#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfq n SER 2 N 0.00 -3.59 -0.00 1.61 7.64 -1.26 -4.91 113.62 113.12 1wfq n SER 2 Ca 0.00 0.63 0.06 0.00 1.01 0.00 0.00 58.87 60.57 1wfq n SER 2 Cb 0.00 -0.82 -0.08 0.00 -1.01 0.00 0.00 64.21 62.29 1wfq n SER 2 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1wfq n SER 3 N 2.44 1.83 0.00 6.43 3.41 -1.26 -5.07 113.62 121.40 1wfq n SER 3 Ca 0.08 -0.21 0.00 0.00 -0.26 0.00 0.00 58.87 58.48 1wfq n SER 3 Cb 0.46 1.40 0.00 0.00 -0.26 0.00 0.00 64.21 65.80 1wfq n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wfq n GLY 4 N 1.68 3.04 3.58 5.00 0.00 -1.26 -4.97 105.19 112.25 1wfq n GLY 4 Ca -0.01 -0.93 -0.25 0.00 0.00 0.00 0.00 46.02 44.83 1wfq n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wfq s SER 5 N 0.00 4.69 0.61 1.61 0.15 -1.26 -4.92 113.70 114.58 1wfq s SER 5 Ca 0.00 -1.35 -0.18 0.00 0.70 0.00 0.00 55.95 55.12 1wfq s SER 5 Cb 0.00 -2.59 -0.07 0.00 -1.71 0.00 0.00 66.02 61.66 1wfq s SER 5 CO 0.00 -3.40 0.60 -0.24 1.20 0.00 0.00 173.24 171.41 1wfq n SER 6 N 15.52 -0.76 0.00 5.45 2.88 -1.26 -4.96 113.62 130.49 1wfq n SER 6 Ca 0.44 0.71 0.00 0.00 -1.33 0.00 0.00 58.87 58.69 1wfq n SER 6 Cb 0.47 -1.22 0.00 0.00 -0.75 0.00 0.00 64.21 62.70 1wfq n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wfq n GLY 7 N 1.67 1.36 0.00 0.46 0.00 -1.26 -5.00 105.19 102.41 1wfq n GLY 7 Ca 0.12 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.39 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 3.07 3.62 -0.02 0.00 -1.26 -5.05 105.19 105.55 1wfq n GLY 8 Ca 0.00 -0.88 -0.31 0.00 0.00 0.00 0.00 46.02 44.83 1wfq n GLY 8 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1wfq n TYR 9 N 0.00 0.41 -2.25 1.61 4.02 -1.26 -4.48 117.16 115.21 1wfq n TYR 9 Ca 0.00 0.33 -0.41 0.00 -0.01 0.00 0.00 57.90 57.82 1wfq n TYR 9 Cb 0.00 -1.95 -0.03 0.00 -0.02 0.00 0.00 39.34 37.34 1wfq n TYR 9 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 1wfq s PRO 10 N -4.50 4.45 -0.13 -0.72 0.04 -1.26 -5.17 135.00 127.71 1wfq s PRO 10 Ca 0.66 2.06 -0.02 0.00 0.04 0.00 0.00 61.00 63.74 1wfq s PRO 10 Cb -0.23 -3.13 0.04 0.00 0.04 0.00 0.00 34.50 31.22 1wfq s PRO 10 CO 0.60 -0.08 0.02 -0.80 0.04 0.00 0.00 177.00 176.78 1wfq s ASN 11 N -0.45 2.22 0.00 6.66 0.01 -1.26 -5.03 114.94 117.08 1wfq s ASN 11 Ca 0.49 -0.44 -0.06 0.00 -0.71 0.00 0.00 52.86 52.14 1wfq s ASN 11 Cb -0.37 -0.51 -0.25 0.00 0.41 0.00 0.00 41.25 40.53 1wfq s ASN 11 CO 0.47 -0.25 3.52 0.61 -1.51 0.00 0.00 177.10 179.94 1wfq n GLY 12 N 5.11 2.96 0.29 0.66 0.00 -1.26 -4.70 105.19 108.26 1wfq n GLY 12 Ca -0.08 -1.14 -0.04 0.00 0.00 0.00 0.00 46.02 44.77 1wfq n GLY 12 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1wfq n THR 13 N 2.44 -0.43 -2.09 2.61 -2.24 -1.26 -4.35 114.28 108.96 1wfq n THR 13 Ca 0.40 1.76 -0.30 0.00 -2.27 0.00 0.00 64.05 63.64 1wfq n THR 13 Cb 0.89 -2.26 0.00 0.00 -2.10 0.00 0.00 70.33 66.87 1wfq n THR 13 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1wfq s SER 14 N -5.31 6.26 0.00 3.42 0.15 -1.26 -4.94 113.70 112.03 1wfq s SER 14 Ca -0.10 1.31 0.11 0.00 0.70 0.00 0.00 55.95 57.98 1wfq s SER 14 Cb 0.12 -2.42 0.50 0.00 -1.71 0.00 0.00 66.02 62.52 1wfq s SER 14 CO 0.50 -0.78 1.33 0.00 1.20 0.00 0.00 173.24 175.49 1wfq n ALA 15 N -2.56 1.56 -0.48 5.45 0.00 -1.26 -4.79 120.51 118.44 1wfq n ALA 15 Ca 0.05 -0.04 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 1wfq n ALA 15 Cb 0.54 -1.18 0.24 0.00 0.00 0.00 0.00 19.45 19.05 1wfq n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wfq n ALA 16 N -1.44 -3.58 -3.58 0.00 0.00 -1.26 -5.05 120.51 105.59 1wfq n ALA 16 Ca 0.03 -1.35 -0.04 0.00 0.00 0.00 0.00 53.44 52.08 1wfq n ALA 16 Cb 0.12 -1.76 -0.06 0.00 0.00 0.00 0.00 19.45 17.74 1wfq n ALA 16 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1wfq s LEU 17 N -5.58 -0.93 -0.12 0.00 1.98 -1.26 -5.01 118.68 107.76 1wfq s LEU 17 Ca 0.64 1.18 -0.29 0.00 -2.89 0.00 0.00 54.13 52.77 1wfq s LEU 17 Cb -0.20 1.83 -0.03 0.00 0.66 0.00 0.00 46.19 48.45 1wfq s LEU 17 CO 0.63 -0.23 1.38 -0.13 -1.89 0.00 0.00 176.35 176.11 1wfq s ARG 18 N 2.76 4.23 0.15 1.98 1.81 -1.26 -4.36 118.95 124.25 1wfq s ARG 18 Ca -0.00 1.83 0.04 0.00 -1.72 0.00 0.00 55.73 55.88 1wfq s ARG 18 Cb -0.13 -3.81 -0.04 0.00 -0.45 0.00 0.00 34.95 30.53 1wfq s ARG 18 CO -0.16 -0.73 0.20 -1.21 -0.68 0.00 0.00 175.30 172.71 1wfq s GLU 19 N 3.54 3.15 0.02 3.54 0.41 0.25 -4.89 118.70 124.71 1wfq s GLU 19 Ca 0.61 -0.72 0.09 0.00 -0.41 0.00 0.00 54.97 54.53 1wfq s GLU 19 Cb -0.26 -2.80 -0.02 0.00 -1.78 0.00 0.00 34.13 29.26 1wfq s GLU 19 CO 0.20 0.51 -0.26 0.95 -0.49 0.00 0.00 175.26 176.17 1wfq s THR 20 N -1.71 2.05 0.00 3.63 -4.23 -1.26 -0.30 115.64 113.81 1wfq s THR 20 Ca 0.33 -1.24 0.00 0.00 -1.18 0.00 0.00 61.69 59.59 1wfq s THR 20 Cb -0.11 -1.73 0.00 0.00 1.34 0.00 0.00 72.50 72.00 1wfq s THR 20 CO 0.26 0.44 0.00 0.61 -0.54 0.00 0.00 174.62 175.39 1wfq n GLY 21 N 2.08 4.34 3.30 3.99 0.00 -1.12 -3.65 105.19 114.12 1wfq n GLY 21 Ca -0.16 -0.41 -0.14 0.00 0.00 0.00 0.00 46.02 45.31 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 1.47 0.03 -0.84 1.61 0.11 -0.76 -3.84 120.40 118.18 1wfq s VAL 22 Ca 0.00 -0.23 -0.25 0.00 -2.93 0.00 0.00 61.98 58.56 1wfq s VAL 22 Cb 0.00 -0.64 0.03 0.00 -1.53 0.00 0.00 36.38 34.24 1wfq s VAL 22 CO 0.00 -0.13 1.40 -0.63 -3.33 0.00 0.00 175.10 172.41 1wfq s ILE 23 N -0.70 3.76 0.02 7.04 -1.09 -1.13 0.22 121.20 129.32 1wfq s ILE 23 Ca -0.08 -0.06 -0.21 0.00 -2.23 0.00 0.00 60.65 58.07 1wfq s ILE 23 Cb -0.04 -4.88 -0.17 0.00 -1.58 0.00 0.00 42.46 35.80 1wfq s ILE 23 CO 0.03 -1.80 1.27 -0.08 -1.23 0.00 0.00 174.94 173.13 1wfq h GLU 24 N 10.28 0.33 -4.58 2.79 4.57 -1.74 0.31 114.58 126.54 1wfq h GLU 24 Ca -0.09 -0.21 -0.25 0.00 -1.18 0.00 0.00 59.36 57.64 1wfq h GLU 24 Cb 1.04 0.03 -0.18 0.00 -0.16 0.00 0.00 28.75 29.47 1wfq h GLU 24 CO 1.33 0.80 -0.72 0.21 -1.18 0.00 0.00 179.01 179.46 1wfq s LYS 25 N -4.00 0.65 -0.09 1.92 2.36 -1.11 -4.78 119.74 114.68 1wfq s LYS 25 Ca -0.14 -1.00 -0.07 0.00 -2.55 0.00 0.00 55.97 52.21 1wfq s LYS 25 Cb 0.04 -0.24 0.03 0.00 -1.05 0.00 0.00 37.83 36.62 1wfq s LYS 25 CO 0.76 0.02 0.23 -1.17 1.55 0.00 0.00 175.35 176.73 1wfq s LEU 26 N -2.21 0.89 0.00 5.43 2.96 -1.26 0.61 118.68 125.10 1wfq s LEU 26 Ca -0.01 0.46 0.02 0.00 -0.22 0.00 0.00 54.13 54.38 1wfq s LEU 26 Cb -0.03 0.73 -0.01 0.00 0.50 0.00 0.00 46.19 47.38 1wfq s LEU 26 CO -0.02 -0.11 0.06 0.18 -1.32 0.00 0.00 176.35 175.14 1wfq n LEU 27 N 3.45 0.00 0.12 -0.68 4.32 0.35 -4.95 117.00 119.62 1wfq n LEU 27 Ca -0.18 -1.80 0.01 0.00 -0.02 0.00 0.00 56.01 54.02 1wfq n LEU 27 Cb 0.56 0.49 -0.00 0.00 -1.62 0.00 0.00 43.42 42.85 1wfq n LEU 27 CO 0.17 -0.27 0.40 0.74 -1.22 0.00 0.00 177.39 177.21 1wfq h THR 28 N 1.32 0.98 0.04 -5.08 2.02 -2.04 -3.34 112.91 106.81 1wfq h THR 28 Ca -0.20 -2.39 -0.37 0.00 0.77 0.00 0.00 66.41 64.22 1wfq h THR 28 Cb 0.71 2.48 -0.05 0.00 -1.74 0.00 0.00 68.15 69.54 1wfq h THR 28 CO 0.32 0.56 -2.25 -0.24 0.37 0.00 0.00 175.52 174.28 1wfq n SER 29 N -3.23 1.70 -2.26 4.18 2.88 -1.26 -5.00 113.62 110.63 1wfq n SER 29 Ca 0.01 0.04 -0.04 0.00 -1.33 0.00 0.00 58.87 57.55 1wfq n SER 29 Cb 0.77 -0.36 0.02 0.00 -0.75 0.00 0.00 64.21 63.88 1wfq n SER 29 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wfq n TYR 30 N -3.25 -1.58 -3.82 0.66 0.18 -1.25 -3.18 117.16 104.91 1wfq n TYR 30 Ca -0.37 -1.05 -0.10 0.00 1.88 0.00 0.00 57.90 58.26 1wfq n TYR 30 Cb 1.03 0.52 -0.06 0.00 -0.38 0.00 0.00 39.34 40.46 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 -2.53 0.12 0.09 -7.48 0.00 -0.18 0.13 107.32 97.46 1wfq s GLY 31 Ca 0.12 -0.52 0.03 0.00 0.00 0.00 0.00 44.72 44.36 1wfq s GLY 31 CO 0.06 -0.61 0.07 -1.36 0.00 0.00 0.00 173.10 171.26 1wfq s PHE 32 N -3.89 3.15 -0.18 1.90 0.40 0.20 -0.37 117.98 119.19 1wfq s PHE 32 Ca 0.10 0.05 -0.01 0.00 -0.60 0.00 0.00 56.93 56.47 1wfq s PHE 32 Cb 0.03 -1.60 0.05 0.00 0.51 0.00 0.00 43.02 42.00 1wfq s PHE 32 CO -0.06 0.51 -0.03 0.42 0.70 0.00 0.00 175.22 176.76 1wfq s ILE 33 N -1.39 1.04 -0.66 0.64 1.01 0.90 -2.03 121.20 120.70 1wfq s ILE 33 Ca 0.29 -0.70 -0.27 0.00 0.00 0.00 0.00 60.65 59.96 1wfq s ILE 33 Cb -0.12 -1.30 0.02 0.00 0.01 0.00 0.00 42.46 41.07 1wfq s ILE 33 CO 0.21 0.02 1.40 -1.58 0.00 0.00 0.00 174.94 174.99 1wfq s GLN 34 N 1.65 3.15 0.53 2.79 2.00 0.58 0.17 119.66 130.54 1wfq s GLN 34 Ca -0.01 0.11 -0.20 0.00 -2.00 0.00 0.00 55.36 53.26 1wfq s GLN 34 Cb -0.16 -4.19 -0.07 0.00 0.80 0.00 0.00 33.01 29.39 1wfq s GLN 34 CO -0.07 -2.16 0.95 0.00 -0.50 0.00 0.00 175.29 173.51 1wfq n SER 36 N -0.20 1.21 -0.11 0.00 7.64 -1.24 -3.56 113.62 117.38 1wfq n SER 36 Ca 0.12 -1.11 -0.16 0.00 1.01 0.00 0.00 58.87 58.73 1wfq n SER 36 Cb 0.44 0.47 -0.09 0.00 -1.01 0.00 0.00 64.21 64.02 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 -0.25 0.51 -0.00 1.43 -0.58 -1.26 -4.58 120.64 115.90 1wfq n GLU 37 Ca 0.04 0.14 0.10 0.00 -0.42 0.00 0.00 57.16 57.02 1wfq n GLU 37 Cb 0.21 -1.39 -0.12 0.00 -0.57 0.00 0.00 31.44 29.57 1wfq n GLU 37 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 1wfq n ARG 38 N -3.27 0.16 -3.47 3.49 1.85 -1.26 -5.00 116.66 109.17 1wfq n ARG 38 Ca -0.38 -0.01 -0.18 0.00 -1.00 0.00 0.00 57.85 56.28 1wfq n ARG 38 Cb 0.88 -1.48 0.08 0.00 -1.05 0.00 0.00 32.46 30.89 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 -1.54 -6.61 -4.04 2.89 6.02 -1.23 -5.02 117.38 107.86 1wfq n GLN 39 Ca 0.03 0.83 -0.16 0.00 -0.01 0.00 0.00 57.00 57.69 1wfq n GLN 39 Cb 0.34 -5.81 -0.15 0.00 1.02 0.00 0.00 30.24 25.64 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 -3.38 0.33 -0.54 -1.58 0.00 -1.25 -4.95 121.76 110.39 1wfq s ALA 40 Ca 0.06 -0.05 -0.28 0.00 0.00 0.00 0.00 51.96 51.69 1wfq s ALA 40 Cb -0.03 -0.17 0.00 0.00 0.00 0.00 0.00 23.12 22.92 1wfq s ALA 40 CO 0.74 0.03 1.54 1.03 0.00 0.00 0.00 175.76 179.09 1wfq s ARG 41 N 0.32 3.18 0.51 0.00 0.52 -1.26 -1.08 118.95 121.15 1wfq s ARG 41 Ca -0.03 0.59 -0.06 0.00 -0.52 0.00 0.00 55.73 55.71 1wfq s ARG 41 Cb -0.06 -4.18 -0.03 0.00 0.52 0.00 0.00 34.95 31.20 1wfq s ARG 41 CO -0.01 -2.07 0.82 -0.51 0.02 0.00 0.00 175.30 173.56 1wfq s LEU 42 N 6.69 3.52 -0.30 2.53 1.43 0.13 -4.88 118.68 127.80 1wfq s LEU 42 Ca 0.58 0.92 0.02 0.00 -1.03 0.00 0.00 54.13 54.61 1wfq s LEU 42 Cb -0.12 -3.85 0.07 0.00 0.03 0.00 0.00 46.19 42.31 1wfq s LEU 42 CO 0.25 -0.69 -0.02 0.12 0.23 0.00 0.00 176.35 176.24 1wfq s PHE 43 N -2.82 3.42 -0.09 0.29 5.36 -1.26 -0.07 117.98 122.81 1wfq s PHE 43 Ca 0.49 -2.40 -0.05 0.00 -0.96 0.00 0.00 56.93 54.01 1wfq s PHE 43 Cb -0.10 -2.34 -0.04 0.00 -0.34 0.00 0.00 43.02 40.20 1wfq s PHE 43 CO 0.46 -0.89 0.11 -0.59 -1.46 0.00 0.00 175.22 172.85 1wfq s PHE 44 N 1.09 3.47 -0.02 10.12 -0.71 0.50 -3.20 117.98 129.23 1wfq s PHE 44 Ca -0.02 0.41 -0.13 0.00 -1.04 0.00 0.00 56.93 56.16 1wfq s PHE 44 Cb -0.20 -1.88 -0.05 0.00 -1.21 0.00 0.00 43.02 39.68 1wfq s PHE 44 CO -0.05 0.66 0.36 -1.58 -1.34 0.00 0.00 175.22 173.27 1wfq s HIS 45 N -1.04 3.70 0.65 3.49 2.46 -1.26 -1.01 115.29 122.28 1wfq s HIS 45 Ca 0.16 0.90 0.27 0.00 0.47 0.00 0.00 55.06 56.86 1wfq s HIS 45 Cb -0.12 -2.23 1.43 0.00 -0.13 0.00 0.00 32.58 31.53 1wfq s HIS 45 CO 0.06 0.65 1.81 0.00 -2.47 0.00 0.00 174.74 174.79 1wfq h SER 47 N 0.00 0.25 0.32 0.00 0.87 -1.93 -3.30 113.55 109.77 1wfq h SER 47 Ca 0.04 -0.19 -0.02 0.00 -1.23 0.00 0.00 61.79 60.39 1wfq h SER 47 Cb 0.91 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.80 1wfq h SER 47 CO -0.00 0.96 -0.16 1.56 -0.53 0.00 0.00 176.83 178.67 1wfq h GLN 48 N 0.12 -0.42 -6.22 2.24 1.08 -0.32 -3.42 115.11 108.16 1wfq h GLN 48 Ca -0.04 0.03 -0.67 0.00 -1.45 0.00 0.00 58.65 56.52 1wfq h GLN 48 Cb 1.43 0.10 0.02 0.00 -0.05 0.00 0.00 27.48 28.97 1wfq h GLN 48 CO 0.12 -0.25 1.01 0.98 -0.95 0.00 0.00 178.83 179.75 1wfq n TYR 49 N -5.26 2.21 0.02 2.96 9.36 -1.22 -2.80 117.16 122.44 1wfq n TYR 49 Ca -0.10 0.23 -0.16 0.00 3.32 0.00 0.00 57.90 61.19 1wfq n TYR 49 Cb 0.21 -2.58 -0.05 0.00 -0.63 0.00 0.00 39.34 36.29 1wfq n TYR 49 CO 0.00 0.00 0.00 -0.91 0.22 0.00 0.00 176.86 176.17 1wfq h ASN 50 N 8.32 0.77 0.00 2.98 2.35 -1.74 -3.45 115.58 124.81 1wfq h ASN 50 Ca -0.48 -0.55 0.00 0.00 -0.55 0.00 0.00 56.30 54.72 1wfq h ASN 50 Cb 1.29 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 39.43 1wfq h ASN 50 CO 0.95 1.34 0.00 0.61 -1.65 0.00 0.00 177.43 178.68 1wfq n GLY 51 N 0.81 -2.71 2.97 2.83 0.00 -1.26 -5.00 105.19 102.83 1wfq n GLY 51 Ca -0.08 -0.95 -0.30 0.00 0.00 0.00 0.00 46.02 44.69 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 -1.81 3.52 0.31 1.61 4.22 -1.26 -4.99 114.94 116.54 1wfq s ASN 52 Ca 0.00 -0.98 0.20 0.00 -2.14 0.00 0.00 52.86 49.94 1wfq s ASN 52 Cb 0.00 -1.19 1.11 0.00 1.28 0.00 0.00 41.25 42.46 1wfq s ASN 52 CO 0.00 -0.18 1.25 0.18 -2.04 0.00 0.00 177.10 176.31 1wfq n LEU 53 N 4.69 0.24 -0.22 3.54 7.99 -1.26 0.12 117.00 132.10 1wfq n LEU 53 Ca -0.13 1.25 0.01 0.00 -0.01 0.00 0.00 56.01 57.13 1wfq n LEU 53 Cb 0.46 -0.61 0.10 0.00 -0.11 0.00 0.00 43.42 43.26 1wfq n LEU 53 CO 0.19 -1.39 0.79 1.56 -1.51 0.00 0.00 177.39 177.04 1wfq h GLN 54 N 0.00 0.06 -0.22 3.23 4.20 -2.02 0.12 115.11 120.49 1wfq h GLN 54 Ca 0.69 -0.00 -0.12 0.00 0.06 0.00 0.00 58.65 59.27 1wfq h GLN 54 Cb 1.95 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 29.71 1wfq h GLN 54 CO -0.53 0.04 -0.39 0.22 -0.67 0.00 0.00 178.83 177.50 1wfq h ASP 55 N 0.06 0.52 -4.15 1.46 3.58 0.47 -3.44 116.42 114.92 1wfq h ASP 55 Ca 0.34 -0.22 -0.50 0.00 0.42 0.00 0.00 57.03 57.06 1wfq h ASP 55 Cb 0.55 -0.15 0.09 0.00 1.72 0.00 0.00 39.33 41.54 1wfq h ASP 55 CO -0.61 0.86 0.40 -0.22 -2.88 0.00 0.00 179.24 176.79 1wfq s LEU 56 N -8.48 3.54 0.35 2.28 2.96 0.43 -5.05 118.68 114.72 1wfq s LEU 56 Ca -0.07 2.06 -0.15 0.00 -0.22 0.00 0.00 54.13 55.76 1wfq s LEU 56 Cb 0.13 -4.56 0.04 0.00 0.50 0.00 0.00 46.19 42.29 1wfq s LEU 56 CO 0.81 -1.44 0.71 -1.59 -1.32 0.00 0.00 176.35 173.53 1wfq s LYS 57 N -3.76 2.07 -0.19 1.98 -2.85 -1.26 -4.92 119.74 110.81 1wfq s LYS 57 Ca 0.69 -1.40 -0.22 0.00 -1.00 0.00 0.00 55.97 54.05 1wfq s LYS 57 Cb -0.22 0.59 -0.02 0.00 -2.06 0.00 0.00 37.83 36.12 1wfq s LYS 57 CO 0.35 -0.95 0.68 0.08 0.10 0.00 0.00 175.35 175.61 1wfq s VAL 58 N -2.80 4.98 0.00 1.79 1.01 -1.26 -3.93 120.40 120.19 1wfq s VAL 58 Ca 0.17 1.30 0.00 0.00 0.00 0.00 0.00 61.98 63.45 1wfq s VAL 58 Cb -0.04 -3.99 0.00 0.00 0.00 0.00 0.00 36.38 32.34 1wfq s VAL 58 CO 0.12 0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.92 1wfq n GLY 59 N 3.71 1.30 3.32 4.51 0.00 0.11 -4.98 105.19 113.16 1wfq n GLY 59 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 2.95 0.24 1.61 1.01 -1.25 -4.89 116.67 114.34 1wfq s ASP 60 Ca 0.00 -0.61 -0.30 0.00 0.71 0.00 0.00 52.55 52.36 1wfq s ASP 60 Cb 0.00 -0.24 -0.09 0.00 1.01 0.00 0.00 42.92 43.60 1wfq s ASP 60 CO 0.00 0.20 1.21 -1.81 0.21 0.00 0.00 175.17 174.98 1wfq s ASP 61 N -1.42 7.05 -0.13 0.27 1.11 -1.26 -2.84 116.67 119.45 1wfq s ASP 61 Ca 0.11 2.36 -0.15 0.00 0.18 0.00 0.00 52.55 55.05 1wfq s ASP 61 Cb -0.10 -2.62 0.04 0.00 1.07 0.00 0.00 42.92 41.31 1wfq s ASP 61 CO 0.03 -0.36 0.40 0.68 1.18 0.00 0.00 175.17 177.10 1wfq s VAL 62 N -0.54 0.01 -0.17 -1.27 -7.23 -1.25 -3.35 120.40 106.60 1wfq s VAL 62 Ca 0.50 -0.07 -0.09 0.00 -1.81 0.00 0.00 61.98 60.51 1wfq s VAL 62 Cb -0.34 -0.59 -0.05 0.00 0.56 0.00 0.00 36.38 35.96 1wfq s VAL 62 CO 0.41 -0.04 0.13 -0.70 -0.31 0.00 0.00 175.10 174.60 1wfq s GLU 63 N -0.06 3.91 0.30 4.82 2.12 0.93 -2.78 118.70 127.93 1wfq s GLU 63 Ca -0.02 -0.18 0.03 0.00 0.36 0.00 0.00 54.97 55.15 1wfq s GLU 63 Cb -0.03 -3.33 -0.03 0.00 0.26 0.00 0.00 34.13 31.00 1wfq s GLU 63 CO 0.01 0.48 0.29 -0.59 -0.54 0.00 0.00 175.26 174.92 1wfq s PHE 64 N -0.16 1.45 -0.16 5.30 -0.71 0.59 0.17 117.98 124.45 1wfq s PHE 64 Ca 0.11 -1.50 0.01 0.00 -1.04 0.00 0.00 56.93 54.50 1wfq s PHE 64 Cb -0.11 -0.53 0.02 0.00 -1.21 0.00 0.00 43.02 41.19 1wfq s PHE 64 CO 0.00 -0.88 -0.16 -2.00 -1.34 0.00 0.00 175.22 170.85 1wfq s GLU 65 N -3.55 2.53 -0.13 1.99 2.12 -0.69 0.87 118.70 121.84 1wfq s GLU 65 Ca 0.38 -0.67 -0.29 0.00 0.36 0.00 0.00 54.97 54.74 1wfq s GLU 65 Cb 0.03 -2.29 -0.03 0.00 0.26 0.00 0.00 34.13 32.10 1wfq s GLU 65 CO 0.22 -0.24 1.40 0.08 -0.54 0.00 0.00 175.26 176.18 1wfq s VAL 66 N 1.41 4.04 0.45 3.70 1.01 -1.26 -1.67 120.40 128.08 1wfq s VAL 66 Ca 0.05 1.25 0.03 0.00 0.00 0.00 0.00 61.98 63.31 1wfq s VAL 66 Cb -0.13 -3.82 -0.03 0.00 0.00 0.00 0.00 36.38 32.40 1wfq s VAL 66 CO -0.11 -0.12 0.05 -0.44 0.00 0.00 0.00 175.10 174.47 1wfq s SER 67 N 2.48 3.54 -0.31 3.32 0.01 0.45 -4.93 113.70 118.27 1wfq s SER 67 Ca 0.61 -1.60 -0.01 0.00 1.31 0.00 0.00 55.95 56.26 1wfq s SER 67 Cb -0.25 0.34 0.06 0.00 0.21 0.00 0.00 66.02 66.37 1wfq s SER 67 CO 0.20 -0.80 0.01 -0.94 0.41 0.00 0.00 173.24 172.12 1wfq s SER 68 N -3.74 4.87 0.99 2.44 1.04 -1.26 -1.33 113.70 116.71 1wfq s SER 68 Ca 0.18 -1.38 -0.17 0.00 0.48 0.00 0.00 55.95 55.06 1wfq s SER 68 Cb 0.04 -1.70 0.05 0.00 0.10 0.00 0.00 66.02 64.50 1wfq s SER 68 CO 0.10 -0.28 -0.25 -0.67 0.98 0.00 0.00 173.24 173.11 1wfq n ASP 69 N 4.59 -2.70 -0.00 7.02 2.03 -1.00 -4.81 116.55 121.67 1wfq n ASP 69 Ca -0.12 -0.18 0.04 0.00 0.52 0.00 0.00 54.79 55.06 1wfq n ASP 69 Cb 0.43 -0.74 -0.06 0.00 -0.72 0.00 0.00 41.12 40.04 1wfq n ASP 69 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1wfq n ARG 70 N -0.52 2.99 -0.13 -0.67 3.00 -1.26 -3.46 116.66 116.62 1wfq n ARG 70 Ca 0.02 -0.02 -0.25 0.00 -0.01 0.00 0.00 57.85 57.58 1wfq n ARG 70 Cb 0.50 -1.00 -0.11 0.00 0.00 0.00 0.00 32.46 31.85 1wfq n ARG 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1wfq n ARG 71 N -1.38 0.61 -0.00 5.56 5.12 -1.26 -4.66 116.66 120.64 1wfq n ARG 71 Ca 0.01 0.26 0.06 0.00 -1.93 0.00 0.00 57.85 56.24 1wfq n ARG 71 Cb 0.17 -1.53 -0.08 0.00 -1.16 0.00 0.00 32.46 29.85 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 -3.95 0.00 -1.28 0.55 -2.24 -1.26 -4.99 114.28 101.11 1wfq n THR 72 Ca -0.49 -0.25 -0.10 0.00 -2.27 0.00 0.00 64.05 60.94 1wfq n THR 72 Cb 0.91 0.53 -0.04 0.00 -2.10 0.00 0.00 70.33 69.62 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 1.63 1.01 3.85 3.38 0.00 -1.22 -4.95 105.19 108.89 1wfq n GLY 73 Ca -0.01 -0.13 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.66 3.99 -0.40 1.61 -0.14 -1.26 -4.41 119.74 116.47 1wfq s LYS 74 Ca 0.00 0.83 -0.28 0.00 -1.36 0.00 0.00 55.97 55.16 1wfq s LYS 74 Cb 0.00 -2.26 -0.01 0.00 -1.68 0.00 0.00 37.83 33.88 1wfq s LYS 74 CO 0.00 -0.08 1.73 -1.25 -0.76 0.00 0.00 175.35 175.00 1wfq s PRO 75 N -3.60 3.24 0.36 -1.68 0.04 -1.26 -2.39 135.00 129.72 1wfq s PRO 75 Ca 0.57 1.17 0.09 0.00 0.04 0.00 0.00 61.00 62.86 1wfq s PRO 75 Cb -0.10 -4.20 -0.07 0.00 0.04 0.00 0.00 34.50 30.17 1wfq s PRO 75 CO 0.24 -1.97 -0.06 0.96 0.04 0.00 0.00 177.00 176.20 1wfq s ILE 76 N 7.04 2.18 0.24 0.56 -4.36 -0.44 -4.62 121.20 121.80 1wfq s ILE 76 Ca 0.74 -2.14 -0.10 0.00 -0.26 0.00 0.00 60.65 58.89 1wfq s ILE 76 Cb -0.19 -2.75 -0.07 0.00 1.25 0.00 0.00 42.46 40.70 1wfq s ILE 76 CO 0.31 -0.15 0.56 0.00 0.24 0.00 0.00 174.94 175.91 1wfq s ALA 77 N -2.63 3.55 0.04 2.27 0.00 -1.19 -0.41 121.76 123.38 1wfq s ALA 77 Ca 0.33 -0.27 -0.16 0.00 0.00 0.00 0.00 51.96 51.86 1wfq s ALA 77 Cb 0.04 -2.45 0.03 0.00 0.00 0.00 0.00 23.12 20.74 1wfq s ALA 77 CO 0.17 0.47 0.36 0.14 0.00 0.00 0.00 175.76 176.90 1wfq s VAL 78 N -1.86 0.07 -1.43 0.00 -7.23 -0.67 -4.46 120.40 104.82 1wfq s VAL 78 Ca 0.48 -0.55 -0.06 0.00 -1.81 0.00 0.00 61.98 60.04 1wfq s VAL 78 Cb -0.11 -0.93 0.04 0.00 0.56 0.00 0.00 36.38 35.94 1wfq s VAL 78 CO 0.22 -0.30 0.74 0.29 -0.31 0.00 0.00 175.10 175.74 1wfq n LYS 79 N 0.58 -4.68 -1.46 4.82 5.02 -1.23 -1.71 118.16 119.50 1wfq n LYS 79 Ca -0.19 0.55 -0.36 0.00 -2.02 0.00 0.00 58.31 56.30 1wfq n LYS 79 Cb 0.59 -5.15 0.08 0.00 -0.02 0.00 0.00 35.03 30.54 1wfq n LYS 79 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1wfq n LEU 80 N -4.44 4.46 -3.66 -0.35 7.94 -1.12 -4.61 117.00 115.23 1wfq n LEU 80 Ca -0.16 0.72 -0.05 0.00 -1.11 0.00 0.00 56.01 55.40 1wfq n LEU 80 Cb 0.62 -1.47 -0.07 0.00 0.53 0.00 0.00 43.42 43.03 1wfq n LEU 80 CO 0.73 -1.65 0.19 0.68 -1.11 0.00 0.00 177.39 176.24 1wfq s VAL 81 N -1.70 -0.57 0.10 1.96 -7.23 0.13 -2.44 120.40 110.64 1wfq s VAL 81 Ca 0.77 0.06 -0.31 0.00 -1.81 0.00 0.00 61.98 60.68 1wfq s VAL 81 Cb -0.35 -0.86 -0.09 0.00 0.56 0.00 0.00 36.38 35.63 1wfq s VAL 81 CO 0.47 0.02 1.67 -0.75 -0.31 0.00 0.00 175.10 176.20 1wfq s LYS 82 N 2.37 4.19 0.02 4.82 2.20 -1.26 -0.05 119.74 132.03 1wfq s LYS 82 Ca -0.06 2.38 -0.25 0.00 -0.36 0.00 0.00 55.97 57.68 1wfq s LYS 82 Cb -0.10 -3.52 -0.18 0.00 -1.51 0.00 0.00 37.83 32.53 1wfq s LYS 82 CO -0.17 -0.73 1.39 0.82 -0.36 0.00 0.00 175.35 176.30 1wfq h ILE 83 N 4.64 1.06 -3.56 5.43 2.04 -1.89 -3.41 117.51 121.82 1wfq h ILE 83 Ca -0.43 -0.66 -0.71 0.00 1.00 0.00 0.00 64.86 64.06 1wfq h ILE 83 Cb 1.20 1.48 -0.20 0.00 -0.74 0.00 0.00 36.82 38.56 1wfq h ILE 83 CO 0.93 0.16 -0.42 -0.94 0.00 0.00 0.00 178.15 177.88 1wfq s SER 84 N -5.35 6.11 -0.46 1.72 1.04 -1.26 -4.95 113.70 110.55 1wfq s SER 84 Ca -0.15 -0.74 0.03 0.00 0.48 0.00 0.00 55.95 55.57 1wfq s SER 84 Cb 0.03 -2.16 0.22 0.00 0.10 0.00 0.00 66.02 64.20 1wfq s SER 84 CO 0.63 -0.40 0.90 0.61 0.98 0.00 0.00 173.24 175.96 1wfq n GLY 85 N 5.13 -0.78 3.60 7.32 0.00 -1.26 -5.07 105.19 114.13 1wfq n GLY 85 Ca -0.11 0.61 -0.30 0.00 0.00 0.00 0.00 46.02 46.22 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 0.77 -1.05 0.19 1.61 0.04 -1.26 -5.07 135.00 130.22 1wfq s PRO 86 Ca 0.29 -0.01 0.07 0.00 0.04 0.00 0.00 61.00 61.39 1wfq s PRO 86 Cb 0.10 -1.61 -0.04 0.00 0.04 0.00 0.00 34.50 32.99 1wfq s PRO 86 CO -0.11 -3.61 0.01 -1.54 0.04 0.00 0.00 177.00 171.78 1wfq s SER 87 N -3.85 4.78 0.06 6.66 1.04 -1.26 -5.12 113.70 116.01 1wfq s SER 87 Ca 0.70 -0.41 -0.12 0.00 0.48 0.00 0.00 55.95 56.60 1wfq s SER 87 Cb -0.11 -1.01 -0.06 0.00 0.10 0.00 0.00 66.02 64.94 1wfq s SER 87 CO 0.56 0.08 0.42 -0.94 0.98 0.00 0.00 173.24 174.33 1wfq s SER 88 N -3.04 6.71 0.00 7.02 1.04 -1.26 -5.36 113.70 118.80 1wfq s SER 88 Ca 0.28 0.87 0.00 0.00 0.48 0.00 0.00 55.95 57.58 1wfq s SER 88 Cb -0.09 -2.21 0.00 0.00 0.10 0.00 0.00 66.02 63.82 1wfq s SER 88 CO 0.19 0.21 0.00 0.61 0.98 0.00 0.00 173.24 175.23