 0.00 -1.68 0.00 0.00 37.83 34.10 1wfq s LYS 74 CO 0.00 -0.84 1.86 -1.25 -0.76 0.00 0.00 175.35 174.36 1wfq s PRO 75 N -3.85 2.64 0.31 -1.68 0.04 -1.25 -2.27 135.00 128.93 1wfq s PRO 75 Ca 0.66 0.63 0.09 0.00 0.04 0.00 0.00 61.00 62.42 1wfq s PRO 75 Cb -0.18 -4.38 -0.05 0.00 0.04 0.00 0.00 34.50 29.93 1wfq s PRO 75 CO 0.34 -2.71 0.04 0.96 0.04 0.00 0.00 177.00 175.67 1wfq s ILE 76 N 9.03 3.07 0.20 0.56 -4.36 0.41 -4.62 121.20 125.49 1wfq s ILE 76 Ca 0.67 -1.87 -0.03 0.00 -0.26 0.00 0.00 60.65 59.16 1wfq s ILE 76 Cb -0.13 -2.86 -0.05 0.00 1.25 0.00 0.00 42.46 40.67 1wfq s ILE 76 CO 0.21 -0.27 0.43 0.00 0.24 0.00 0.00 174.94 175.55 1wfq s ALA 77 N -2.41 3.76 0.15 2.27 0.00 -1.21 -0.46 121.76 123.85 1wfq s ALA 77 Ca 0.34 -0.65 -0.11 0.00 0.00 0.00 0.00 51.96 51.54 1wfq s ALA 77 Cb -0.03 -2.13 0.01 0.00 0.00 0.00 0.00 23.12 20.96 1wfq s ALA 77 CO 0.20 0.49 0.32 0.14 0.00 0.00 0.00 175.76 176.92 1wfq s VAL 78 N -1.83 0.07 -1.50 0.00 -7.23 -0.80 -4.49 120.40 104.62 1wfq s VAL 78 Ca 0.41 -1.13 -0.03 0.00 -1.81 0.00 0.00 61.98 59.42 1wfq s VAL 78 Cb -0.11 -1.61 0.02 0.00 0.56 0.00 0.00 36.38 35.24 1wfq s VAL 78 CO 0.27 -0.34 0.34 0.29 -0.31 0.00 0.00 175.10 175.35 1wfq n LYS 79 N -0.21 -2.51 -1.52 4.82 4.76 -1.19 -2.10 118.16 120.21 1wfq n LYS 79 Ca -0.10 0.30 -0.36 0.00 -2.87 0.00 0.00 58.31 55.28 1wfq n LYS 79 Cb 0.63 -4.32 0.09 0.00 -1.84 0.00 0.00 35.03 29.59 1wfq n LYS 79 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 1wfq n LEU 80 N -4.45 5.52 -3.67 -0.35 7.94 -0.82 -4.61 117.00 116.57 1wfq n LEU 80 Ca -0.26 0.75 -0.10 0.00 -1.11 0.00 0.00 56.01 55.29 1wfq n LEU 80 Cb 0.66 -1.54 -0.09 0.00 0.53 0.00 0.00 43.42 42.98 1wfq n LEU 80 CO 0.80 -1.23 0.20 0.68 -1.11 0.00 0.00 177.39 176.73 1wfq s VAL 81 N -1.63 -0.01 -0.05 1.96 -7.23 0.78 -2.16 120.40 112.06 1wfq s VAL 81 Ca 0.80 0.04 -0.30 0.00 -1.81 0.00 0.00 61.98 60.71 1wfq s VAL 81 Cb -0.35 -0.79 -0.05 0.00 0.56 0.00 0.00 36.38 35.75 1wfq s VAL 81 CO 0.44 0.02 1.47 -0.75 -0.31 0.00 0.00 175.10 175.96 1wfq s LYS 82 N 1.33 4.23 0.08 4.82 2.20 -1.26 0.19 119.74 131.33 1wfq s LYS 82 Ca -0.08 2.00 -0.27 0.00 -0.36 0.00 0.00 55.97 57.26 1wfq s LYS 82 Cb -0.06 -3.75 -0.17 0.00 -1.51 0.00 0.00 37.83 32.34 1wfq s LYS 82 CO -0.14 -0.70 1.69 0.82 -0.36 0.00 0.00 175.35 176.66 1wfq h ILE 83 N 5.25 0.75 -3.51 5.43 2.04 -1.90 -3.38 117.51 122.20 1wfq h ILE 83 Ca -0.36 -0.02 -0.69 0.00 1.00 0.00 0.00 64.86 64.79 1wfq h ILE 83 Cb 1.16 0.76 -0.34 0.00 -0.74 0.00 0.00 36.82 37.66 1wfq h ILE 83 CO 0.93 0.00 -0.56 -0.44 0.00 0.00 0.00 178.15 178.09 1wfq s SER 84 N -4.90 5.23 0.00 1.72 0.01 -1.26 -5.02 113.70 109.48 1wfq s SER 84 Ca -0.15 -1.99 0.00 0.00 1.31 0.00 0.00 55.95 55.13 1wfq s SER 84 Cb 0.05 -1.82 0.00 0.00 0.21 0.00 0.00 66.02 64.46 1wfq s SER 84 CO 0.64 -0.52 0.00 0.61 0.41 0.00 0.00 173.24 174.38 1wfq n GLY 85 N 4.59 3.46 3.66 3.44 0.00 -1.26 -5.06 105.19 114.02 1wfq n GLY 85 Ca -0.03 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.94 4.21 -0.38 1.61 0.04 -1.26 -4.93 135.00 133.36 1wfq s PRO 86 Ca 0.00 2.02 -0.15 0.00 0.04 0.00 0.00 61.00 62.91 1wfq s PRO 86 Cb 0.00 -3.86 0.00 0.00 0.04 0.00 0.00 34.50 30.69 1wfq s PRO 86 CO 0.00 -0.77 0.33 -1.12 0.04 0.00 0.00 177.00 175.48 1wfq s SER 87 N 2.74 6.13 -0.37 6.66 0.01 -1.26 -5.04 113.70 122.57 1wfq s SER 87 Ca 0.67 -0.57 0.00 0.00 1.31 0.00 0.00 55.95 57.36 1wfq s SER 87 Cb -0.30 -2.18 0.10 0.00 0.21 0.00 0.00 66.02 63.86 1wfq s SER 87 CO 0.25 -0.40 0.13 -0.55 0.41 0.00 0.00 173.24 173.08 1wfq s SER 88 N 1.73 5.02 0.00 2.44 0.15 -1.26 -5.15 113.70 116.63 1wfq s SER 88 Ca 0.08 -2.05 0.00 0.00 0.70 0.00 0.00 55.95 54.68 1wfq s SER 88 Cb -0.18 -1.74 0.00 0.00 -1.71 0.00 0.00 66.02 62.40 1wfq s SER 88 CO 0.11 -0.46 0.00 0.61 1.20 0.00 0.00 173.24 174.70