#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfp s SER 2 N 0.00 0.17 -0.19 1.61 0.01 -1.26 -5.05 113.70 108.99 1wfp s SER 2 Ca 0.00 -0.37 0.12 0.00 1.31 0.00 0.00 55.95 57.00 1wfp s SER 2 Cb 0.00 0.10 -0.23 0.00 0.21 0.00 0.00 66.02 66.10 1wfp s SER 2 CO 0.00 -0.25 0.09 -1.54 0.41 0.00 0.00 173.24 171.95 1wfp n SER 3 N 1.87 0.77 0.00 2.44 3.41 -1.26 -5.11 113.62 115.74 1wfp n SER 3 Ca -0.22 0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.43 1wfp n SER 3 Cb 0.56 0.37 0.00 0.00 -0.26 0.00 0.00 64.21 64.88 1wfp n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wfp n GLY 4 N 1.87 -1.94 3.34 5.00 0.00 -1.26 -5.04 105.19 107.16 1wfp n GLY 4 Ca -0.34 -2.19 -0.05 0.00 0.00 0.00 0.00 46.02 43.43 1wfp n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wfp s SER 5 N -1.04 -0.58 -0.94 1.61 1.04 -1.26 -5.10 113.70 107.44 1wfp s SER 5 Ca 0.00 1.08 -0.07 0.00 0.48 0.00 0.00 55.95 57.44 1wfp s SER 5 Cb 0.00 1.69 0.24 0.00 0.10 0.00 0.00 66.02 68.05 1wfp s SER 5 CO 0.00 -0.24 0.87 -0.55 0.98 0.00 0.00 173.24 174.30 1wfp s SER 6 N 2.72 6.58 0.46 7.02 0.15 -1.26 -5.03 113.70 124.34 1wfp s SER 6 Ca 0.00 -3.38 0.00 0.00 0.70 0.00 0.00 55.95 53.28 1wfp s SER 6 Cb -0.13 -2.08 -0.00 0.00 -1.71 0.00 0.00 66.02 62.10 1wfp s SER 6 CO -0.16 -0.32 0.02 0.61 1.20 0.00 0.00 173.24 174.59 1wfp n GLY 7 N 2.92 3.57 3.43 9.45 0.00 -1.26 -5.16 105.19 118.14 1wfp n GLY 7 Ca 0.19 -2.33 -0.11 0.00 0.00 0.00 0.00 46.02 43.78 1wfp n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wfp s THR 8 N -2.75 -0.01 -0.13 2.61 2.01 -1.26 -5.08 115.64 111.04 1wfp s THR 8 Ca 0.02 0.03 -0.13 0.00 0.31 0.00 0.00 61.69 61.93 1wfp s THR 8 Cb 0.00 -0.76 -0.04 0.00 0.01 0.00 0.00 72.50 71.70 1wfp s THR 8 CO 0.02 0.01 -0.25 0.54 -0.69 0.00 0.00 174.62 174.25 1wfp n ARG 9 N 3.74 0.38 0.00 4.92 3.00 -1.26 -5.14 116.66 122.30 1wfp n ARG 9 Ca -0.19 0.15 0.00 0.00 -0.01 0.00 0.00 57.85 57.80 1wfp n ARG 9 Cb 0.57 -1.16 0.00 0.00 0.00 0.00 0.00 32.46 31.87 1wfp n ARG 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1wfp n GLY 10 N 1.49 0.96 0.00 -0.13 0.00 -1.26 -5.13 105.19 101.12 1wfp n GLY 10 Ca -0.10 -2.25 0.00 0.00 0.00 0.00 0.00 46.02 43.67 1wfp n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wfp n GLY 11 N -0.64 2.15 3.53 -0.02 0.00 -1.26 -5.05 105.19 103.90 1wfp n GLY 11 Ca 0.00 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 1wfp n GLY 11 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wfp s ASP 12 N 0.00 6.56 -0.01 1.61 1.11 -1.26 -4.95 116.67 119.73 1wfp s ASP 12 Ca 0.00 -1.70 0.01 0.00 0.18 0.00 0.00 52.55 51.04 1wfp s ASP 12 Cb 0.00 -2.52 0.01 0.00 1.07 0.00 0.00 42.92 41.48 1wfp s ASP 12 CO 0.00 -1.35 -0.02 -0.94 1.18 0.00 0.00 175.17 174.04 1wfp s SER 13 N 4.51 0.40 -0.32 0.27 1.04 -1.26 -5.12 113.70 113.21 1wfp s SER 13 Ca 0.42 -0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.81 1wfp s SER 13 Cb -0.01 -0.12 0.10 0.00 0.10 0.00 0.00 66.02 66.09 1wfp s SER 13 CO -0.09 -0.01 0.10 0.00 0.98 0.00 0.00 173.24 174.21 1wfp s ALA 14 N 0.35 1.84 -0.72 5.32 0.00 -1.26 -5.03 121.76 122.26 1wfp s ALA 14 Ca -0.03 -1.89 0.04 0.00 0.00 0.00 0.00 51.96 50.07 1wfp s ALA 14 Cb -0.06 -1.71 0.27 0.00 0.00 0.00 0.00 23.12 21.62 1wfp s ALA 14 CO -0.01 -1.69 0.94 0.00 0.00 0.00 0.00 175.76 175.00 1wfp n ALA 15 N 4.66 4.40 -4.08 0.00 0.00 -1.26 -4.88 120.51 119.35 1wfp n ALA 15 Ca -0.00 -4.77 -0.28 0.00 0.00 0.00 0.00 53.44 48.39 1wfp n ALA 15 Cb 0.42 -1.18 -0.08 0.00 0.00 0.00 0.00 19.45 18.61 1wfp n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wfp n ALA 16 N 0.78 -1.91 -2.09 0.00 0.00 -1.26 -4.52 120.51 111.51 1wfp n ALA 16 Ca 0.30 -0.38 -0.43 0.00 0.00 0.00 0.00 53.44 52.93 1wfp n ALA 16 Cb 0.39 -0.78 -0.03 0.00 0.00 0.00 0.00 19.45 19.03 1wfp n ALA 16 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1wfp s PRO 17 N -6.84 3.46 0.43 0.00 0.04 -1.26 -4.86 135.00 125.97 1wfp s PRO 17 Ca 0.03 1.36 0.24 0.00 0.04 0.00 0.00 61.00 62.66 1wfp s PRO 17 Cb -0.01 -4.14 0.64 0.00 0.04 0.00 0.00 34.50 31.02 1wfp s PRO 17 CO 0.87 -1.71 1.71 -0.07 0.04 0.00 0.00 177.00 177.84 1wfp h LEU 18 N 13.05 0.00-10.31 -3.56 4.07 -2.03 -3.45 115.31 113.07 1wfp h LEU 18 Ca -0.32 0.00 -0.51 0.00 0.08 0.00 0.00 57.88 57.13 1wfp h LEU 18 Cb 1.15 0.00 0.14 0.00 1.08 0.00 0.00 40.66 43.03 1wfp h LEU 18 CO 1.04 0.15 0.29 -1.81 -1.08 0.00 0.00 178.44 177.03 1wfp s ASP 19 N -6.14 4.12 1.02 -0.43 1.01 -1.26 -5.03 116.67 109.95 1wfp s ASP 19 Ca 0.04 1.80 -0.13 0.00 0.71 0.00 0.00 52.55 54.97 1wfp s ASP 19 Cb 0.07 -2.46 0.20 0.00 1.01 0.00 0.00 42.92 41.74 1wfp s ASP 19 CO 0.65 -2.28 1.09 -2.16 0.21 0.00 0.00 175.17 172.68 1wfp s PRO 20 N -4.88 0.26 0.00 8.23 0.04 -1.26 -4.88 135.00 132.51 1wfp s PRO 20 Ca 0.62 0.47 0.01 0.00 0.04 0.00 0.00 61.00 62.14 1wfp s PRO 20 Cb -0.18 -1.72 0.07 0.00 0.04 0.00 0.00 34.50 32.71 1wfp s PRO 20 CO 0.56 -2.84 0.55 -0.35 0.04 0.00 0.00 177.00 174.97 1wfp n PRO 21 N -4.24 0.49 -0.82 0.56 -0.04 -1.26 -4.86 135.00 124.82 1wfp n PRO 21 Ca 0.05 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.17 1wfp n PRO 21 Cb 0.57 -1.04 0.11 0.00 -0.04 0.00 0.00 33.50 33.11 1wfp n PRO 21 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1wfp n LYS 22 N -0.54 -0.71 -0.58 0.54 3.00 -1.26 -4.51 118.16 114.10 1wfp n LYS 22 Ca 0.01 -0.19 -0.23 0.00 -0.00 0.00 0.00 58.31 57.89 1wfp n LYS 22 Cb 0.00 -1.47 -0.04 0.00 0.00 0.00 0.00 35.03 33.53 1wfp n LYS 22 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1wfp n SER 23 N 0.35 0.39 -3.53 3.14 3.41 -1.26 -4.66 113.62 111.45 1wfp n SER 23 Ca 0.01 0.38 -0.32 0.00 -0.26 0.00 0.00 58.87 58.67 1wfp n SER 23 Cb 0.63 -0.31 0.01 0.00 -0.26 0.00 0.00 64.21 64.27 1wfp n SER 23 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1wfp n THR 24 N 1.65 0.00 -3.77 6.66 -1.04 -1.26 -4.97 114.28 111.55 1wfp n THR 24 Ca 0.13 -0.42 0.01 0.00 -2.04 0.00 0.00 64.05 61.73 1wfp n THR 24 Cb -0.02 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.49 1wfp n THR 24 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1wfp s ALA 25 N -1.67 -2.18 -0.23 2.41 0.00 -1.26 -5.10 121.76 113.74 1wfp s ALA 25 Ca 0.47 0.33 -0.10 0.00 0.00 0.00 0.00 51.96 52.66 1wfp s ALA 25 Cb -0.40 0.59 0.09 0.00 0.00 0.00 0.00 23.12 23.39 1wfp s ALA 25 CO 0.56 -1.08 0.52 0.99 0.00 0.00 0.00 175.76 176.75 1wfp s THR 26 N -2.35 -0.43 0.21 0.00 2.01 -1.26 -5.04 115.64 108.78 1wfp s THR 26 Ca 0.19 0.08 -0.08 0.00 0.31 0.00 0.00 61.69 62.19 1wfp s THR 26 Cb 0.02 -0.79 -0.02 0.00 0.01 0.00 0.00 72.50 71.72 1wfp s THR 26 CO -0.01 0.03 0.32 -0.13 -0.69 0.00 0.00 174.62 174.14 1wfp s ARG 27 N 2.17 1.35 1.13 4.92 0.52 -1.26 -2.23 118.95 125.55 1wfp s ARG 27 Ca -0.06 -1.37 -0.15 0.00 -0.52 0.00 0.00 55.73 53.63 1wfp s ARG 27 Cb -0.10 0.38 0.18 0.00 0.52 0.00 0.00 34.95 35.94 1wfp s ARG 27 CO -0.16 -0.51 0.51 0.00 0.02 0.00 0.00 175.30 175.16 1wfp n LEU 29 N -3.18 0.52 -0.06 0.00 7.94 -0.71 -3.16 117.00 118.35 1wfp n LEU 29 Ca 0.02 -0.31 -0.11 0.00 -1.11 0.00 0.00 56.01 54.51 1wfp n LEU 29 Cb 0.58 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.48 1wfp n LEU 29 CO 0.54 0.13 -0.92 -1.20 -1.11 0.00 0.00 177.39 174.83 1wfp n SER 30 N -1.70 2.06 -0.40 1.96 7.64 -1.26 -4.68 113.62 117.25 1wfp n SER 30 Ca 0.01 0.04 0.09 0.00 1.01 0.00 0.00 58.87 60.02 1wfp n SER 30 Cb 0.36 -0.28 -0.01 0.00 -1.01 0.00 0.00 64.21 63.27 1wfp n SER 30 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wfp n ASN 32 N -0.17 -2.10 -4.88 0.00 5.15 -1.19 -4.86 115.26 107.21 1wfp n ASN 32 Ca 0.08 -1.00 -0.35 0.00 -0.60 0.00 0.00 54.58 52.70 1wfp n ASN 32 Cb 0.39 -2.91 -0.05 0.00 -0.53 0.00 0.00 39.78 36.67 1wfp n ASN 32 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 1wfp s LYS 33 N -6.78 3.57 -0.43 1.20 2.20 -1.26 -4.50 119.74 113.75 1wfp s LYS 33 Ca 0.42 -0.07 -0.31 0.00 -0.36 0.00 0.00 55.97 55.66 1wfp s LYS 33 Cb -0.23 -3.10 -0.10 0.00 -1.51 0.00 0.00 37.83 32.90 1wfp s LYS 33 CO 0.91 0.66 2.32 1.17 -0.36 0.00 0.00 175.35 180.05 1wfp n LYS 34 N 1.22 1.16 -0.01 4.03 3.00 -1.26 0.26 118.16 126.55 1wfp n LYS 34 Ca -0.12 0.23 0.04 0.00 -0.00 0.00 0.00 58.31 58.47 1wfp n LYS 34 Cb 0.53 -2.81 -0.08 0.00 0.00 0.00 0.00 35.03 32.67 1wfp n LYS 34 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 1wfp n VAL 35 N 7.59 0.06 0.00 3.15 0.24 -0.95 -4.91 118.33 123.50 1wfp n VAL 35 Ca 0.40 -0.26 0.00 0.00 -2.04 0.00 0.00 64.34 62.45 1wfp n VAL 35 Cb 0.35 0.17 0.00 0.00 -1.47 0.00 0.00 33.84 32.89 1wfp n VAL 35 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1wfp n GLY 36 N 1.94 1.97 0.12 7.63 0.00 -1.06 -0.31 105.19 115.48 1wfp n GLY 36 Ca -0.03 0.42 -0.21 0.00 0.00 0.00 0.00 46.02 46.20 1wfp n GLY 36 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1wfp h VAL 37 N 0.00 1.18 -0.93 1.61 3.04 -1.96 -3.32 116.25 115.87 1wfp h VAL 37 Ca 0.00 -2.40 0.27 0.00 -1.01 0.00 0.00 66.70 63.56 1wfp h VAL 37 Cb 0.00 2.81 -0.04 0.00 -2.01 0.00 0.00 31.29 32.06 1wfp h VAL 37 CO 0.00 0.66 0.76 0.71 -1.01 0.00 0.00 177.57 178.69 1wfp h THR 38 N -0.45 0.36 -1.91 3.17 1.35 -1.63 -3.43 112.91 110.38 1wfp h THR 38 Ca -0.25 0.00 -0.53 0.00 -0.55 0.00 0.00 66.41 65.08 1wfp h THR 38 Cb 1.62 0.44 0.23 0.00 -1.73 0.00 0.00 68.15 68.71 1wfp h THR 38 CO 0.04 0.00 -1.77 0.61 -0.25 0.00 0.00 175.52 174.15 1wfp n GLY 39 N -1.68 -4.43 3.16 5.82 0.00 0.58 -4.87 105.19 103.76 1wfp n GLY 39 Ca 0.20 -0.75 -0.34 0.00 0.00 0.00 0.00 46.02 45.13 1wfp n GLY 39 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1wfp s PHE 40 N -1.91 3.10 0.53 1.61 0.40 0.16 -4.91 117.98 116.96 1wfp s PHE 40 Ca 0.39 -1.78 -0.21 0.00 -0.60 0.00 0.00 56.93 54.72 1wfp s PHE 40 Cb -0.18 -2.02 -0.05 0.00 0.51 0.00 0.00 43.02 41.28 1wfp s PHE 40 CO 0.79 -0.78 1.24 0.21 0.70 0.00 0.00 175.22 177.38 1wfp s LYS 41 N 1.26 3.32 0.29 0.44 2.47 -1.26 -2.50 119.74 123.76 1wfp s LYS 41 Ca -0.02 1.94 0.09 0.00 -1.56 0.00 0.00 55.97 56.43 1wfp s LYS 41 Cb -0.17 -2.21 -0.06 0.00 -1.46 0.00 0.00 37.83 33.93 1wfp s LYS 41 CO -0.05 -0.96 -0.12 0.00 0.16 0.00 0.00 175.35 174.38 1wfp h ARG 43 N 2.23 0.00 0.00 0.00 3.08 -1.96 0.59 114.38 118.32 1wfp h ARG 43 Ca -0.40 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.64 1wfp h ARG 43 Cb 1.24 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.29 1wfp h ARG 43 CO 0.66 0.00 -0.01 0.00 -1.07 0.00 0.00 179.97 179.55 1wfp n GLY 45 N 0.61 2.60 3.58 0.00 0.00 0.21 -4.95 105.19 107.24 1wfp n GLY 45 Ca 0.02 -0.33 -0.30 0.00 0.00 0.00 0.00 46.02 45.41 1wfp n GLY 45 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wfp n SER 46 N 0.26 -0.60 -4.67 1.61 7.64 -1.26 -4.51 113.62 112.08 1wfp n SER 46 Ca 0.00 0.16 -0.32 0.00 1.01 0.00 0.00 58.87 59.72 1wfp n SER 46 Cb 0.00 -1.38 -0.09 0.00 -1.01 0.00 0.00 64.21 61.73 1wfp n SER 46 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1wfp s THR 47 N -2.53 4.05 0.33 0.44 2.01 -1.26 -2.51 115.64 116.16 1wfp s THR 47 Ca 0.68 -0.73 0.06 0.00 0.31 0.00 0.00 61.69 62.01 1wfp s THR 47 Cb -0.24 -2.83 -0.03 0.00 0.01 0.00 0.00 72.50 69.41 1wfp s THR 47 CO 0.61 0.31 0.24 -0.36 -0.69 0.00 0.00 174.62 174.73 1wfp s PHE 48 N -1.13 1.71 0.36 4.92 0.40 -1.04 -1.74 117.98 121.45 1wfp s PHE 48 Ca 0.21 -1.57 0.07 0.00 -0.60 0.00 0.00 56.93 55.04 1wfp s PHE 48 Cb -0.11 -0.78 -0.02 0.00 0.51 0.00 0.00 43.02 42.62 1wfp s PHE 48 CO 0.12 -0.75 0.39 0.00 0.70 0.00 0.00 175.22 175.69 1wfp h GLY 50 N 1.03 0.00 0.07 0.00 0.00 -1.96 1.24 103.07 103.46 1wfp h GLY 50 Ca -0.44 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.89 1wfp h GLY 50 CO 0.55 0.00 -0.01 -0.84 0.00 0.00 0.00 176.54 176.23 1wfp h THR 51 N 0.00 1.75 -0.78 4.70 2.02 -2.01 -3.34 112.91 115.24 1wfp h THR 51 Ca 0.41 -2.21 -0.45 0.00 0.77 0.00 0.00 66.41 64.93 1wfp h THR 51 Cb 2.07 3.25 -0.25 0.00 -1.74 0.00 0.00 68.15 71.48 1wfp h THR 51 CO -0.00 0.58 0.37 1.41 0.37 0.00 0.00 175.52 178.24 1wfp n HIS 52 N -4.63 2.48 0.04 3.16 -0.00 0.12 -4.55 115.22 111.84 1wfp n HIS 52 Ca -0.10 -2.04 -0.13 0.00 -0.00 0.00 0.00 57.72 55.45 1wfp n HIS 52 Cb 0.46 -0.87 -0.03 0.00 -0.00 0.00 0.00 29.99 29.55 1wfp n HIS 52 CO 0.00 0.00 0.00 0.07 -0.00 0.00 0.00 176.34 176.41 1wfp h ARG 53 N 1.28 0.50 -7.06 -0.41 0.11 0.13 -3.38 114.38 105.54 1wfp h ARG 53 Ca 0.49 -0.47 -0.48 0.00 0.10 0.00 0.00 59.98 59.62 1wfp h ARG 53 Cb 2.01 0.12 0.04 0.00 1.11 0.00 0.00 29.97 33.25 1wfp h ARG 53 CO 0.96 1.11 0.40 0.71 0.10 0.00 0.00 179.97 183.25 1wfp s TYR 54 N -3.47 2.95 0.23 4.08 1.51 -1.26 -4.85 117.35 116.53 1wfp s TYR 54 Ca -0.07 1.57 -0.01 0.00 -1.01 0.00 0.00 57.07 57.56 1wfp s TYR 54 Cb 0.09 -3.13 0.23 0.00 -0.11 0.00 0.00 41.96 39.04 1wfp s TYR 54 CO 0.87 -0.99 1.59 -1.00 -1.11 0.00 0.00 175.55 174.91 1wfp h PRO 55 N 1.58 0.52 -0.10 -1.71 0.13 -1.87 -2.64 132.00 127.91 1wfp h PRO 55 Ca -0.50 -0.27 -0.11 0.00 -0.87 0.00 0.00 66.00 64.25 1wfp h PRO 55 Cb 1.23 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 1wfp h PRO 55 CO 0.59 0.85 -0.44 1.05 -0.23 0.00 0.00 178.00 179.82 1wfp h GLU 56 N 0.42 0.22 -0.02 0.86 4.11 -1.97 -2.95 114.58 115.26 1wfp h GLU 56 Ca 0.03 -0.11 -0.17 0.00 0.07 0.00 0.00 59.36 59.18 1wfp h GLU 56 Cb 0.92 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.16 1wfp h GLU 56 CO 0.08 0.63 -0.76 1.03 0.07 0.00 0.00 179.01 180.05 1wfp h SER 57 N 0.18 0.19 -3.13 3.06 0.87 -1.90 -3.43 113.55 109.41 1wfp h SER 57 Ca 0.01 -0.14 -0.67 0.00 -1.23 0.00 0.00 61.79 59.76 1wfp h SER 57 Cb 0.86 -0.06 -0.34 0.00 -0.44 0.00 0.00 62.40 62.42 1wfp h SER 57 CO 0.07 0.88 -0.86 -1.38 -0.53 0.00 0.00 176.83 175.01 1wfp s HIS 58 N -3.39 2.74 -0.87 2.24 -3.43 -1.01 -4.98 115.29 106.59 1wfp s HIS 58 Ca -0.03 -1.51 -0.24 0.00 -0.80 0.00 0.00 55.06 52.49 1wfp s HIS 58 Cb 0.11 -1.88 -0.21 0.00 -1.43 0.00 0.00 32.58 29.17 1wfp s HIS 58 CO 0.81 -0.72 2.48 -0.85 -2.00 0.00 0.00 174.74 174.45 1wfp n GLU 59 N 4.39 0.28 -2.41 -0.38 0.28 -1.26 -4.63 120.64 116.91 1wfp n GLU 59 Ca -0.21 -0.10 -0.43 0.00 -0.16 0.00 0.00 57.16 56.27 1wfp n GLU 59 Cb 0.51 -2.03 -0.02 0.00 1.43 0.00 0.00 31.44 31.32 1wfp n GLU 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1wfp h GLN 61 N 9.27 0.81 -6.49 0.00 1.08 -1.96 -3.44 115.11 114.38 1wfp h GLN 61 Ca -0.26 -0.20 -0.61 0.00 -1.45 0.00 0.00 58.65 56.12 1wfp h GLN 61 Cb 1.10 -0.10 0.09 0.00 -0.05 0.00 0.00 27.48 28.52 1wfp h GLN 61 CO 1.03 0.79 0.35 0.34 -0.95 0.00 0.00 178.83 180.39 1wfp n PHE 62 N -4.44 1.64 -1.82 2.96 7.35 -1.26 -4.78 117.46 117.12 1wfp n PHE 62 Ca 0.01 0.60 -0.40 0.00 -0.76 0.00 0.00 57.45 56.90 1wfp n PHE 62 Cb 0.24 -2.34 0.01 0.00 0.35 0.00 0.00 39.48 37.74 1wfp n PHE 62 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1wfp s ASP 63 N -0.10 5.97 -0.08 -2.13 2.15 -1.26 -4.95 116.67 116.27 1wfp s ASP 63 Ca 0.66 2.92 -0.04 0.00 0.43 0.00 0.00 52.55 56.52 1wfp s ASP 63 Cb -0.72 -2.65 -0.03 0.00 -0.30 0.00 0.00 42.92 39.21 1wfp s ASP 63 CO 0.55 -1.11 -0.11 0.49 -0.17 0.00 0.00 175.17 174.82 1wfp n PHE 64 N -0.07 0.00 -3.64 -5.34 3.01 -1.26 -4.93 117.46 105.23 1wfp n PHE 64 Ca 0.04 0.00 -0.28 0.00 1.01 0.00 0.00 57.45 58.22 1wfp n PHE 64 Cb 0.42 -0.29 -0.12 0.00 -0.01 0.00 0.00 39.48 39.48 1wfp n PHE 64 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 1wfp s LYS 65 N -2.15 1.48 -1.64 -1.08 2.47 -1.26 -4.90 119.74 112.66 1wfp s LYS 65 Ca -0.11 -2.43 -0.15 0.00 -1.56 0.00 0.00 55.97 51.71 1wfp s LYS 65 Cb 0.04 -2.30 0.15 0.00 -1.46 0.00 0.00 37.83 34.27 1wfp s LYS 65 CO 0.14 -1.29 0.37 0.41 0.16 0.00 0.00 175.35 175.15 1wfp n GLY 66 N 2.82 -0.28 3.28 5.54 0.00 -1.26 -4.90 105.19 110.38 1wfp n GLY 66 Ca 0.20 0.10 -0.28 0.00 0.00 0.00 0.00 46.02 46.03 1wfp n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wfp s VAL 67 N -3.48 1.86 -0.31 1.61 0.11 -1.26 -5.11 120.40 113.82 1wfp s VAL 67 Ca 0.52 -1.12 0.00 0.00 -2.93 0.00 0.00 61.98 58.45 1wfp s VAL 67 Cb -0.30 -1.57 0.10 0.00 -1.53 0.00 0.00 36.38 33.08 1wfp s VAL 67 CO 0.94 0.41 0.08 0.00 -3.33 0.00 0.00 175.10 173.20 1wfp s ALA 68 N -0.66 1.87 -1.75 1.54 0.00 -1.26 -4.47 121.76 117.03 1wfp s ALA 68 Ca 0.09 -1.83 -0.17 0.00 0.00 0.00 0.00 51.96 50.05 1wfp s ALA 68 Cb -0.09 -1.68 0.16 0.00 0.00 0.00 0.00 23.12 21.51 1wfp s ALA 68 CO 0.00 -1.63 0.53 0.43 0.00 0.00 0.00 175.76 175.10 1wfp n SER 69 N 4.70 -1.64 -4.20 0.00 7.64 -1.26 -4.87 113.62 113.99 1wfp n SER 69 Ca -0.01 -1.18 -0.41 0.00 1.01 0.00 0.00 58.87 58.28 1wfp n SER 69 Cb 0.42 -1.99 -0.07 0.00 -1.01 0.00 0.00 64.21 61.56 1wfp n SER 69 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wfp s GLY 70 N -3.53 2.47 -0.01 0.23 0.00 -1.26 -5.06 107.32 100.16 1wfp s GLY 70 Ca 0.62 -3.14 -0.30 0.00 0.00 0.00 0.00 44.72 41.89 1wfp s GLY 70 CO 0.99 1.16 1.45 2.56 0.00 0.00 0.00 173.10 179.26 1wfp s PRO 71 N 0.29 4.26 -0.01 2.90 0.04 -1.26 -4.98 135.00 136.23 1wfp s PRO 71 Ca 0.15 2.02 -0.30 0.00 0.04 0.00 0.00 61.00 62.91 1wfp s PRO 71 Cb -0.18 -3.63 -0.03 0.00 0.04 0.00 0.00 34.50 30.70 1wfp s PRO 71 CO -0.05 -0.63 1.09 -1.12 0.04 0.00 0.00 177.00 176.33 1wfp s SER 72 N 2.11 7.20 -0.28 6.66 0.01 -1.26 -5.02 113.70 123.12 1wfp s SER 72 Ca 0.66 1.77 -0.01 0.00 1.31 0.00 0.00 55.95 59.67 1wfp s SER 72 Cb -0.32 -2.57 0.09 0.00 0.21 0.00 0.00 66.02 63.43 1wfp s SER 72 CO 0.27 -0.42 0.07 -0.55 0.41 0.00 0.00 173.24 173.02 1wfp s SER 73 N 1.14 3.81 0.00 2.44 0.15 -1.26 -5.34 113.70 114.64 1wfp s SER 73 Ca 0.54 -1.45 0.28 0.00 0.70 0.00 0.00 55.95 56.03 1wfp s SER 73 Cb -0.24 -0.86 1.06 0.00 -1.71 0.00 0.00 66.02 64.28 1wfp s SER 73 CO 0.25 -0.38 1.75 0.61 1.20 0.00 0.00 173.24 176.68