#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 -0.57 -0.08 1.61 0.15 -1.26 -5.18 113.70 108.37 1wfp s SER 2 Ca 0.00 0.87 -0.32 0.00 0.70 0.00 0.00 55.95 57.20 1wfp s SER 2 Cb 0.00 1.37 0.12 0.00 -1.71 0.00 0.00 66.02 65.81 1wfp s SER 2 CO 0.00 -0.13 1.22 -0.55 1.20 0.00 0.00 173.24 174.98 1wfp s SER 3 N 1.69 -0.11 0.08 5.45 0.15 -1.26 -5.19 113.70 114.51 1wfp s SER 3 Ca -0.07 -0.09 -0.01 0.00 0.70 0.00 0.00 55.95 56.47 1wfp s SER 3 Cb -0.05 0.18 0.01 0.00 -1.71 0.00 0.00 66.02 64.45 1wfp s SER 3 CO -0.16 -0.32 0.12 0.61 1.20 0.00 0.00 173.24 174.70 1wfp n GLY 4 N -0.32 2.53 2.96 9.45 0.00 -1.26 -5.16 105.19 113.39 1wfp n GLY 4 Ca -0.05 -1.30 -0.14 0.00 0.00 0.00 0.00 46.02 44.53 1wfp n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wfp s SER 5 N -1.45 0.52 -0.09 1.61 0.15 -1.26 -5.05 113.70 108.13 1wfp s SER 5 Ca 0.05 0.43 -0.20 0.00 0.70 0.00 0.00 55.95 56.93 1wfp s SER 5 Cb -0.00 0.68 -0.17 0.00 -1.71 0.00 0.00 66.02 64.82 1wfp s SER 5 CO 0.04 -0.26 0.68 -1.28 1.20 0.00 0.00 173.24 173.62 1wfp h SER 6 N 8.28 -0.07 0.00 5.45 0.87 -2.10 -3.50 113.55 122.48 1wfp h SER 6 Ca -0.15 -0.54 0.00 0.00 -1.23 0.00 0.00 61.79 59.87 1wfp h SER 6 Cb 1.12 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.10 1wfp h SER 6 CO 0.17 0.64 0.00 0.61 -0.53 0.00 0.00 176.83 177.72 1wfp n GLY 7 N 1.20 2.65 2.85 5.77 0.00 -1.26 -5.08 105.19 111.32 1wfp n GLY 7 Ca -0.07 -1.53 -0.27 0.00 0.00 0.00 0.00 46.02 44.15 1wfp n GLY 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1wfp s THR 8 N -0.87 0.89 0.42 2.61 -4.23 -1.26 -5.14 115.64 108.07 1wfp s THR 8 Ca 0.00 -0.42 -0.01 0.00 -1.18 0.00 0.00 61.69 60.08 1wfp s THR 8 Cb 0.00 -1.07 -0.02 0.00 1.34 0.00 0.00 72.50 72.75 1wfp s THR 8 CO 0.00 0.16 0.66 -0.13 -0.54 0.00 0.00 174.62 174.77 1wfp s ARG 9 N 1.74 3.30 -0.28 3.99 3.00 -1.26 -5.10 118.95 124.34 1wfp s ARG 9 Ca 0.02 -0.28 0.01 0.00 0.00 0.00 0.00 55.73 55.48 1wfp s ARG 9 Cb -0.14 -2.55 0.17 0.00 0.00 0.00 0.00 34.95 32.43 1wfp s ARG 9 CO -0.07 -0.12 0.51 0.20 0.00 0.00 0.00 175.30 175.82 1wfp s GLY 10 N -4.13 -0.85 -0.27 -3.53 0.00 -1.26 -5.13 107.32 92.15 1wfp s GLY 10 Ca 0.45 1.20 -0.29 0.00 0.00 0.00 0.00 44.72 46.09 1wfp s GLY 10 CO 0.39 3.22 1.06 -0.32 0.00 0.00 0.00 173.10 177.45 1wfp s GLY 11 N 2.73 1.63 -0.18 0.20 0.00 -1.26 -5.00 107.32 105.43 1wfp s GLY 11 Ca 0.15 0.07 -0.05 0.00 0.00 0.00 0.00 44.72 44.89 1wfp s GLY 11 CO -0.22 2.24 0.12 0.99 0.00 0.00 0.00 173.10 176.23 1wfp s ASP 12 N 1.44 2.15 0.68 1.64 1.01 -1.26 -5.14 116.67 117.19 1wfp s ASP 12 Ca 0.45 -0.54 -0.17 0.00 0.71 0.00 0.00 52.55 53.00 1wfp s ASP 12 Cb -0.14 -0.10 -0.03 0.00 1.01 0.00 0.00 42.92 43.66 1wfp s ASP 12 CO 0.11 -0.35 0.74 -1.20 0.21 0.00 0.00 175.17 174.68 1wfp n SER 13 N 5.29 -0.29 -4.08 0.27 7.64 -1.26 -5.00 113.62 116.18 1wfp n SER 13 Ca -0.07 0.68 -0.30 0.00 1.01 0.00 0.00 58.87 60.19 1wfp n SER 13 Cb 0.49 -1.30 -0.17 0.00 -1.01 0.00 0.00 64.21 62.22 1wfp n SER 13 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wfp s ALA 14 N -1.78 1.84 -0.54 -0.43 0.00 -1.26 -5.02 121.76 114.58 1wfp s ALA 14 Ca 0.71 -0.84 0.02 0.00 0.00 0.00 0.00 51.96 51.85 1wfp s ALA 14 Cb -0.37 -0.89 0.43 0.00 0.00 0.00 0.00 23.12 22.28 1wfp s ALA 14 CO 0.53 -0.10 1.58 0.00 0.00 0.00 0.00 175.76 177.77 1wfp n ALA 15 N 4.23 5.71 -3.37 0.00 0.00 -1.26 -4.98 120.51 120.83 1wfp n ALA 15 Ca -0.19 -3.88 -0.14 0.00 0.00 0.00 0.00 53.44 49.24 1wfp n ALA 15 Cb 0.51 -1.12 -0.04 0.00 0.00 0.00 0.00 19.45 18.80 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 -3.75 -1.49 1.07 0.00 0.00 -1.26 -4.62 121.76 111.71 1wfp s ALA 16 Ca 0.55 0.66 -0.06 0.00 0.00 0.00 0.00 51.96 53.10 1wfp s ALA 16 Cb 0.44 0.52 0.09 0.00 0.00 0.00 0.00 23.12 24.17 1wfp s ALA 16 CO -0.11 -0.59 0.31 -0.35 0.00 0.00 0.00 175.76 175.02 1wfp n PRO 17 N 0.17 -1.64 -1.39 0.00 -0.04 -1.26 -4.74 135.00 126.09 1wfp n PRO 17 Ca -0.18 -0.50 -0.46 0.00 -0.04 0.00 0.00 63.50 62.32 1wfp n PRO 17 Cb 0.62 -0.47 -0.14 0.00 -0.04 0.00 0.00 33.50 33.47 1wfp n PRO 17 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1wfp n LEU 18 N 0.00 0.42 -4.68 1.53 -0.00 -1.26 -4.89 117.00 108.13 1wfp n LEU 18 Ca 0.04 0.32 -0.28 0.00 -0.00 0.00 0.00 56.01 56.10 1wfp n LEU 18 Cb 0.17 -0.89 -0.08 0.00 -0.00 0.00 0.00 43.42 42.62 1wfp n LEU 18 CO 0.12 -0.72 -0.33 1.51 -0.00 0.00 0.00 177.39 177.97 1wfp s ASP 19 N 7.90 4.88 1.02 1.96 -4.77 -1.26 -5.13 116.67 121.26 1wfp s ASP 19 Ca 1.28 -0.32 -0.13 0.00 -3.30 0.00 0.00 52.55 50.08 1wfp s ASP 19 Cb -1.30 -1.09 0.20 0.00 -1.09 0.00 0.00 42.92 39.64 1wfp s ASP 19 CO 0.53 0.11 1.09 -2.16 0.70 0.00 0.00 175.17 175.44 1wfp s PRO 20 N -2.77 0.29 0.00 2.11 0.04 -1.26 -4.88 135.00 128.53 1wfp s PRO 20 Ca 0.27 0.47 0.00 0.00 0.04 0.00 0.00 61.00 61.78 1wfp s PRO 20 Cb -0.10 -1.72 0.00 0.00 0.04 0.00 0.00 34.50 32.72 1wfp s PRO 20 CO 0.19 -2.82 0.43 -0.35 0.04 0.00 0.00 177.00 174.49 1wfp n PRO 21 N -4.23 0.49 -2.47 0.56 -0.04 -1.26 -4.80 135.00 123.25 1wfp n PRO 21 Ca 0.05 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.17 1wfp n PRO 21 Cb 0.57 -1.06 -0.03 0.00 -0.04 0.00 0.00 33.50 32.94 1wfp n PRO 21 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1wfp s LYS 22 N -1.74 3.76 0.22 0.54 2.36 -1.26 -4.91 119.74 118.70 1wfp s LYS 22 Ca 0.00 1.30 -0.02 0.00 -2.55 0.00 0.00 55.97 54.70 1wfp s LYS 22 Cb 0.00 -2.09 0.45 0.00 -1.05 0.00 0.00 37.83 35.14 1wfp s LYS 22 CO 0.00 -0.46 1.17 0.45 1.55 0.00 0.00 175.35 178.06 1wfp n SER 23 N -1.15 -0.18 -4.33 1.43 2.88 -1.26 -4.73 113.62 106.28 1wfp n SER 23 Ca 0.09 1.28 -0.32 0.00 -1.33 0.00 0.00 58.87 58.59 1wfp n SER 23 Cb 0.53 -0.43 -0.10 0.00 -0.75 0.00 0.00 64.21 63.47 1wfp n SER 23 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1wfp n THR 24 N -5.13 -0.98 -0.48 2.46 -1.04 -1.26 -4.87 114.28 102.97 1wfp n THR 24 Ca 0.15 -0.46 -0.29 0.00 -2.04 0.00 0.00 64.05 61.41 1wfp n THR 24 Cb 0.47 -1.01 0.23 0.00 -1.82 0.00 0.00 70.33 68.20 1wfp n THR 24 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1wfp n ALA 25 N -4.54 -3.60 -2.66 2.41 0.00 -1.26 -4.90 120.51 105.96 1wfp n ALA 25 Ca -0.29 -1.38 -0.43 0.00 0.00 0.00 0.00 53.44 51.33 1wfp n ALA 25 Cb 0.68 -1.64 -0.02 0.00 0.00 0.00 0.00 19.45 18.46 1wfp n ALA 25 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1wfp s THR 26 N -2.25 4.68 0.18 0.00 2.01 -1.26 -5.01 115.64 113.98 1wfp s THR 26 Ca 0.61 1.97 -0.05 0.00 0.31 0.00 0.00 61.69 64.53 1wfp s THR 26 Cb -0.17 -4.30 -0.03 0.00 0.01 0.00 0.00 72.50 68.01 1wfp s THR 26 CO 0.61 -0.19 0.21 -0.13 -0.69 0.00 0.00 174.62 174.42 1wfp s ARG 27 N 3.21 1.18 1.14 4.92 0.52 -1.26 -2.19 118.95 126.46 1wfp s ARG 27 Ca 0.43 -1.40 -0.13 0.00 -0.52 0.00 0.00 55.73 54.11 1wfp s ARG 27 Cb -0.15 0.32 0.25 0.00 0.52 0.00 0.00 34.95 35.89 1wfp s ARG 27 CO 0.07 -0.41 0.88 0.00 0.02 0.00 0.00 175.30 175.86 1wfp n LEU 29 N -4.37 0.89 -0.03 0.00 7.94 -0.71 -3.11 117.00 117.61 1wfp n LEU 29 Ca 0.04 -0.48 -0.05 0.00 -1.11 0.00 0.00 56.01 54.40 1wfp n LEU 29 Cb 0.55 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.47 1wfp n LEU 29 CO 0.55 0.22 -0.69 -1.20 -1.11 0.00 0.00 177.39 175.16 1wfp n SER 30 N -1.48 2.19 -0.61 1.96 7.64 -1.26 -4.72 113.62 117.34 1wfp n SER 30 Ca 0.03 0.02 0.09 0.00 1.01 0.00 0.00 58.87 60.02 1wfp n SER 30 Cb 0.31 -0.13 0.04 0.00 -1.01 0.00 0.00 64.21 63.43 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 0.56 -3.02 -4.81 0.00 4.13 -1.18 -4.84 115.26 106.11 1wfp n ASN 32 Ca 0.10 -0.65 -0.38 0.00 1.68 0.00 0.00 54.58 55.32 1wfp n ASN 32 Cb 0.44 -2.52 -0.06 0.00 -1.54 0.00 0.00 39.78 36.10 1wfp n ASN 32 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 1wfp s LYS 33 N -6.43 4.26 -0.58 3.52 2.20 -1.26 -4.41 119.74 117.04 1wfp s LYS 33 Ca 0.55 0.81 -0.26 0.00 -0.36 0.00 0.00 55.97 56.71 1wfp s LYS 33 Cb -0.30 -3.19 -0.10 0.00 -1.51 0.00 0.00 37.83 32.73 1wfp s LYS 33 CO 0.68 0.60 2.45 1.17 -0.36 0.00 0.00 175.35 179.88 1wfp n LYS 34 N 1.56 0.87 -0.06 4.03 3.00 -1.26 0.10 118.16 126.40 1wfp n LYS 34 Ca -0.09 -0.09 -0.08 0.00 -0.00 0.00 0.00 58.31 58.06 1wfp n LYS 34 Cb 0.50 -3.25 -0.15 0.00 0.00 0.00 0.00 35.03 32.14 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 8.00 1.42 -0.09 3.15 0.24 -0.93 -4.95 118.33 125.17 1wfp n VAL 35 Ca 0.41 -0.81 0.00 0.00 -2.04 0.00 0.00 64.34 61.90 1wfp n VAL 35 Cb 0.48 -0.70 0.00 0.00 -1.47 0.00 0.00 33.84 32.15 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 1.63 2.55 0.17 7.63 0.00 -1.07 -0.47 105.19 115.62 1wfp n GLY 36 Ca -0.24 -0.04 0.03 0.00 0.00 0.00 0.00 46.02 45.78 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 1.01 -0.13 1.61 3.04 -1.95 -3.06 116.25 116.77 1wfp h VAL 37 Ca 0.00 -1.83 -0.05 0.00 -1.01 0.00 0.00 66.70 63.81 1wfp h VAL 37 Cb 0.00 2.09 -0.03 0.00 -2.01 0.00 0.00 31.29 31.34 1wfp h VAL 37 CO 0.00 0.46 0.07 0.35 -1.01 0.00 0.00 177.57 177.44 1wfp n THR 38 N -3.51 1.02 -2.44 3.17 -2.24 0.38 -4.86 114.28 105.80 1wfp n THR 38 Ca -0.00 -0.28 -0.10 0.00 -2.27 0.00 0.00 64.05 61.40 1wfp n THR 38 Cb 0.59 -0.75 0.05 0.00 -2.10 0.00 0.00 70.33 68.12 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 0.19 0.77 2.69 3.38 0.00 -0.67 -4.70 105.19 106.86 1wfp n GLY 39 Ca 0.08 -2.00 -0.21 0.00 0.00 0.00 0.00 46.02 43.89 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 -1.25 -0.10 0.97 1.61 0.40 0.11 -4.97 117.98 114.75 1wfp s PHE 40 Ca 0.30 -0.03 -0.11 0.00 -0.60 0.00 0.00 56.93 56.49 1wfp s PHE 40 Cb -0.02 -0.50 0.17 0.00 0.51 0.00 0.00 43.02 43.18 1wfp s PHE 40 CO 0.20 -0.60 1.09 0.21 0.70 0.00 0.00 175.22 176.82 1wfp s LYS 41 N 2.26 0.63 0.18 0.44 2.20 -1.26 -1.66 119.74 122.53 1wfp s LYS 41 Ca 0.06 1.09 0.02 0.00 -0.36 0.00 0.00 55.97 56.78 1wfp s LYS 41 Cb -0.16 -1.72 -0.05 0.00 -1.51 0.00 0.00 37.83 34.40 1wfp s LYS 41 CO -0.13 -2.75 0.00 0.00 -0.36 0.00 0.00 175.35 172.11 1wfp h ARG 43 N 2.66 0.24 0.00 0.00 3.08 -1.96 0.70 114.38 119.10 1wfp h ARG 43 Ca -0.37 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 59.64 1wfp h ARG 43 Cb 1.21 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 31.20 1wfp h ARG 43 CO 0.63 0.16 -0.12 0.00 -1.07 0.00 0.00 179.97 179.57 1wfp n GLY 45 N 0.11 2.03 3.60 0.00 0.00 0.25 -4.94 105.19 106.24 1wfp n GLY 45 Ca 0.00 -0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 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 0.23 2.20 -0.07 1.61 0.01 -1.26 -4.49 113.70 111.93 1wfp s SER 46 Ca 0.00 1.78 -0.00 0.00 1.31 0.00 0.00 55.95 59.04 1wfp s SER 46 Cb 0.00 -2.39 -0.03 0.00 0.21 0.00 0.00 66.02 63.81 1wfp s SER 46 CO 0.00 -3.48 -0.03 -0.89 0.41 0.00 0.00 173.24 169.25 1wfp s THR 47 N -2.62 4.03 0.32 1.44 2.01 -1.26 -1.97 115.64 117.59 1wfp s THR 47 Ca 0.67 -0.38 0.03 0.00 0.31 0.00 0.00 61.69 62.32 1wfp s THR 47 Cb -0.23 -2.68 -0.04 0.00 0.01 0.00 0.00 72.50 69.56 1wfp s THR 47 CO 0.61 0.58 0.13 -0.36 -0.69 0.00 0.00 174.62 174.88 1wfp s PHE 48 N -0.87 1.69 0.36 4.92 0.40 -0.66 -1.73 117.98 122.09 1wfp s PHE 48 Ca 0.13 -1.25 0.07 0.00 -0.60 0.00 0.00 56.93 55.28 1wfp s PHE 48 Cb -0.11 -1.00 -0.00 0.00 0.51 0.00 0.00 43.02 42.41 1wfp s PHE 48 CO 0.03 -0.35 0.51 0.00 0.70 0.00 0.00 175.22 176.10 1wfp h GLY 50 N 0.80 0.00 0.21 0.00 0.00 -1.94 1.10 103.07 103.25 1wfp h GLY 50 Ca -0.44 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 46.81 1wfp h GLY 50 CO 0.50 0.00 -0.36 -0.84 0.00 0.00 0.00 176.54 175.84 1wfp h THR 51 N 0.00 1.64 -0.72 4.70 2.02 -2.00 -3.35 112.91 115.19 1wfp h THR 51 Ca 0.22 -2.39 -0.40 0.00 0.77 0.00 0.00 66.41 64.61 1wfp h THR 51 Cb 1.54 3.25 -0.23 0.00 -1.74 0.00 0.00 68.15 70.97 1wfp h THR 51 CO -0.00 0.62 0.30 1.41 0.37 0.00 0.00 175.52 178.22 1wfp n HIS 52 N -4.44 2.27 0.08 3.16 -0.00 0.05 -4.55 115.22 111.80 1wfp n HIS 52 Ca -0.13 -1.92 -0.08 0.00 -0.00 0.00 0.00 57.72 55.59 1wfp n HIS 52 Cb 0.60 -0.79 0.01 0.00 -0.00 0.00 0.00 29.99 29.81 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 1.18 0.21 -7.09 -0.41 0.11 1.00 -3.39 114.38 106.00 1wfp h ARG 53 Ca 0.45 -0.22 -0.46 0.00 0.10 0.00 0.00 59.98 59.86 1wfp h ARG 53 Cb 2.07 0.06 0.00 0.00 1.11 0.00 0.00 29.97 33.21 1wfp h ARG 53 CO 0.86 0.93 0.36 0.71 0.10 0.00 0.00 179.97 182.93 1wfp s TYR 54 N -3.29 3.22 0.12 4.08 1.51 -1.26 -4.89 117.35 116.84 1wfp s TYR 54 Ca -0.03 1.58 -0.13 0.00 -1.01 0.00 0.00 57.07 57.47 1wfp s TYR 54 Cb 0.10 -2.91 -0.07 0.00 -0.11 0.00 0.00 41.96 38.98 1wfp s TYR 54 CO 0.83 -0.41 1.45 -1.00 -1.11 0.00 0.00 175.55 175.31 1wfp h PRO 55 N 1.59 0.81 -0.32 -1.71 0.13 -1.87 -2.90 132.00 127.73 1wfp h PRO 55 Ca -0.49 -0.43 0.03 0.00 -0.87 0.00 0.00 66.00 64.24 1wfp h PRO 55 Cb 1.19 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 1wfp h PRO 55 CO 0.60 1.06 0.21 1.05 -0.23 0.00 0.00 178.00 180.70 1wfp h GLU 56 N 0.59 0.31 -0.00 0.86 4.11 -1.98 -1.19 114.58 117.28 1wfp h GLU 56 Ca 0.05 -0.02 -0.18 0.00 0.07 0.00 0.00 59.36 59.29 1wfp h GLU 56 Cb 0.91 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.07 1wfp h GLU 56 CO 0.08 0.20 -0.81 0.77 0.07 0.00 0.00 179.01 179.32 1wfp h SER 57 N 0.32 0.12 -3.41 3.06 0.02 -1.90 -3.42 113.55 108.34 1wfp h SER 57 Ca 0.13 -0.10 -0.61 0.00 -0.84 0.00 0.00 61.79 60.37 1wfp h SER 57 Cb 0.13 -0.04 -0.37 0.00 0.14 0.00 0.00 62.40 62.26 1wfp h SER 57 CO -0.03 0.88 -0.81 -1.38 -1.14 0.00 0.00 176.83 174.35 1wfp s HIS 58 N -3.25 2.36 -0.90 3.45 -3.43 -0.45 -5.02 115.29 108.06 1wfp s HIS 58 Ca -0.02 -1.55 -0.23 0.00 -0.80 0.00 0.00 55.06 52.46 1wfp s HIS 58 Cb 0.11 -1.62 -0.22 0.00 -1.43 0.00 0.00 32.58 29.42 1wfp s HIS 58 CO 0.80 -0.73 2.47 0.39 -2.00 0.00 0.00 174.74 175.67 1wfp n GLU 59 N 4.70 0.22 -1.93 -0.38 4.71 -1.25 -4.62 120.64 122.10 1wfp n GLU 59 Ca -0.15 -0.09 -0.42 0.00 -0.01 0.00 0.00 57.16 56.49 1wfp n GLU 59 Cb 0.47 -1.89 -0.03 0.00 -1.01 0.00 0.00 31.44 28.98 1wfp n GLU 59 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1wfp h GLN 61 N 9.54 0.34 -6.62 0.00 1.08 -1.98 -3.45 115.11 114.02 1wfp h GLN 61 Ca -0.42 -0.27 -0.56 0.00 -1.45 0.00 0.00 58.65 55.95 1wfp h GLN 61 Cb 1.19 0.06 0.07 0.00 -0.05 0.00 0.00 27.48 28.75 1wfp h GLN 61 CO 0.95 0.91 0.82 0.34 -0.95 0.00 0.00 178.83 180.90 1wfp n PHE 62 N -4.42 2.48 -1.76 2.96 7.35 -1.26 -4.90 117.46 117.90 1wfp n PHE 62 Ca -0.08 0.25 -0.41 0.00 -0.76 0.00 0.00 57.45 56.45 1wfp n PHE 62 Cb 0.50 -2.56 -0.00 0.00 0.35 0.00 0.00 39.48 37.76 1wfp n PHE 62 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1wfp n ASP 63 N 2.98 3.75 -1.68 -2.13 -0.08 -1.26 -4.88 116.55 113.25 1wfp n ASP 63 Ca 0.14 1.21 -0.13 0.00 -1.51 0.00 0.00 54.79 54.49 1wfp n ASP 63 Cb 0.32 -1.61 0.09 0.00 2.34 0.00 0.00 41.12 42.27 1wfp n ASP 63 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 1wfp n PHE 64 N 0.84 1.65 -3.08 -0.67 3.72 -1.26 -4.83 117.46 113.82 1wfp n PHE 64 Ca 0.03 -1.28 -0.13 0.00 -0.05 0.00 0.00 57.45 56.02 1wfp n PHE 64 Cb 0.38 -0.65 0.07 0.00 -0.94 0.00 0.00 39.48 38.34 1wfp n PHE 64 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1wfp n LYS 65 N -0.33 -4.50 -3.77 -1.08 4.81 -1.26 -3.76 118.16 108.26 1wfp n LYS 65 Ca 0.32 0.68 -0.24 0.00 -0.87 0.00 0.00 58.31 58.20 1wfp n LYS 65 Cb 1.09 -5.13 0.00 0.00 0.02 0.00 0.00 35.03 31.00 1wfp n LYS 65 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1wfp n GLY 66 N -1.14 -1.31 2.98 3.14 0.00 -1.26 -4.98 105.19 102.62 1wfp n GLY 66 Ca -0.19 0.60 -0.13 0.00 0.00 0.00 0.00 46.02 46.30 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 -3.00 0.31 1.18 1.61 0.11 -1.25 -5.16 120.40 114.21 1wfp s VAL 67 Ca 0.01 -0.60 -0.17 0.00 -2.93 0.00 0.00 61.98 58.29 1wfp s VAL 67 Cb -0.00 -0.35 0.28 0.00 -1.53 0.00 0.00 36.38 34.77 1wfp s VAL 67 CO 0.89 -0.20 1.06 0.00 -3.33 0.00 0.00 175.10 173.53 1wfp s ALA 68 N -0.78 0.27 0.04 1.54 0.00 -1.26 -4.92 121.76 116.65 1wfp s ALA 68 Ca -0.06 -0.65 0.01 0.00 0.00 0.00 0.00 51.96 51.26 1wfp s ALA 68 Cb -0.06 -3.01 -0.04 0.00 0.00 0.00 0.00 23.12 20.01 1wfp s ALA 68 CO -0.00 -3.61 0.13 -1.54 0.00 0.00 0.00 175.76 170.74 1wfp s SER 69 N -3.43 5.91 -0.79 0.00 1.04 -1.26 -5.07 113.70 110.11 1wfp s SER 69 Ca 0.69 0.15 -0.03 0.00 0.48 0.00 0.00 55.95 57.24 1wfp s SER 69 Cb -0.15 -1.72 0.20 0.00 0.10 0.00 0.00 66.02 64.44 1wfp s SER 69 CO 0.58 0.20 0.65 -0.83 0.98 0.00 0.00 173.24 174.83 1wfp s GLY 70 N -2.23 2.83 -0.87 7.32 0.00 -1.26 -5.02 107.32 108.09 1wfp s GLY 70 Ca 0.29 -3.59 -0.25 0.00 0.00 0.00 0.00 44.72 41.18 1wfp s GLY 70 CO 0.22 1.16 1.94 2.56 0.00 0.00 0.00 173.10 178.98 1wfp s PRO 71 N -0.76 2.56 -0.43 2.90 0.04 -1.26 -4.93 135.00 133.12 1wfp s PRO 71 Ca 0.23 -0.19 -0.28 0.00 0.04 0.00 0.00 61.00 60.80 1wfp s PRO 71 Cb -0.12 -4.99 -0.00 0.00 0.04 0.00 0.00 34.50 29.43 1wfp s PRO 71 CO -0.09 -3.31 1.58 -1.54 0.04 0.00 0.00 177.00 173.69 1wfp s SER 72 N 8.05 6.05 -0.33 6.66 1.04 -1.26 -4.86 113.70 129.05 1wfp s SER 72 Ca 0.70 0.83 0.09 0.00 0.48 0.00 0.00 55.95 58.06 1wfp s SER 72 Cb -0.07 -2.54 0.46 0.00 0.10 0.00 0.00 66.02 63.97 1wfp s SER 72 CO 0.02 -1.66 1.14 -1.20 0.98 0.00 0.00 173.24 172.51 1wfp n SER 73 N 9.81 4.17 0.00 7.02 7.64 -1.26 -5.30 113.62 135.70 1wfp n SER 73 Ca 0.18 -3.44 0.00 0.00 1.01 0.00 0.00 58.87 56.63 1wfp n SER 73 Cb 0.48 -0.40 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 1wfp n SER 73 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64