#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 -0.59 -0.10 1.61 0.01 -1.26 -5.17 113.70 108.19 1wfp s SER 2 Ca 0.00 1.05 -0.32 0.00 1.31 0.00 0.00 55.95 57.99 1wfp s SER 2 Cb 0.00 1.06 0.12 0.00 0.21 0.00 0.00 66.02 67.41 1wfp s SER 2 CO 0.00 -0.28 1.12 -0.55 0.41 0.00 0.00 173.24 173.94 1wfp s SER 3 N -0.01 -0.19 0.00 2.44 0.15 -1.26 -5.18 113.70 109.65 1wfp s SER 3 Ca -0.02 -0.04 0.00 0.00 0.70 0.00 0.00 55.95 56.59 1wfp s SER 3 Cb -0.04 0.23 0.00 0.00 -1.71 0.00 0.00 66.02 64.50 1wfp s SER 3 CO 0.02 -0.38 0.00 0.61 1.20 0.00 0.00 173.24 174.70 1wfp n GLY 4 N -0.20 4.28 3.36 9.45 0.00 -1.26 -5.19 105.19 115.62 1wfp n GLY 4 Ca -0.03 -0.38 -0.11 0.00 0.00 0.00 0.00 46.02 45.50 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 1.63 -0.37 0.12 1.61 0.15 -1.26 -5.18 113.70 110.40 1wfp s SER 5 Ca 0.00 -0.19 -0.11 0.00 0.70 0.00 0.00 55.95 56.35 1wfp s SER 5 Cb 0.00 0.52 0.01 0.00 -1.71 0.00 0.00 66.02 64.84 1wfp s SER 5 CO 0.00 -0.90 0.28 -0.44 1.20 0.00 0.00 173.24 173.38 1wfp s SER 6 N -2.78 0.00 0.00 5.45 0.01 -1.26 -5.16 113.70 109.96 1wfp s SER 6 Ca 0.02 -0.62 0.00 0.00 1.31 0.00 0.00 55.95 56.66 1wfp s SER 6 Cb 0.01 0.41 0.00 0.00 0.21 0.00 0.00 66.02 66.64 1wfp s SER 6 CO -0.12 -0.82 0.00 0.61 0.41 0.00 0.00 173.24 173.32 1wfp n GLY 7 N -0.15 2.14 2.79 3.44 0.00 -1.26 -5.15 105.19 107.00 1wfp n GLY 7 Ca -0.13 -0.14 -0.18 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.03 -0.27 -0.24 2.61 2.01 -1.26 -5.13 115.64 113.33 1wfp s THR 8 Ca 0.00 0.15 -0.04 0.00 0.31 0.00 0.00 61.69 62.11 1wfp s THR 8 Cb 0.00 -0.45 -0.00 0.00 0.01 0.00 0.00 72.50 72.06 1wfp s THR 8 CO 0.00 -0.01 -0.02 -0.60 -0.69 0.00 0.00 174.62 173.30 1wfp s ARG 9 N 2.29 3.25 0.00 4.92 3.00 -1.26 -5.04 118.95 126.11 1wfp s ARG 9 Ca 0.04 -0.71 0.00 0.00 -1.00 0.00 0.00 55.73 54.06 1wfp s ARG 9 Cb -0.14 -3.07 0.00 0.00 0.00 0.00 0.00 34.95 31.75 1wfp s ARG 9 CO -0.08 -0.27 0.00 0.41 0.00 0.00 0.00 175.30 175.36 1wfp n GLY 10 N 4.79 4.80 0.00 8.12 0.00 -1.26 -5.15 105.19 116.50 1wfp n GLY 10 Ca -0.17 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 0.00 1.20 3.98 -0.02 0.00 -1.26 -5.14 105.19 103.94 1wfp n GLY 11 Ca 0.00 -0.70 -0.20 0.00 0.00 0.00 0.00 46.02 45.13 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 6.05 -0.72 1.61 1.01 -1.26 -4.98 116.67 118.38 1wfp s ASP 12 Ca 0.00 -0.13 -0.26 0.00 0.71 0.00 0.00 52.55 52.88 1wfp s ASP 12 Cb 0.00 -1.40 -0.15 0.00 1.01 0.00 0.00 42.92 42.39 1wfp s ASP 12 CO 0.00 -0.33 2.46 -0.24 0.21 0.00 0.00 175.17 177.27 1wfp n SER 13 N -1.57 1.36 -4.60 0.27 2.88 -1.26 -4.85 113.62 105.85 1wfp n SER 13 Ca -0.03 -0.53 -0.43 0.00 -1.33 0.00 0.00 58.87 56.55 1wfp n SER 13 Cb 0.58 -1.34 -0.02 0.00 -0.75 0.00 0.00 64.21 62.68 1wfp n SER 13 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wfp s ALA 14 N 10.79 2.99 -0.41 -1.46 0.00 -1.26 -4.97 121.76 127.44 1wfp s ALA 14 Ca 1.10 0.11 -0.15 0.00 0.00 0.00 0.00 51.96 53.01 1wfp s ALA 14 Cb -0.50 -3.96 0.02 0.00 0.00 0.00 0.00 23.12 18.68 1wfp s ALA 14 CO 0.31 -2.45 0.32 0.00 0.00 0.00 0.00 175.76 173.94 1wfp s ALA 15 N 6.09 3.48 0.03 0.00 0.00 -1.26 -5.05 121.76 125.04 1wfp s ALA 15 Ca 0.71 -1.71 -0.09 0.00 0.00 0.00 0.00 51.96 50.86 1wfp s ALA 15 Cb -0.19 -2.91 0.00 0.00 0.00 0.00 0.00 23.12 20.02 1wfp s ALA 15 CO 0.33 -1.48 0.19 0.00 0.00 0.00 0.00 175.76 174.80 1wfp s ALA 16 N 1.72 -0.38 1.06 0.00 0.00 -1.26 -4.10 121.76 118.80 1wfp s ALA 16 Ca 0.06 -0.21 -0.14 0.00 0.00 0.00 0.00 51.96 51.67 1wfp s ALA 16 Cb -0.19 0.23 0.22 0.00 0.00 0.00 0.00 23.12 23.38 1wfp s ALA 16 CO 0.10 -0.32 1.10 -1.25 0.00 0.00 0.00 175.76 175.39 1wfp s PRO 17 N -2.21 -0.10 0.15 0.00 0.04 -1.26 -4.95 135.00 126.67 1wfp s PRO 17 Ca -0.08 0.34 -0.25 0.00 0.04 0.00 0.00 61.00 61.05 1wfp s PRO 17 Cb -0.03 -1.69 0.01 0.00 0.04 0.00 0.00 34.50 32.84 1wfp s PRO 17 CO -0.02 -3.05 1.59 -0.07 0.04 0.00 0.00 177.00 175.50 1wfp h LEU 18 N -2.11 -1.16-10.10 -3.56 3.38 -2.02 -3.41 115.31 96.33 1wfp h LEU 18 Ca -0.53 0.18 -0.47 0.00 0.09 0.00 0.00 57.88 57.16 1wfp h LEU 18 Cb 1.32 0.52 -0.01 0.00 0.09 0.00 0.00 40.66 42.58 1wfp h LEU 18 CO 0.52 -0.35 0.26 -1.81 0.09 0.00 0.00 178.44 177.14 1wfp s ASP 19 N -5.01 6.76 -0.21 -0.43 1.01 -1.26 -5.00 116.67 112.53 1wfp s ASP 19 Ca -0.15 1.48 -0.29 0.00 0.71 0.00 0.00 52.55 54.30 1wfp s ASP 19 Cb 0.12 -2.46 -0.03 0.00 1.01 0.00 0.00 42.92 41.56 1wfp s ASP 19 CO 0.66 -0.38 1.60 -2.16 0.21 0.00 0.00 175.17 175.10 1wfp s PRO 20 N -3.44 3.83 0.67 8.23 0.04 -1.26 -5.00 135.00 138.07 1wfp s PRO 20 Ca 0.58 1.69 -0.15 0.00 0.04 0.00 0.00 61.00 63.16 1wfp s PRO 20 Cb -0.10 -4.02 0.00 0.00 0.04 0.00 0.00 34.50 30.42 1wfp s PRO 20 CO 0.21 -1.25 1.11 -1.25 0.04 0.00 0.00 177.00 175.86 1wfp s PRO 21 N 4.59 2.77 0.58 0.56 0.04 -1.26 -4.89 135.00 137.39 1wfp s PRO 21 Ca 0.71 1.37 0.30 0.00 0.04 0.00 0.00 61.00 63.42 1wfp s PRO 21 Cb -0.25 -1.95 1.41 0.00 0.04 0.00 0.00 34.50 33.75 1wfp s PRO 21 CO 0.29 -1.27 1.79 1.57 0.04 0.00 0.00 177.00 179.41 1wfp h LYS 22 N -0.04 0.00 -1.95 4.56 -0.00 -2.05 -3.42 116.57 113.67 1wfp h LYS 22 Ca -0.47 0.00 0.05 0.00 -0.00 0.00 0.00 60.65 60.23 1wfp h LYS 22 Cb 1.25 0.00 -0.19 0.00 -0.00 0.00 0.00 32.23 33.28 1wfp h LYS 22 CO 0.54 0.00 0.43 -1.54 -0.00 0.00 0.00 179.45 178.88 1wfp s SER 23 N -4.96 -0.45 0.17 7.07 1.04 -1.26 -5.14 113.70 110.17 1wfp s SER 23 Ca -0.04 0.34 -0.33 0.00 0.48 0.00 0.00 55.95 56.40 1wfp s SER 23 Cb 0.17 0.40 -0.15 0.00 0.10 0.00 0.00 66.02 66.54 1wfp s SER 23 CO 0.60 -0.52 1.22 1.07 0.98 0.00 0.00 173.24 176.59 1wfp n THR 24 N 0.44 0.78 -3.85 2.02 5.66 -1.26 -4.94 114.28 113.13 1wfp n THR 24 Ca -0.12 -0.20 -0.01 0.00 -3.05 0.00 0.00 64.05 60.67 1wfp n THR 24 Cb 0.59 -0.92 0.02 0.00 -1.55 0.00 0.00 70.33 68.46 1wfp n THR 24 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1wfp n ALA 25 N 1.69 -2.38 -3.22 1.79 0.00 -1.26 -5.16 120.51 111.96 1wfp n ALA 25 Ca 0.15 -0.80 0.01 0.00 0.00 0.00 0.00 53.44 52.79 1wfp n ALA 25 Cb 0.25 0.39 -0.03 0.00 0.00 0.00 0.00 19.45 20.06 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 -2.13 -0.91 0.18 0.00 2.01 -1.26 -4.41 115.64 109.12 1wfp s THR 26 Ca 0.20 -0.01 -0.02 0.00 0.31 0.00 0.00 61.69 62.17 1wfp s THR 26 Cb -0.02 -0.95 -0.04 0.00 0.01 0.00 0.00 72.50 71.50 1wfp s THR 26 CO 0.03 -0.03 0.13 -0.13 -0.69 0.00 0.00 174.62 173.94 1wfp s ARG 27 N 2.79 1.12 1.11 4.92 0.52 -1.26 -1.73 118.95 126.42 1wfp s ARG 27 Ca 0.18 -1.52 -0.16 0.00 -0.52 0.00 0.00 55.73 53.70 1wfp s ARG 27 Cb -0.15 0.27 0.14 0.00 0.52 0.00 0.00 34.95 35.73 1wfp s ARG 27 CO -0.20 -0.36 0.29 0.00 0.02 0.00 0.00 175.30 175.06 1wfp n LEU 29 N -2.39 0.75 -0.04 0.00 7.94 -1.00 -3.06 117.00 119.21 1wfp n LEU 29 Ca 0.02 -0.47 -0.05 0.00 -1.11 0.00 0.00 56.01 54.40 1wfp n LEU 29 Cb 0.59 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.51 1wfp n LEU 29 CO 0.53 0.19 -0.74 -1.20 -1.11 0.00 0.00 177.39 175.06 1wfp n SER 30 N -1.45 3.44 -0.40 1.96 7.64 -1.26 -4.71 113.62 118.84 1wfp n SER 30 Ca 0.03 -0.04 0.05 0.00 1.01 0.00 0.00 58.87 59.92 1wfp n SER 30 Cb 0.28 -0.07 0.05 0.00 -1.01 0.00 0.00 64.21 63.46 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 0.50 -0.03 -4.81 0.00 4.13 -1.17 -4.82 115.26 109.05 1wfp n ASN 32 Ca 0.06 -1.25 -0.36 0.00 1.68 0.00 0.00 54.58 54.71 1wfp n ASN 32 Cb 0.26 -1.78 -0.07 0.00 -1.54 0.00 0.00 39.78 36.65 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 -7.29 3.39 -0.68 3.52 2.20 -1.26 -4.51 119.74 115.10 1wfp s LYS 33 Ca 0.08 -0.21 -0.30 0.00 -0.36 0.00 0.00 55.97 55.18 1wfp s LYS 33 Cb -0.04 -3.10 -0.14 0.00 -1.51 0.00 0.00 37.83 33.03 1wfp s LYS 33 CO 0.98 0.72 2.50 1.17 -0.36 0.00 0.00 175.35 180.36 1wfp n LYS 34 N 2.16 0.61 -0.01 4.03 3.00 -1.26 -0.27 118.16 126.42 1wfp n LYS 34 Ca -0.19 0.04 0.08 0.00 -0.00 0.00 0.00 58.31 58.23 1wfp n LYS 34 Cb 0.54 -2.49 -0.13 0.00 0.00 0.00 0.00 35.03 32.95 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 7.67 0.05 0.00 3.15 0.24 -0.70 -4.93 118.33 123.81 1wfp n VAL 35 Ca 0.50 -0.40 0.00 0.00 -2.04 0.00 0.00 64.34 62.40 1wfp n VAL 35 Cb 0.28 0.08 0.00 0.00 -1.47 0.00 0.00 33.84 32.73 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 1.56 2.28 0.09 7.63 0.00 -0.90 0.10 105.19 115.95 1wfp n GLY 36 Ca -0.04 0.23 -0.13 0.00 0.00 0.00 0.00 46.02 46.08 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 1.13 0.00 1.61 3.04 -1.96 -3.29 116.25 116.78 1wfp h VAL 37 Ca 0.00 -2.86 0.00 0.00 -1.01 0.00 0.00 66.70 62.83 1wfp h VAL 37 Cb 0.00 2.65 0.00 0.00 -2.01 0.00 0.00 31.29 31.93 1wfp h VAL 37 CO 0.00 0.75 0.00 0.71 -1.01 0.00 0.00 177.57 178.02 1wfp h THR 38 N 0.03 0.00 -2.19 3.17 1.35 -1.56 -3.44 112.91 110.27 1wfp h THR 38 Ca -0.22 -0.05 -0.50 0.00 -0.55 0.00 0.00 66.41 65.09 1wfp h THR 38 Cb 1.97 0.88 0.24 0.00 -1.73 0.00 0.00 68.15 69.50 1wfp h THR 38 CO 0.12 0.00 -1.50 0.61 -0.25 0.00 0.00 175.52 174.50 1wfp n GLY 39 N -1.02 -2.87 3.01 5.82 0.00 0.11 -4.88 105.19 105.36 1wfp n GLY 39 Ca -0.02 -0.62 -0.31 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.18 3.68 0.63 1.61 0.40 0.31 -4.94 117.98 117.49 1wfp s PHE 40 Ca 0.49 -2.96 -0.17 0.00 -0.60 0.00 0.00 56.93 53.68 1wfp s PHE 40 Cb -0.09 -2.88 -0.07 0.00 0.51 0.00 0.00 43.02 40.48 1wfp s PHE 40 CO 0.69 -0.94 0.48 1.17 0.70 0.00 0.00 175.22 177.32 1wfp n LYS 41 N 4.25 0.42 -4.39 0.44 3.00 -1.26 -2.97 118.16 117.65 1wfp n LYS 41 Ca 0.04 0.17 -0.19 0.00 -0.00 0.00 0.00 58.31 58.33 1wfp n LYS 41 Cb 0.42 -1.71 -0.10 0.00 0.00 0.00 0.00 35.03 33.63 1wfp n LYS 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1wfp h ARG 43 N 2.28 0.00 0.00 0.00 3.08 -1.95 0.44 114.38 118.23 1wfp h ARG 43 Ca -0.40 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.65 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 0.00 0.00 -1.07 0.00 0.00 179.97 179.56 1wfp n GLY 45 N 0.72 3.01 3.62 0.00 0.00 0.15 -4.90 105.19 107.79 1wfp n GLY 45 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.99 1.82 -0.12 1.61 0.01 -1.26 -4.62 113.70 110.14 1wfp s SER 46 Ca 0.00 1.07 0.02 0.00 1.31 0.00 0.00 55.95 58.35 1wfp s SER 46 Cb 0.00 -1.65 -0.00 0.00 0.21 0.00 0.00 66.02 64.58 1wfp s SER 46 CO 0.00 -3.62 -0.20 -0.89 0.41 0.00 0.00 173.24 168.94 1wfp s THR 47 N -2.89 2.38 0.46 1.44 2.01 -1.26 -1.98 115.64 115.80 1wfp s THR 47 Ca 0.67 -0.89 0.03 0.00 0.31 0.00 0.00 61.69 61.81 1wfp s THR 47 Cb -0.17 -1.95 -0.03 0.00 0.01 0.00 0.00 72.50 70.35 1wfp s THR 47 CO 0.58 0.54 0.02 -0.36 -0.69 0.00 0.00 174.62 174.72 1wfp s PHE 48 N 0.49 2.04 0.49 4.92 0.40 -1.16 -2.36 117.98 122.80 1wfp s PHE 48 Ca -0.13 -0.92 0.06 0.00 -0.60 0.00 0.00 56.93 55.35 1wfp s PHE 48 Cb -0.17 -1.59 0.03 0.00 0.51 0.00 0.00 43.02 41.81 1wfp s PHE 48 CO 0.05 0.22 0.67 0.00 0.70 0.00 0.00 175.22 176.86 1wfp n GLY 50 N -2.07 -0.66 0.11 0.00 0.00 -1.26 0.30 105.19 101.61 1wfp n GLY 50 Ca 0.10 0.13 -0.23 0.00 0.00 0.00 0.00 46.02 46.02 1wfp n GLY 50 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1wfp n THR 51 N -2.02 1.53 -1.27 2.61 -1.04 -1.26 -4.34 114.28 108.49 1wfp n THR 51 Ca -0.01 -0.07 -0.22 0.00 -2.04 0.00 0.00 64.05 61.72 1wfp n THR 51 Cb 0.20 -2.03 0.18 0.00 -1.82 0.00 0.00 70.33 66.86 1wfp n THR 51 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 1wfp n HIS 52 N -4.41 2.81 -0.06 -1.42 -0.00 -0.69 -4.51 115.22 106.94 1wfp n HIS 52 Ca -0.35 -1.86 -0.11 0.00 -0.00 0.00 0.00 57.72 55.40 1wfp n HIS 52 Cb 0.70 -0.90 0.02 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 1.04 0.76 -7.05 -0.41 0.11 -0.35 -3.40 114.38 105.09 1wfp h ARG 53 Ca 0.58 -0.43 -0.49 0.00 0.10 0.00 0.00 59.98 59.74 1wfp h ARG 53 Cb 2.63 0.03 0.05 0.00 1.11 0.00 0.00 29.97 33.79 1wfp h ARG 53 CO 1.03 1.06 0.43 0.71 0.10 0.00 0.00 179.97 183.30 1wfp s TYR 54 N -4.22 2.87 0.13 4.08 1.51 -1.26 -4.86 117.35 115.60 1wfp s TYR 54 Ca -0.09 1.56 -0.12 0.00 -1.01 0.00 0.00 57.07 57.41 1wfp s TYR 54 Cb 0.11 -3.24 -0.05 0.00 -0.11 0.00 0.00 41.96 38.67 1wfp s TYR 54 CO 0.86 -1.27 1.46 -1.00 -1.11 0.00 0.00 175.55 174.50 1wfp h PRO 55 N 1.66 0.89 0.00 -1.71 0.13 -1.87 -2.92 132.00 128.17 1wfp h PRO 55 Ca -0.50 -0.47 -0.01 0.00 -0.87 0.00 0.00 66.00 64.16 1wfp h PRO 55 Cb 1.24 0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.39 1wfp h PRO 55 CO 0.59 1.12 -0.05 1.05 -0.23 0.00 0.00 178.00 180.48 1wfp h GLU 56 N 0.70 0.00 0.05 0.86 4.11 -1.97 -2.60 114.58 115.72 1wfp h GLU 56 Ca 0.06 0.00 -0.23 0.00 0.07 0.00 0.00 59.36 59.26 1wfp h GLU 56 Cb 0.95 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 1wfp h GLU 56 CO 0.09 0.05 -1.04 0.77 0.07 0.00 0.00 179.01 178.95 1wfp h SER 57 N 0.00 0.25 -0.50 3.06 0.02 -1.88 -3.47 113.55 111.03 1wfp h SER 57 Ca -0.00 -0.24 -0.66 0.00 -0.84 0.00 0.00 61.79 60.05 1wfp h SER 57 Cb 0.44 -0.08 -0.12 0.00 0.14 0.00 0.00 62.40 62.78 1wfp h SER 57 CO 0.01 1.13 -0.49 -1.38 -1.14 0.00 0.00 176.83 174.96 1wfp s HIS 58 N -2.88 1.89 -1.03 3.45 -3.43 -0.98 -5.00 115.29 107.31 1wfp s HIS 58 Ca -0.02 -0.91 -0.18 0.00 -0.80 0.00 0.00 55.06 53.15 1wfp s HIS 58 Cb 0.09 -1.68 0.13 0.00 -1.43 0.00 0.00 32.58 29.69 1wfp s HIS 58 CO 0.85 0.14 1.28 -1.21 -2.00 0.00 0.00 174.74 173.79 1wfp s GLU 59 N -3.93 3.75 -0.87 -0.38 2.02 -1.26 -4.82 118.70 113.21 1wfp s GLU 59 Ca 0.12 -1.91 -0.25 0.00 0.02 0.00 0.00 54.97 52.95 1wfp s GLU 59 Cb 0.02 -5.04 -0.04 0.00 0.10 0.00 0.00 34.13 29.17 1wfp s GLU 59 CO 0.07 -1.85 1.90 0.00 0.02 0.00 0.00 175.26 175.40 1wfp h GLN 61 N 11.64 -0.12 -6.25 0.00 1.08 -1.96 -3.43 115.11 116.07 1wfp h GLN 61 Ca 0.06 0.01 -0.61 0.00 -1.45 0.00 0.00 58.65 56.66 1wfp h GLN 61 Cb 1.02 0.03 0.15 0.00 -0.05 0.00 0.00 27.48 28.63 1wfp h GLN 61 CO 1.22 -0.08 -0.55 0.34 -0.95 0.00 0.00 178.83 178.81 1wfp n PHE 62 N -5.33 -0.93 -3.04 2.96 7.35 -1.26 -4.89 117.46 112.33 1wfp n PHE 62 Ca -0.00 0.61 -0.41 0.00 -0.76 0.00 0.00 57.45 56.88 1wfp n PHE 62 Cb 0.24 -1.93 -0.06 0.00 0.35 0.00 0.00 39.48 38.08 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 -0.97 6.62 1.24 -2.13 2.15 -1.26 -4.95 116.67 117.36 1wfp s ASP 63 Ca 0.62 0.68 -0.12 0.00 0.43 0.00 0.00 52.55 54.16 1wfp s ASP 63 Cb -0.61 -2.37 0.19 0.00 -0.30 0.00 0.00 42.92 39.84 1wfp s ASP 63 CO 0.59 -0.48 0.44 0.49 -0.17 0.00 0.00 175.17 176.04 1wfp n PHE 64 N 5.91 -2.91 -0.81 -5.34 3.01 -1.26 -4.75 117.46 111.31 1wfp n PHE 64 Ca 0.01 -0.41 -0.09 0.00 1.01 0.00 0.00 57.45 57.97 1wfp n PHE 64 Cb 0.48 -0.64 -0.13 0.00 -0.01 0.00 0.00 39.48 39.19 1wfp n PHE 64 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 1wfp n LYS 65 N -3.92 1.62 -3.13 -1.08 4.81 -1.26 -4.58 118.16 110.61 1wfp n LYS 65 Ca 0.07 -0.76 -0.14 0.00 -0.87 0.00 0.00 58.31 56.61 1wfp n LYS 65 Cb 0.30 -1.83 0.07 0.00 0.02 0.00 0.00 35.03 33.59 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 2.46 -0.39 2.75 3.14 0.00 -1.26 -5.03 105.19 106.85 1wfp n GLY 66 Ca 0.33 0.13 -0.18 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 -3.31 0.02 -0.33 1.61 0.11 -1.26 -5.11 120.40 112.13 1wfp s VAL 67 Ca 0.10 0.24 -0.00 0.00 -2.93 0.00 0.00 61.98 59.40 1wfp s VAL 67 Cb -0.01 -0.18 0.11 0.00 -1.53 0.00 0.00 36.38 34.76 1wfp s VAL 67 CO 0.61 0.14 0.12 0.00 -3.33 0.00 0.00 175.10 172.64 1wfp s ALA 68 N 1.47 1.65 -0.24 1.54 0.00 -1.26 -4.84 121.76 120.07 1wfp s ALA 68 Ca -0.04 -1.83 -0.03 0.00 0.00 0.00 0.00 51.96 50.07 1wfp s ALA 68 Cb -0.13 -1.67 0.13 0.00 0.00 0.00 0.00 23.12 21.45 1wfp s ALA 68 CO -0.03 -1.73 0.37 -1.54 0.00 0.00 0.00 175.76 172.83 1wfp s SER 69 N 1.41 0.35 0.00 0.00 1.04 -1.26 -5.03 113.70 110.21 1wfp s SER 69 Ca 0.11 0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.69 1wfp s SER 69 Cb -0.18 1.05 0.00 0.00 0.10 0.00 0.00 66.02 66.99 1wfp s SER 69 CO -0.21 -0.31 0.00 0.61 0.98 0.00 0.00 173.24 174.32 1wfp n GLY 70 N 5.36 -1.79 0.20 7.32 0.00 -1.26 -5.06 105.19 109.96 1wfp n GLY 70 Ca -0.03 0.67 -0.13 0.00 0.00 0.00 0.00 46.02 46.52 1wfp n GLY 70 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wfp h PRO 71 N 0.00 0.65 -5.10 1.61 0.13 -2.03 -3.43 132.00 123.83 1wfp h PRO 71 Ca 0.00 -0.34 -0.64 0.00 -0.87 0.00 0.00 66.00 64.14 1wfp h PRO 71 Cb 0.00 0.01 -0.22 0.00 0.13 0.00 0.00 31.00 30.92 1wfp h PRO 71 CO 0.00 0.95 -0.65 0.45 -0.23 0.00 0.00 178.00 178.52 1wfp s SER 72 N -6.48 4.93 -1.02 1.44 0.15 -1.26 -5.02 113.70 106.45 1wfp s SER 72 Ca -0.13 -0.19 -0.25 0.00 0.70 0.00 0.00 55.95 56.08 1wfp s SER 72 Cb 0.08 -1.85 -0.15 0.00 -1.71 0.00 0.00 66.02 62.39 1wfp s SER 72 CO 0.82 0.05 2.12 -0.94 1.20 0.00 0.00 173.24 176.49 1wfp s SER 73 N 1.08 4.10 0.00 5.45 1.04 -1.26 -5.22 113.70 118.89 1wfp s SER 73 Ca 0.03 -0.86 0.00 0.00 0.48 0.00 0.00 55.95 55.60 1wfp s SER 73 Cb -0.14 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.40 1wfp s SER 73 CO 0.02 -3.94 0.17 0.61 0.98 0.00 0.00 173.24 171.08