#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 0.28 -0.07 1.61 0.15 -1.26 -5.17 113.70 109.25 1wfp s SER 2 Ca 0.00 -0.58 -0.20 0.00 0.70 0.00 0.00 55.95 55.87 1wfp s SER 2 Cb 0.00 0.12 0.04 0.00 -1.71 0.00 0.00 66.02 64.47 1wfp s SER 2 CO 0.00 -0.35 0.45 -0.55 1.20 0.00 0.00 173.24 173.99 1wfp s SER 3 N -1.71 -0.40 0.00 5.45 0.15 -1.26 -5.16 113.70 110.78 1wfp s SER 3 Ca -0.12 0.48 0.00 0.00 0.70 0.00 0.00 55.95 57.01 1wfp s SER 3 Cb -0.07 0.54 0.00 0.00 -1.71 0.00 0.00 66.02 64.79 1wfp s SER 3 CO -0.03 -0.42 0.00 0.61 1.20 0.00 0.00 173.24 174.61 1wfp n GLY 4 N 1.58 0.05 3.51 9.45 0.00 -1.26 -5.15 105.19 113.36 1wfp n GLY 4 Ca -0.19 -1.76 -0.16 0.00 0.00 0.00 0.00 46.02 43.90 1wfp n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wfp s SER 5 N -1.11 -0.62 -0.19 1.61 0.01 -1.26 -5.17 113.70 106.96 1wfp s SER 5 Ca 0.00 0.82 -0.20 0.00 1.31 0.00 0.00 55.95 57.88 1wfp s SER 5 Cb 0.00 0.74 0.05 0.00 0.21 0.00 0.00 66.02 67.02 1wfp s SER 5 CO 0.00 -0.49 0.56 -0.55 0.41 0.00 0.00 173.24 173.17 1wfp s SER 6 N -0.79 -0.57 0.00 2.44 0.15 -1.26 -5.13 113.70 108.54 1wfp s SER 6 Ca -0.08 1.07 0.00 0.00 0.70 0.00 0.00 55.95 57.63 1wfp s SER 6 Cb -0.02 1.08 0.00 0.00 -1.71 0.00 0.00 66.02 65.37 1wfp s SER 6 CO 0.07 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.89 1wfp n GLY 7 N 2.60 2.84 2.33 9.45 0.00 -1.26 -5.03 105.19 116.13 1wfp n GLY 7 Ca -0.14 -0.20 -0.34 0.00 0.00 0.00 0.00 46.02 45.34 1wfp n GLY 7 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1wfp n THR 8 N 0.00 3.45 -3.00 2.61 -2.24 -1.26 -4.99 114.28 108.85 1wfp n THR 8 Ca 0.00 -3.26 -0.40 0.00 -2.27 0.00 0.00 64.05 58.12 1wfp n THR 8 Cb 0.00 -1.16 -0.05 0.00 -2.10 0.00 0.00 70.33 67.01 1wfp n THR 8 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1wfp s ARG 9 N -3.81 4.49 0.00 -0.78 3.52 -1.26 -4.82 118.95 116.29 1wfp s ARG 9 Ca 0.62 1.06 0.00 0.00 -0.13 0.00 0.00 55.73 57.27 1wfp s ARG 9 Cb 0.49 -3.35 0.00 0.00 -1.56 0.00 0.00 34.95 30.53 1wfp s ARG 9 CO -0.04 0.33 0.00 0.41 -0.81 0.00 0.00 175.30 175.19 1wfp n GLY 10 N 2.28 -2.35 3.73 8.12 0.00 -1.26 -4.88 105.19 110.82 1wfp n GLY 10 Ca -0.03 -0.89 -0.64 0.00 0.00 0.00 0.00 46.02 44.46 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 0.78 0.39 0.15 -0.02 0.00 -1.26 -4.86 105.19 100.37 1wfp n GLY 11 Ca 0.00 0.97 -0.12 0.00 0.00 0.00 0.00 46.02 46.87 1wfp n GLY 11 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1wfp h ASP 12 N 5.61 -0.23 -3.69 1.61 5.19 -1.90 -3.38 116.42 119.64 1wfp h ASP 12 Ca -0.45 -0.29 -0.72 0.00 -0.62 0.00 0.00 57.03 54.96 1wfp h ASP 12 Cb 1.36 0.06 -0.34 0.00 0.18 0.00 0.00 39.33 40.59 1wfp h ASP 12 CO 0.96 0.22 -0.13 -0.55 -3.12 0.00 0.00 179.24 176.62 1wfp s SER 13 N -5.32 5.90 -0.11 6.45 0.15 -1.26 -5.01 113.70 114.50 1wfp s SER 13 Ca -0.14 -3.33 -0.33 0.00 0.70 0.00 0.00 55.95 52.85 1wfp s SER 13 Cb 0.02 -1.94 0.13 0.00 -1.71 0.00 0.00 66.02 62.51 1wfp s SER 13 CO 0.55 -0.29 1.21 0.00 1.20 0.00 0.00 173.24 175.90 1wfp s ALA 14 N -0.77 -2.10 -0.36 5.45 0.00 -1.26 -4.51 121.76 118.21 1wfp s ALA 14 Ca 0.23 1.23 0.07 0.00 0.00 0.00 0.00 51.96 53.50 1wfp s ALA 14 Cb -0.12 0.09 0.62 0.00 0.00 0.00 0.00 23.12 23.71 1wfp s ALA 14 CO -0.09 -0.76 1.72 0.00 0.00 0.00 0.00 175.76 176.63 1wfp n ALA 15 N -0.24 4.86 -3.18 0.00 0.00 -1.26 -4.86 120.51 115.83 1wfp n ALA 15 Ca -0.03 -2.86 0.05 0.00 0.00 0.00 0.00 53.44 50.59 1wfp n ALA 15 Cb 0.60 -1.13 -0.02 0.00 0.00 0.00 0.00 19.45 18.89 1wfp n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wfp s ALA 16 N -3.21 -3.48 -1.14 0.00 0.00 -1.26 -4.82 121.76 107.85 1wfp s ALA 16 Ca 0.52 1.50 -0.23 0.00 0.00 0.00 0.00 51.96 53.75 1wfp s ALA 16 Cb 0.44 -2.46 -0.10 0.00 0.00 0.00 0.00 23.12 21.00 1wfp s ALA 16 CO 0.07 -1.34 1.93 -0.35 0.00 0.00 0.00 175.76 176.07 1wfp n PRO 17 N 5.28 1.59 0.00 0.00 -0.04 -1.26 -4.27 135.00 136.30 1wfp n PRO 17 Ca -0.08 -2.40 0.00 0.00 -0.04 0.00 0.00 63.50 60.98 1wfp n PRO 17 Cb 0.54 -3.64 0.00 0.00 -0.04 0.00 0.00 33.50 30.36 1wfp n PRO 17 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 1wfp n LEU 18 N 13.65 0.34 -3.63 1.53 -0.00 -1.26 -4.86 117.00 122.77 1wfp n LEU 18 Ca 0.45 -0.34 -0.04 0.00 -0.00 0.00 0.00 56.01 56.08 1wfp n LEU 18 Cb 0.46 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.83 1wfp n LEU 18 CO 0.72 0.08 1.05 1.51 -0.00 0.00 0.00 177.39 180.75 1wfp s ASP 19 N -0.08 -0.13 0.74 1.45 -4.77 -1.26 -5.09 116.67 107.52 1wfp s ASP 19 Ca 0.00 0.16 -0.12 0.00 -3.30 0.00 0.00 52.55 49.29 1wfp s ASP 19 Cb 0.00 0.13 0.04 0.00 -1.09 0.00 0.00 42.92 42.00 1wfp s ASP 19 CO 0.00 -0.12 1.10 -2.16 0.70 0.00 0.00 175.17 174.69 1wfp s PRO 20 N -0.93 2.39 -1.15 2.11 0.04 -1.26 -4.00 135.00 132.19 1wfp s PRO 20 Ca 0.06 1.22 -0.23 0.00 0.04 0.00 0.00 61.00 62.10 1wfp s PRO 20 Cb -0.01 -1.91 -0.10 0.00 0.04 0.00 0.00 34.50 32.52 1wfp s PRO 20 CO -0.06 -1.55 1.93 -0.35 0.04 0.00 0.00 177.00 177.01 1wfp n PRO 21 N -3.25 1.59 -0.04 0.56 -0.04 -1.26 -4.44 135.00 128.12 1wfp n PRO 21 Ca 0.09 -2.42 -0.08 0.00 -0.04 0.00 0.00 63.50 61.05 1wfp n PRO 21 Cb 0.53 -3.67 -0.03 0.00 -0.04 0.00 0.00 33.50 30.29 1wfp n PRO 21 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1wfp n LYS 22 N 8.17 0.18 0.05 0.54 4.76 -1.26 -4.98 118.16 125.62 1wfp n LYS 22 Ca 0.45 0.07 0.00 0.00 -2.87 0.00 0.00 58.31 55.96 1wfp n LYS 22 Cb 0.46 -0.88 0.00 0.00 -1.84 0.00 0.00 35.03 32.77 1wfp n LYS 22 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1wfp n SER 23 N -3.22 0.44 -3.68 4.39 7.64 -1.26 -5.05 113.62 112.87 1wfp n SER 23 Ca -0.16 0.17 -0.52 0.00 1.01 0.00 0.00 58.87 59.36 1wfp n SER 23 Cb 0.62 -0.05 -0.08 0.00 -1.01 0.00 0.00 64.21 63.69 1wfp n SER 23 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1wfp n THR 24 N -3.26 0.00 -3.82 0.44 5.66 -1.26 -4.91 114.28 107.13 1wfp n THR 24 Ca 0.00 0.00 -0.22 0.00 -3.05 0.00 0.00 64.05 60.78 1wfp n THR 24 Cb 0.12 -0.37 -0.02 0.00 -1.55 0.00 0.00 70.33 68.51 1wfp n THR 24 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1wfp s ALA 25 N 2.21 3.88 -0.11 1.79 0.00 -1.26 -4.86 121.76 123.40 1wfp s ALA 25 Ca 0.81 -1.12 -0.24 0.00 0.00 0.00 0.00 51.96 51.40 1wfp s ALA 25 Cb -1.16 -1.83 -0.03 0.00 0.00 0.00 0.00 23.12 20.11 1wfp s ALA 25 CO 0.63 0.21 0.77 0.99 0.00 0.00 0.00 175.76 178.36 1wfp s THR 26 N -2.03 4.97 0.25 0.00 2.01 -1.26 -4.88 115.64 114.69 1wfp s THR 26 Ca 0.36 1.54 -0.17 0.00 0.31 0.00 0.00 61.69 63.73 1wfp s THR 26 Cb -0.09 -4.09 0.01 0.00 0.01 0.00 0.00 72.50 68.34 1wfp s THR 26 CO 0.31 0.14 0.59 -0.13 -0.69 0.00 0.00 174.62 174.83 1wfp s ARG 27 N 1.44 1.59 1.12 4.92 0.52 -1.26 -2.87 118.95 124.42 1wfp s ARG 27 Ca 0.38 -1.04 -0.14 0.00 -0.52 0.00 0.00 55.73 54.41 1wfp s ARG 27 Cb -0.17 0.54 0.21 0.00 0.52 0.00 0.00 34.95 36.05 1wfp s ARG 27 CO 0.16 -0.70 0.73 0.00 0.02 0.00 0.00 175.30 175.51 1wfp n LEU 29 N -3.81 0.81 -0.06 0.00 7.94 -1.05 -3.19 117.00 117.64 1wfp n LEU 29 Ca 0.03 -0.53 -0.11 0.00 -1.11 0.00 0.00 56.01 54.30 1wfp n LEU 29 Cb 0.56 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.46 1wfp n LEU 29 CO 0.55 0.19 -0.91 -1.20 -1.11 0.00 0.00 177.39 174.91 1wfp n SER 30 N -1.25 1.83 -0.13 1.96 7.64 -1.26 -4.72 113.62 117.69 1wfp n SER 30 Ca 0.03 0.06 0.06 0.00 1.01 0.00 0.00 58.87 60.04 1wfp n SER 30 Cb 0.25 -0.29 -0.04 0.00 -1.01 0.00 0.00 64.21 63.12 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 -0.81 -1.24 -4.80 0.00 5.15 -1.19 -4.88 115.26 107.48 1wfp n ASN 32 Ca 0.04 -0.84 -0.37 0.00 -0.60 0.00 0.00 54.58 52.81 1wfp n ASN 32 Cb 0.24 -3.93 -0.07 0.00 -0.53 0.00 0.00 39.78 35.49 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 -6.08 3.87 -0.77 1.20 2.20 -1.26 -4.50 119.74 114.41 1wfp s LYS 33 Ca 0.04 -0.02 -0.28 0.00 -0.36 0.00 0.00 55.97 55.35 1wfp s LYS 33 Cb -0.02 -3.30 -0.15 0.00 -1.51 0.00 0.00 37.83 32.85 1wfp s LYS 33 CO 0.82 0.53 2.56 1.17 -0.36 0.00 0.00 175.35 180.07 1wfp n LYS 34 N 2.68 0.48 -0.06 4.03 3.00 -1.26 -0.90 118.16 126.13 1wfp n LYS 34 Ca -0.16 -0.02 -0.00 0.00 -0.00 0.00 0.00 58.31 58.12 1wfp n LYS 34 Cb 0.53 -2.41 -0.16 0.00 0.00 0.00 0.00 35.03 33.00 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 7.71 0.73 0.00 3.15 0.24 -1.14 -4.94 118.33 124.08 1wfp n VAL 35 Ca 0.53 -0.67 0.00 0.00 -2.04 0.00 0.00 64.34 62.16 1wfp n VAL 35 Cb 0.27 -0.25 0.00 0.00 -1.47 0.00 0.00 33.84 32.39 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 1.58 2.02 0.08 7.63 0.00 -1.19 0.43 105.19 115.74 1wfp n GLY 36 Ca -0.19 0.46 0.09 0.00 0.00 0.00 0.00 46.02 46.39 1wfp n GLY 36 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1wfp n VAL 37 N 0.00 0.55 0.50 1.61 3.14 -1.26 -4.08 118.33 118.79 1wfp n VAL 37 Ca 0.00 -0.56 -0.04 0.00 -2.96 0.00 0.00 64.34 60.77 1wfp n VAL 37 Cb 0.00 -0.30 0.05 0.00 -1.06 0.00 0.00 33.84 32.53 1wfp n VAL 37 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 1wfp n THR 38 N -2.60 1.37 -2.37 1.55 -2.24 0.17 -4.87 114.28 105.30 1wfp n THR 38 Ca -0.03 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 1wfp n THR 38 Cb 0.61 -0.81 0.00 0.00 -2.10 0.00 0.00 70.33 68.03 1wfp n THR 38 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wfp n GLY 39 N 0.13 1.03 2.72 3.38 0.00 -0.91 -4.62 105.19 106.91 1wfp n GLY 39 Ca 0.13 -1.99 -0.20 0.00 0.00 0.00 0.00 46.02 43.96 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 0.45 -0.22 0.65 1.61 0.40 -0.38 -4.94 117.98 115.55 1wfp s PHE 40 Ca 0.00 0.02 -0.17 0.00 -0.60 0.00 0.00 56.93 56.17 1wfp s PHE 40 Cb 0.00 -0.45 -0.00 0.00 0.51 0.00 0.00 43.02 43.08 1wfp s PHE 40 CO 0.00 -0.67 1.25 0.21 0.70 0.00 0.00 175.22 176.71 1wfp s LYS 41 N 2.30 2.55 0.22 0.44 2.47 -1.26 -2.44 119.74 124.03 1wfp s LYS 41 Ca 0.07 1.93 0.04 0.00 -1.56 0.00 0.00 55.97 56.45 1wfp s LYS 41 Cb -0.15 -1.86 -0.05 0.00 -1.46 0.00 0.00 37.83 34.30 1wfp s LYS 41 CO -0.18 -1.56 -0.02 0.00 0.16 0.00 0.00 175.35 173.76 1wfp h ARG 43 N 2.49 0.00 -0.24 0.00 3.08 -1.95 0.65 114.38 118.41 1wfp h ARG 43 Ca -0.38 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.67 1wfp h ARG 43 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.27 1wfp h ARG 43 CO 0.64 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 179.54 1wfp n GLY 45 N 0.37 -0.31 3.64 0.00 0.00 0.23 -4.93 105.19 104.19 1wfp n GLY 45 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1wfp n GLY 45 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wfp s SER 46 N -2.08 4.16 -0.18 1.61 0.01 -1.24 -4.75 113.70 111.23 1wfp s SER 46 Ca 0.00 -1.04 -0.02 0.00 1.31 0.00 0.00 55.95 56.20 1wfp s SER 46 Cb 0.00 -0.51 -0.01 0.00 0.21 0.00 0.00 66.02 65.71 1wfp s SER 46 CO 0.00 -0.28 -0.08 -0.89 0.41 0.00 0.00 173.24 172.40 1wfp s THR 47 N -2.54 3.25 0.51 1.44 2.01 -1.26 -1.48 115.64 117.56 1wfp s THR 47 Ca 0.35 -0.56 0.01 0.00 0.31 0.00 0.00 61.69 61.80 1wfp s THR 47 Cb 0.01 -2.43 -0.01 0.00 0.01 0.00 0.00 72.50 70.09 1wfp s THR 47 CO 0.19 0.47 0.03 -0.36 -0.69 0.00 0.00 174.62 174.27 1wfp s PHE 48 N 0.93 1.77 0.27 4.92 0.40 -1.02 -2.54 117.98 122.71 1wfp s PHE 48 Ca -0.01 -1.07 0.05 0.00 -0.60 0.00 0.00 56.93 55.30 1wfp s PHE 48 Cb -0.15 -1.50 -0.03 0.00 0.51 0.00 0.00 43.02 41.86 1wfp s PHE 48 CO 0.00 0.09 0.40 0.00 0.70 0.00 0.00 175.22 176.40 1wfp h GLY 50 N 1.08 0.00 0.00 0.00 0.00 -1.92 0.64 103.07 102.87 1wfp h GLY 50 Ca -0.51 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 46.76 1wfp h GLY 50 CO 0.59 0.00 -0.38 -0.84 0.00 0.00 0.00 176.54 175.91 1wfp h THR 51 N 0.00 1.04 -0.97 4.70 2.02 -1.99 -3.36 112.91 114.34 1wfp h THR 51 Ca 0.11 -1.91 -0.54 0.00 0.77 0.00 0.00 66.41 64.84 1wfp h THR 51 Cb 1.78 2.10 -0.30 0.00 -1.74 0.00 0.00 68.15 69.98 1wfp h THR 51 CO -0.00 0.35 0.67 1.41 0.37 0.00 0.00 175.52 178.32 1wfp n HIS 52 N -4.60 3.04 0.03 3.16 -0.00 0.46 -4.48 115.22 112.83 1wfp n HIS 52 Ca -0.14 -2.10 -0.13 0.00 -0.00 0.00 0.00 57.72 55.36 1wfp n HIS 52 Cb 0.42 -1.04 -0.01 0.00 -0.00 0.00 0.00 29.99 29.36 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 1.22 0.52 -7.05 -0.41 0.11 -0.03 -3.39 114.38 105.35 1wfp h ARG 53 Ca 0.62 -0.45 -0.47 0.00 0.10 0.00 0.00 59.98 59.78 1wfp h ARG 53 Cb 2.39 0.10 0.02 0.00 1.11 0.00 0.00 29.97 33.58 1wfp h ARG 53 CO 1.18 1.08 0.38 0.71 0.10 0.00 0.00 179.97 183.42 1wfp s TYR 54 N -3.60 3.09 0.22 4.08 1.51 -1.26 -4.82 117.35 116.57 1wfp s TYR 54 Ca -0.07 1.59 -0.01 0.00 -1.01 0.00 0.00 57.07 57.58 1wfp s TYR 54 Cb 0.10 -3.03 0.22 0.00 -0.11 0.00 0.00 41.96 39.14 1wfp s TYR 54 CO 0.86 -0.66 1.59 -1.00 -1.11 0.00 0.00 175.55 175.23 1wfp h PRO 55 N 1.76 0.52 0.00 -1.71 0.13 -1.87 -2.60 132.00 128.23 1wfp h PRO 55 Ca -0.49 -0.28 -0.08 0.00 -0.87 0.00 0.00 66.00 64.28 1wfp h PRO 55 Cb 1.21 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 1wfp h PRO 55 CO 0.60 0.86 -0.37 1.05 -0.23 0.00 0.00 178.00 179.91 1wfp h GLU 56 N 0.43 0.00 0.05 0.86 9.09 -1.97 -3.04 114.58 120.00 1wfp h GLU 56 Ca 0.03 0.00 -0.23 0.00 0.05 0.00 0.00 59.36 59.21 1wfp h GLU 56 Cb 0.93 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.02 1wfp h GLU 56 CO 0.08 0.37 -1.07 0.77 0.05 0.00 0.00 179.01 179.21 1wfp h SER 57 N 0.00 0.24 -1.35 3.06 0.02 -1.88 -3.46 113.55 110.17 1wfp h SER 57 Ca -0.00 -0.24 -0.57 0.00 -0.84 0.00 0.00 61.79 60.13 1wfp h SER 57 Cb 0.89 -0.08 -0.08 0.00 0.14 0.00 0.00 62.40 63.27 1wfp h SER 57 CO 0.05 1.15 -0.47 -1.38 -1.14 0.00 0.00 176.83 175.04 1wfp s HIS 58 N -2.82 2.42 -1.00 3.45 -3.43 -1.00 -4.97 115.29 107.95 1wfp s HIS 58 Ca -0.02 -0.65 -0.20 0.00 -0.80 0.00 0.00 55.06 53.40 1wfp s HIS 58 Cb 0.09 -1.94 0.11 0.00 -1.43 0.00 0.00 32.58 29.41 1wfp s HIS 58 CO 0.85 0.09 1.28 -1.21 -2.00 0.00 0.00 174.74 173.75 1wfp s GLU 59 N -3.96 3.66 -0.73 -0.38 8.01 -1.26 -4.77 118.70 119.26 1wfp s GLU 59 Ca 0.38 -1.65 -0.26 0.00 0.01 0.00 0.00 54.97 53.45 1wfp s GLU 59 Cb 0.03 -5.09 -0.03 0.00 -4.31 0.00 0.00 34.13 24.73 1wfp s GLU 59 CO 0.21 -1.93 1.87 0.00 0.01 0.00 0.00 175.26 175.42 1wfp h GLN 61 N 13.42 0.34 -6.20 0.00 4.20 -1.97 -3.43 115.11 121.47 1wfp h GLN 61 Ca -0.12 -0.02 -0.66 0.00 0.06 0.00 0.00 58.65 57.91 1wfp h GLN 61 Cb 1.10 -0.08 0.10 0.00 0.30 0.00 0.00 27.48 28.90 1wfp h GLN 61 CO 1.22 0.22 -0.16 0.34 -0.67 0.00 0.00 178.83 179.78 1wfp n PHE 62 N -4.98 0.41 -2.12 2.96 7.35 -1.26 -4.82 117.46 115.00 1wfp n PHE 62 Ca 0.02 0.85 -0.42 0.00 -0.76 0.00 0.00 57.45 57.14 1wfp n PHE 62 Cb 0.13 -2.11 -0.03 0.00 0.35 0.00 0.00 39.48 37.83 1wfp n PHE 62 CO 0.00 0.00 0.00 0.16 -0.76 0.00 0.00 176.76 176.16 1wfp s ASP 63 N -0.64 6.73 -0.12 -2.13 -4.77 -1.26 -4.92 116.67 109.56 1wfp s ASP 63 Ca 0.66 2.06 -0.15 0.00 -3.30 0.00 0.00 52.55 51.82 1wfp s ASP 63 Cb -0.87 -2.53 -0.13 0.00 -1.09 0.00 0.00 42.92 38.29 1wfp s ASP 63 CO 0.57 -0.90 0.38 -0.26 0.70 0.00 0.00 175.17 175.65 1wfp h PHE 64 N 9.24 0.00 -2.74 2.11 0.04 -1.88 -3.43 116.94 120.29 1wfp h PHE 64 Ca -0.36 0.00 -0.61 0.00 2.80 0.00 0.00 57.97 59.81 1wfp h PHE 64 Cb 1.16 0.00 -0.40 0.00 2.20 0.00 0.00 35.95 38.91 1wfp h PHE 64 CO 0.87 0.54 -0.78 0.15 -0.60 0.00 0.00 178.31 178.49 1wfp s LYS 65 N -1.93 1.61 -0.83 1.51 -0.14 -1.26 -4.94 119.74 113.76 1wfp s LYS 65 Ca -0.11 -2.62 -0.22 0.00 -1.36 0.00 0.00 55.97 51.67 1wfp s LYS 65 Cb -0.01 -2.37 0.03 0.00 -1.68 0.00 0.00 37.83 33.80 1wfp s LYS 65 CO 0.36 -1.32 0.41 0.41 -0.76 0.00 0.00 175.35 174.45 1wfp n GLY 66 N 2.56 -0.51 3.36 -3.33 0.00 -1.26 -4.91 105.19 101.10 1wfp n GLY 66 Ca 0.23 0.21 -0.14 0.00 0.00 0.00 0.00 46.02 46.32 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 -4.01 0.01 -0.01 1.61 0.11 -1.26 -5.16 120.40 111.68 1wfp s VAL 67 Ca 0.30 -0.07 0.00 0.00 -2.93 0.00 0.00 61.98 59.28 1wfp s VAL 67 Cb -0.17 -0.67 0.02 0.00 -1.53 0.00 0.00 36.38 34.03 1wfp s VAL 67 CO 0.65 -0.04 0.01 0.00 -3.33 0.00 0.00 175.10 172.39 1wfp s ALA 68 N -0.08 0.11 -0.90 1.54 0.00 -1.26 -4.45 121.76 116.71 1wfp s ALA 68 Ca -0.03 0.14 -0.22 0.00 0.00 0.00 0.00 51.96 51.86 1wfp s ALA 68 Cb -0.03 -0.16 0.08 0.00 0.00 0.00 0.00 23.12 23.01 1wfp s ALA 68 CO 0.02 -0.05 1.23 -1.12 0.00 0.00 0.00 175.76 175.84 1wfp s SER 69 N 0.60 6.46 -0.61 0.00 0.01 -1.26 -4.57 113.70 114.32 1wfp s SER 69 Ca -0.05 -1.49 -0.03 0.00 1.31 0.00 0.00 55.95 55.69 1wfp s SER 69 Cb -0.08 -2.48 0.00 0.00 0.21 0.00 0.00 66.02 63.68 1wfp s SER 69 CO -0.02 -1.37 0.43 0.61 0.41 0.00 0.00 173.24 173.30 1wfp n GLY 70 N 5.95 -0.89 3.71 3.44 0.00 -1.26 -4.88 105.19 111.25 1wfp n GLY 70 Ca 0.20 0.41 -0.30 0.00 0.00 0.00 0.00 46.02 46.34 1wfp n GLY 70 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wfp s PRO 71 N -4.37 1.10 0.33 1.61 0.04 -1.26 -5.04 135.00 127.41 1wfp s PRO 71 Ca 0.04 0.76 -0.12 0.00 0.04 0.00 0.00 61.00 61.72 1wfp s PRO 71 Cb -0.02 -1.79 -0.08 0.00 0.04 0.00 0.00 34.50 32.65 1wfp s PRO 71 CO 0.64 -2.34 0.71 0.45 0.04 0.00 0.00 177.00 176.50 1wfp s SER 72 N -3.43 6.66 0.02 6.66 0.15 -1.26 -5.02 113.70 117.47 1wfp s SER 72 Ca 0.64 1.15 -0.23 0.00 0.70 0.00 0.00 55.95 58.22 1wfp s SER 72 Cb -0.18 -2.32 -0.13 0.00 -1.71 0.00 0.00 66.02 61.68 1wfp s SER 72 CO 0.57 -0.25 1.14 -1.28 1.20 0.00 0.00 173.24 174.62 1wfp h SER 73 N 1.96 -0.69 0.00 5.45 0.87 -2.05 -3.55 113.55 115.54 1wfp h SER 73 Ca -0.47 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.11 1wfp h SER 73 Cb 1.18 0.18 0.00 0.00 -0.44 0.00 0.00 62.40 63.32 1wfp h SER 73 CO 0.65 -0.42 0.00 0.61 -0.53 0.00 0.00 176.83 177.14