#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfz s SER 2 N 0.00 -0.61 -0.43 1.61 0.15 -1.26 -5.13 113.70 108.03 1wfz s SER 2 Ca 0.00 1.06 -0.11 0.00 0.70 0.00 0.00 55.95 57.60 1wfz s SER 2 Cb 0.00 1.17 0.07 0.00 -1.71 0.00 0.00 66.02 65.55 1wfz s SER 2 CO 0.00 -0.17 0.29 -0.55 1.20 0.00 0.00 173.24 174.01 1wfz s SER 3 N 0.93 5.81 -0.15 5.45 0.15 -1.26 -4.89 113.70 119.73 1wfz s SER 3 Ca -0.04 -1.37 0.04 0.00 0.70 0.00 0.00 55.95 55.28 1wfz s SER 3 Cb -0.05 -2.05 -0.12 0.00 -1.71 0.00 0.00 66.02 62.09 1wfz s SER 3 CO -0.11 -0.55 -0.08 0.61 1.20 0.00 0.00 173.24 174.31 1wfz n GLY 4 N 5.02 -0.35 1.88 9.45 0.00 -1.26 -4.58 105.19 115.34 1wfz n GLY 4 Ca -0.11 -0.14 -0.11 0.00 0.00 0.00 0.00 46.02 45.66 1wfz n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wfz n SER 5 N -2.81 5.69 -3.60 1.61 3.41 -1.26 -4.60 113.62 112.06 1wfz n SER 5 Ca -0.26 -2.67 -0.28 0.00 -0.26 0.00 0.00 58.87 55.39 1wfz n SER 5 Cb 0.84 -1.22 -0.12 0.00 -0.26 0.00 0.00 64.21 63.45 1wfz n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1wfz s SER 6 N 1.41 3.00 0.00 4.04 0.15 -1.26 -5.02 113.70 116.03 1wfz s SER 6 Ca 0.36 -2.95 0.00 0.00 0.70 0.00 0.00 55.95 54.06 1wfz s SER 6 Cb 0.20 -0.85 0.00 0.00 -1.71 0.00 0.00 66.02 63.66 1wfz s SER 6 CO -0.03 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.81 1wfz n GLY 7 N 3.08 1.24 3.46 9.45 0.00 -1.26 -5.08 105.19 116.07 1wfz n GLY 7 Ca 0.19 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1wfz n GLY 7 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wfz n GLU 8 N 0.00 0.59 -3.46 1.61 -0.58 -1.26 -4.96 120.64 112.58 1wfz n GLU 8 Ca 0.00 0.22 -0.29 0.00 -0.42 0.00 0.00 57.16 56.66 1wfz n GLU 8 Cb 0.00 -1.52 -0.04 0.00 -0.57 0.00 0.00 31.44 29.31 1wfz n GLU 8 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 1wfz s ASN 9 N -0.95 6.46 0.99 1.62 0.01 -1.26 -5.09 114.94 116.73 1wfz s ASN 9 Ca 0.63 0.66 -0.12 0.00 -0.71 0.00 0.00 52.86 53.32 1wfz s ASN 9 Cb -0.60 -2.12 0.18 0.00 0.41 0.00 0.00 41.25 39.13 1wfz s ASN 9 CO 0.58 -0.12 1.09 -2.16 -1.51 0.00 0.00 177.10 174.99 1wfz s PRO 10 N -3.29 0.48 -0.19 -0.60 0.04 -1.26 -5.03 135.00 125.15 1wfz s PRO 10 Ca 0.43 0.54 -0.08 0.00 0.04 0.00 0.00 61.00 61.93 1wfz s PRO 10 Cb -0.11 -1.74 -0.08 0.00 0.04 0.00 0.00 34.50 32.60 1wfz s PRO 10 CO 0.28 -2.71 -0.23 -2.13 0.04 0.00 0.00 177.00 172.25 1wfz n ARG 11 N -4.16 0.40 -0.27 4.56 0.00 -1.26 -4.62 116.66 111.32 1wfz n ARG 11 Ca 0.05 0.17 0.05 0.00 -0.00 0.00 0.00 57.85 58.12 1wfz n ARG 11 Cb 0.57 -1.19 0.11 0.00 0.00 0.00 0.00 32.46 31.95 1wfz n ARG 11 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1wfz n ASN 12 N -3.76 -0.26 -4.63 6.15 5.15 -1.26 -4.10 115.26 112.56 1wfz n ASN 12 Ca -0.37 1.28 -0.43 0.00 -0.60 0.00 0.00 54.58 54.47 1wfz n ASN 12 Cb 0.77 -0.39 -0.03 0.00 -0.53 0.00 0.00 39.78 39.60 1wfz n ASN 12 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1wfz s VAL 13 N -5.92 3.04 0.00 3.44 -7.23 -1.26 -4.90 120.40 107.57 1wfz s VAL 13 Ca -0.11 0.05 0.00 0.00 -1.81 0.00 0.00 61.98 60.11 1wfz s VAL 13 Cb 0.20 -3.05 0.00 0.00 0.56 0.00 0.00 36.38 34.10 1wfz s VAL 13 CO 0.58 -0.02 0.00 0.61 -0.31 0.00 0.00 175.10 175.96 1wfz n GLY 14 N 5.24 0.69 3.20 2.32 0.00 -1.26 -5.03 105.19 110.36 1wfz n GLY 14 Ca 0.25 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.32 1wfz n GLY 14 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wfz s SER 15 N -0.13 -0.28 0.37 1.61 0.01 -1.26 -5.10 113.70 108.92 1wfz s SER 15 Ca 0.00 0.27 0.08 0.00 1.31 0.00 0.00 55.95 57.60 1wfz s SER 15 Cb 0.00 1.27 -0.02 0.00 0.21 0.00 0.00 66.02 67.48 1wfz s SER 15 CO 0.00 -0.05 0.35 -0.76 0.41 0.00 0.00 173.24 173.19 1wfz s LEU 16 N 2.61 3.54 -0.69 2.44 1.43 -1.26 -5.06 118.68 121.70 1wfz s LEU 16 Ca -0.03 -0.57 -0.26 0.00 -1.03 0.00 0.00 54.13 52.24 1wfz s LEU 16 Cb -0.06 -2.21 0.04 0.00 0.03 0.00 0.00 46.19 43.99 1wfz s LEU 16 CO -0.13 -0.50 1.17 -0.62 0.23 0.00 0.00 176.35 176.51 1wfz s ASP 17 N -4.08 6.21 0.30 2.29 2.15 -1.26 -4.88 116.67 117.41 1wfz s ASP 17 Ca 0.45 -0.50 -0.02 0.00 0.43 0.00 0.00 52.55 52.91 1wfz s ASP 17 Cb -0.05 -2.52 0.46 0.00 -0.30 0.00 0.00 42.92 40.51 1wfz s ASP 17 CO 0.28 -1.66 1.96 0.07 -0.17 0.00 0.00 175.17 175.64 1wfz h LYS 18 N 9.81 1.04 -0.79 4.34 2.10 -1.97 -2.17 116.57 128.94 1wfz h LYS 18 Ca -0.28 -0.08 -0.01 0.00 -2.00 0.00 0.00 60.65 58.29 1wfz h LYS 18 Cb 1.06 -0.23 -0.04 0.00 -0.90 0.00 0.00 32.23 32.12 1wfz h LYS 18 CO 1.23 0.71 0.47 1.79 -2.00 0.00 0.00 179.45 181.65 1wfz h THR 19 N 1.07 1.22 -3.65 0.07 1.35 -1.94 -3.43 112.91 107.60 1wfz h THR 19 Ca 0.28 -0.50 -0.55 0.00 -0.55 0.00 0.00 66.41 65.09 1wfz h THR 19 Cb -0.09 0.12 0.11 0.00 -1.73 0.00 0.00 68.15 66.56 1wfz h THR 19 CO -0.06 0.24 0.65 -1.20 -0.25 0.00 0.00 175.52 174.90 1wfz n SER 20 N -4.37 3.33 -0.01 5.36 7.64 -0.82 -4.94 113.62 119.80 1wfz n SER 20 Ca 0.08 1.22 -0.19 0.00 1.01 0.00 0.00 58.87 60.99 1wfz n SER 20 Cb 0.07 -1.56 -0.14 0.00 -1.01 0.00 0.00 64.21 61.58 1wfz n SER 20 CO 0.00 0.00 0.00 0.07 -3.01 0.00 0.00 175.04 172.10 1wfz h LYS 21 N 2.75 0.17 -1.54 1.43 2.10 -1.85 -3.33 116.57 116.30 1wfz h LYS 21 Ca -0.49 -0.29 0.49 0.00 -2.00 0.00 0.00 60.65 58.37 1wfz h LYS 21 Cb 1.26 0.11 -0.12 0.00 -0.90 0.00 0.00 32.23 32.58 1wfz h LYS 21 CO 0.63 1.14 1.03 -2.95 -2.00 0.00 0.00 179.45 177.30 1wfz h ASN 22 N -0.58 0.15 -3.64 7.07 7.08 -1.92 -3.34 115.58 120.40 1wfz h ASN 22 Ca -0.19 0.10 -0.62 0.00 -3.08 0.00 0.00 56.30 52.51 1wfz h ASN 22 Cb 1.49 0.10 -0.14 0.00 -2.08 0.00 0.00 38.32 37.69 1wfz h ASN 22 CO 0.03 -0.16 -0.40 0.54 -2.08 0.00 0.00 177.43 175.36 1wfz s VAL 23 N -5.15 5.29 0.56 6.14 0.11 -1.25 -1.68 120.40 124.42 1wfz s VAL 23 Ca -0.07 0.35 -0.04 0.00 -2.93 0.00 0.00 61.98 59.29 1wfz s VAL 23 Cb 0.29 -3.58 0.01 0.00 -1.53 0.00 0.00 36.38 31.57 1wfz s VAL 23 CO 0.85 0.28 0.85 -0.83 -3.33 0.00 0.00 175.10 172.92 1wfz s GLY 24 N 1.26 1.61 -0.28 6.54 0.00 -0.47 -4.85 107.32 111.12 1wfz s GLY 24 Ca 0.11 -0.79 -0.01 0.00 0.00 0.00 0.00 44.72 44.03 1wfz s GLY 24 CO 0.07 -0.53 0.08 -1.59 0.00 0.00 0.00 173.10 171.13 1wfz s THR 25 N -2.90 0.81 -0.34 0.90 2.01 -1.26 -2.97 115.64 111.88 1wfz s THR 25 Ca 0.53 -1.19 -0.06 0.00 0.31 0.00 0.00 61.69 61.28 1wfz s THR 25 Cb -0.10 -1.52 0.05 0.00 0.01 0.00 0.00 72.50 70.94 1wfz s THR 25 CO 0.43 -0.54 0.11 -0.83 -0.69 0.00 0.00 174.62 173.10 1wfz s GLY 26 N 1.67 1.85 -0.21 4.40 0.00 0.37 -4.70 107.32 110.70 1wfz s GLY 26 Ca 0.06 -1.81 -0.05 0.00 0.00 0.00 0.00 44.72 42.93 1wfz s GLY 26 CO -0.21 0.79 -0.01 -2.27 0.00 0.00 0.00 173.10 171.41 1wfz s LEU 27 N 1.38 3.17 -0.08 0.66 2.96 -1.26 0.12 118.68 125.64 1wfz s LEU 27 Ca -0.01 -0.25 -0.02 0.00 -0.22 0.00 0.00 54.13 53.62 1wfz s LEU 27 Cb -0.20 -1.81 0.04 0.00 0.50 0.00 0.00 46.19 44.72 1wfz s LEU 27 CO 0.02 0.03 0.05 0.68 -1.32 0.00 0.00 176.35 175.82 1wfz s VAL 28 N 1.17 0.04 0.38 1.68 -7.23 -0.26 -4.99 120.40 111.20 1wfz s VAL 28 Ca 0.03 0.20 0.08 0.00 -1.81 0.00 0.00 61.98 60.48 1wfz s VAL 28 Cb -0.14 -0.36 -0.06 0.00 0.56 0.00 0.00 36.38 36.38 1wfz s VAL 28 CO 0.01 0.10 0.08 -0.83 -0.31 0.00 0.00 175.10 174.14 1wfz s GLY 29 N 2.10 2.27 -0.15 2.32 0.00 -1.26 -2.45 107.32 110.16 1wfz s GLY 29 Ca 0.04 -2.10 -0.14 0.00 0.00 0.00 0.00 44.72 42.53 1wfz s GLY 29 CO -0.05 -1.95 0.29 0.00 0.00 0.00 0.00 173.10 171.40 1wfz s ALA 30 N -2.59 3.61 -0.02 3.20 0.00 -0.51 -4.86 121.76 120.59 1wfz s ALA 30 Ca 0.37 -0.44 -0.25 0.00 0.00 0.00 0.00 51.96 51.64 1wfz s ALA 30 Cb 0.04 -2.37 -0.19 0.00 0.00 0.00 0.00 23.12 20.59 1wfz s ALA 30 CO 0.20 0.14 1.20 -1.00 0.00 0.00 0.00 175.76 176.31 1wfz h PRO 31 N 6.45 -0.10 0.12 0.00 0.13 -1.96 0.37 132.00 137.02 1wfz h PRO 31 Ca -0.43 0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.70 1wfz h PRO 31 Cb 1.17 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1wfz h PRO 31 CO 0.74 0.35 -0.06 0.00 -0.23 0.00 0.00 178.00 178.80 1wfz h ALA 32 N 0.27 -0.58 -0.82 -0.56 0.00 -2.00 -3.30 119.26 112.27 1wfz h ALA 32 Ca -0.01 -0.04 0.10 0.00 0.00 0.00 0.00 54.91 54.96 1wfz h ALA 32 Cb 0.49 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.29 1wfz h ALA 32 CO 0.02 -0.57 0.54 0.00 0.00 0.00 0.00 179.25 179.23 1wfz n GLY 34 N -1.43 0.76 3.59 0.00 0.00 0.08 -4.91 105.19 103.27 1wfz n GLY 34 Ca 0.14 -0.25 -0.24 0.00 0.00 0.00 0.00 46.02 45.67 1wfz n GLY 34 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wfz s ASP 35 N -2.92 4.15 -0.33 1.61 1.01 -0.96 -4.74 116.67 114.49 1wfz s ASP 35 Ca 0.01 -0.86 -0.01 0.00 0.71 0.00 0.00 52.55 52.40 1wfz s ASP 35 Cb -0.00 -0.59 0.11 0.00 1.01 0.00 0.00 42.92 43.45 1wfz s ASP 35 CO 0.02 -0.05 0.15 -0.69 0.21 0.00 0.00 175.17 174.80 1wfz s VAL 36 N -2.43 0.59 -0.46 -1.27 1.01 -0.81 -1.43 120.40 115.60 1wfz s VAL 36 Ca 0.32 -1.46 -0.13 0.00 0.00 0.00 0.00 61.98 60.72 1wfz s VAL 36 Cb -0.04 -1.45 0.09 0.00 0.00 0.00 0.00 36.38 34.98 1wfz s VAL 36 CO 0.18 -0.77 0.36 -0.32 0.00 0.00 0.00 175.10 174.54 1wfz s MET 37 N 1.46 2.78 -0.45 2.72 1.75 -1.03 -1.96 119.30 124.58 1wfz s MET 37 Ca 0.12 -1.50 -0.16 0.00 -1.25 0.00 0.00 55.69 52.90 1wfz s MET 37 Cb -0.19 -4.01 0.04 0.00 2.84 0.00 0.00 34.83 33.52 1wfz s MET 37 CO -0.20 -1.07 0.41 0.21 -0.65 0.00 0.00 175.02 173.72 1wfz s LYS 38 N 1.52 3.03 0.04 4.11 2.20 0.90 -1.10 119.74 130.44 1wfz s LYS 38 Ca 0.04 -1.05 -0.03 0.00 -0.36 0.00 0.00 55.97 54.57 1wfz s LYS 38 Cb -0.25 -4.04 -0.05 0.00 -1.51 0.00 0.00 37.83 31.98 1wfz s LYS 38 CO 0.03 -0.93 0.25 -1.17 -0.36 0.00 0.00 175.35 173.17 1wfz s LEU 39 N 1.92 4.35 -0.18 5.43 2.96 0.12 -1.45 118.68 131.82 1wfz s LEU 39 Ca 0.08 0.43 -0.07 0.00 -0.22 0.00 0.00 54.13 54.35 1wfz s LEU 39 Cb -0.20 -2.86 0.08 0.00 0.50 0.00 0.00 46.19 43.71 1wfz s LEU 39 CO 0.10 0.20 0.39 -1.10 -1.32 0.00 0.00 176.35 174.62 1wfz s GLN 40 N -2.17 0.30 -0.04 1.98 -0.21 -1.06 -0.48 119.66 117.98 1wfz s GLN 40 Ca 0.32 0.96 0.06 0.00 0.02 0.00 0.00 55.36 56.72 1wfz s GLN 40 Cb -0.13 0.23 -0.01 0.00 1.00 0.00 0.00 33.01 34.10 1wfz s GLN 40 CO 0.22 -0.24 -0.23 0.96 -2.12 0.00 0.00 175.29 173.87 1wfz s ILE 41 N 2.43 1.84 -0.39 1.08 -5.25 -1.16 0.19 121.20 119.95 1wfz s ILE 41 Ca -0.02 -0.97 -0.17 0.00 -0.99 0.00 0.00 60.65 58.50 1wfz s ILE 41 Cb -0.12 -1.55 0.01 0.00 2.95 0.00 0.00 42.46 43.75 1wfz s ILE 41 CO -0.12 0.52 0.43 -1.58 -1.79 0.00 0.00 174.94 172.40 1wfz s GLN 42 N -0.27 3.33 -0.07 0.37 0.74 0.77 -1.37 119.66 123.15 1wfz s GLN 42 Ca 0.01 -0.55 -0.17 0.00 0.05 0.00 0.00 55.36 54.70 1wfz s GLN 42 Cb -0.11 -3.89 -0.05 0.00 1.10 0.00 0.00 33.01 30.06 1wfz s GLN 42 CO 0.02 -0.72 0.46 0.08 -0.55 0.00 0.00 175.29 174.57 1wfz s VAL 43 N 2.16 5.11 0.82 1.34 1.01 -0.67 -1.71 120.40 128.46 1wfz s VAL 43 Ca 0.13 0.93 -0.07 0.00 0.00 0.00 0.00 61.98 62.97 1wfz s VAL 43 Cb -0.17 -3.79 0.16 0.00 0.00 0.00 0.00 36.38 32.58 1wfz s VAL 43 CO 0.13 0.41 1.14 -0.62 0.00 0.00 0.00 175.10 176.16 1wfz s ASP 44 N 0.05 3.83 0.41 3.32 2.15 -0.89 -4.57 116.67 120.96 1wfz s ASP 44 Ca 0.25 -0.08 0.10 0.00 0.43 0.00 0.00 52.55 53.26 1wfz s ASP 44 Cb -0.16 -0.16 0.93 0.00 -0.30 0.00 0.00 42.92 43.23 1wfz s ASP 44 CO 0.12 -2.23 1.99 1.05 -0.17 0.00 0.00 175.17 175.93 1wfz h GLU 45 N -1.01 0.50 0.00 4.34 4.11 -1.98 0.56 114.58 121.11 1wfz h GLU 45 Ca -0.40 -0.03 -0.05 0.00 0.07 0.00 0.00 59.36 58.95 1wfz h GLU 45 Cb 1.25 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 1wfz h GLU 45 CO 0.40 0.33 -0.25 0.87 0.07 0.00 0.00 179.01 180.43 1wfz h LYS 46 N 0.52 0.00 0.00 1.06 1.57 -2.03 -3.46 116.57 114.22 1wfz h LYS 46 Ca 0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 1wfz h LYS 46 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1wfz h LYS 46 CO -0.07 0.25 0.00 0.41 -0.57 0.00 0.00 179.45 179.47 1wfz n GLY 47 N 0.40 0.99 3.72 3.86 0.00 0.19 -5.09 105.19 109.25 1wfz n GLY 47 Ca 0.01 -0.02 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 1wfz n GLY 47 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wfz s LYS 48 N -0.11 3.34 -0.46 1.61 2.36 -1.26 -3.27 119.74 121.95 1wfz s LYS 48 Ca 0.00 -0.32 -0.28 0.00 -2.55 0.00 0.00 55.97 52.82 1wfz s LYS 48 Cb 0.00 -2.99 -0.01 0.00 -1.05 0.00 0.00 37.83 33.78 1wfz s LYS 48 CO 0.00 0.62 1.64 0.42 1.55 0.00 0.00 175.35 179.58 1wfz s ILE 49 N -0.62 3.61 -0.05 5.43 1.01 0.37 -2.10 121.20 128.86 1wfz s ILE 49 Ca 0.11 0.56 0.12 0.00 0.00 0.00 0.00 60.65 61.44 1wfz s ILE 49 Cb -0.12 -4.00 -0.23 0.00 0.01 0.00 0.00 42.46 38.12 1wfz s ILE 49 CO 0.02 -0.76 0.65 1.33 0.00 0.00 0.00 174.94 176.19 1wfz n VAL 50 N 7.18 1.61 -4.23 2.92 0.24 -0.69 -1.00 118.33 124.37 1wfz n VAL 50 Ca 0.19 -0.79 -0.17 0.00 -2.04 0.00 0.00 64.34 61.53 1wfz n VAL 50 Cb 0.49 -1.05 -0.14 0.00 -1.47 0.00 0.00 33.84 31.67 1wfz n VAL 50 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1wfz s ASP 51 N -6.11 0.91 0.01 -1.34 1.01 -1.23 -4.72 116.67 105.20 1wfz s ASP 51 Ca -0.05 -0.24 0.03 0.00 0.71 0.00 0.00 52.55 53.00 1wfz s ASP 51 Cb 0.08 -0.07 -0.01 0.00 1.01 0.00 0.00 42.92 43.93 1wfz s ASP 51 CO 0.82 0.02 -0.11 0.00 0.21 0.00 0.00 175.17 176.12 1wfz s ALA 52 N -0.46 0.87 0.17 5.23 0.00 -1.26 -0.16 121.76 126.14 1wfz s ALA 52 Ca 0.00 -0.55 0.08 0.00 0.00 0.00 0.00 51.96 51.49 1wfz s ALA 52 Cb -0.05 -0.17 -0.04 0.00 0.00 0.00 0.00 23.12 22.86 1wfz s ALA 52 CO 0.00 0.18 -0.18 1.03 0.00 0.00 0.00 175.76 176.79 1wfz s ARG 53 N -0.59 1.28 -0.25 0.00 1.81 0.51 -4.82 118.95 116.88 1wfz s ARG 53 Ca 0.02 -1.42 -0.07 0.00 -1.72 0.00 0.00 55.73 52.54 1wfz s ARG 53 Cb -0.05 -1.32 0.12 0.00 -0.45 0.00 0.00 34.95 33.25 1wfz s ARG 53 CO 0.00 0.27 0.53 -0.59 -0.68 0.00 0.00 175.30 174.82 1wfz s PHE 54 N -2.09 -1.11 -0.30 -0.53 -0.12 -1.26 -2.57 117.98 110.00 1wfz s PHE 54 Ca 0.16 1.80 0.01 0.00 -0.05 0.00 0.00 56.93 58.85 1wfz s PHE 54 Cb -0.05 0.50 0.09 0.00 -0.63 0.00 0.00 43.02 42.93 1wfz s PHE 54 CO 0.07 -0.62 0.06 0.15 -0.05 0.00 0.00 175.22 174.83 1wfz s LYS 55 N 2.75 1.02 -0.09 1.99 -0.14 -0.53 -4.68 119.74 120.06 1wfz s LYS 55 Ca 0.01 -1.24 -0.03 0.00 -1.36 0.00 0.00 55.97 53.35 1wfz s LYS 55 Cb -0.13 -2.39 -0.03 0.00 -1.68 0.00 0.00 37.83 33.60 1wfz s LYS 55 CO -0.16 -0.91 0.03 0.99 -0.76 0.00 0.00 175.35 174.54 1wfz s THR 56 N 1.41 4.55 -0.21 2.17 2.01 -1.25 -0.07 115.64 124.25 1wfz s THR 56 Ca 0.08 -0.17 -0.04 0.00 0.31 0.00 0.00 61.69 61.87 1wfz s THR 56 Cb -0.18 -2.93 0.07 0.00 0.01 0.00 0.00 72.50 69.47 1wfz s THR 56 CO -0.18 0.60 0.08 -0.36 -0.69 0.00 0.00 174.62 174.07 1wfz s PHE 57 N -0.92 0.67 0.00 4.92 0.08 -0.83 -4.90 117.98 116.99 1wfz s PHE 57 Ca 0.14 -0.73 0.00 0.00 0.12 0.00 0.00 56.93 56.46 1wfz s PHE 57 Cb -0.11 -0.94 0.00 0.00 -0.57 0.00 0.00 43.02 41.39 1wfz s PHE 57 CO 0.03 -0.63 0.00 0.41 -0.10 0.00 0.00 175.22 174.93 1wfz n GLY 58 N 5.15 0.05 3.81 4.36 0.00 -1.26 -1.92 105.19 115.38 1wfz n GLY 58 Ca -0.07 -0.24 -0.34 0.00 0.00 0.00 0.00 46.02 45.37 1wfz n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wfz h GLY 60 N 2.33 -0.71 -1.17 0.00 0.00 -1.99 -2.08 103.07 99.45 1wfz h GLY 60 Ca -0.48 0.37 0.38 0.00 0.00 0.00 0.00 47.33 47.59 1wfz h GLY 60 CO 0.63 -0.27 0.78 1.44 0.00 0.00 0.00 176.54 179.12 1wfz n SER 61 N -5.43 0.12 -0.02 0.19 7.64 -1.26 0.23 113.62 115.08 1wfz n SER 61 Ca -0.09 0.97 -0.15 0.00 1.01 0.00 0.00 58.87 60.61 1wfz n SER 61 Cb 0.33 -0.48 -0.11 0.00 -1.01 0.00 0.00 64.21 62.95 1wfz n SER 61 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wfz h ALA 62 N 1.08 0.05 -0.92 -0.43 0.00 -1.75 -2.97 119.26 114.33 1wfz h ALA 62 Ca 0.68 -0.47 0.08 0.00 0.00 0.00 0.00 54.91 55.20 1wfz h ALA 62 Cb 2.34 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 20.07 1wfz h ALA 62 CO -0.26 0.12 0.57 0.82 0.00 0.00 0.00 179.25 180.51 1wfz h ILE 63 N -0.40 1.00 0.05 0.00 2.04 0.29 -2.35 117.51 118.14 1wfz h ILE 63 Ca -0.03 -0.34 -0.00 0.00 1.00 0.00 0.00 64.86 65.48 1wfz h ILE 63 Cb 1.02 -0.08 0.00 0.00 -0.74 0.00 0.00 36.82 37.02 1wfz h ILE 63 CO 0.06 0.18 -0.02 0.00 0.00 0.00 0.00 178.15 178.37 1wfz h ALA 64 N 1.46 -0.86 -0.85 1.87 0.00 -1.32 -1.64 119.26 117.92 1wfz h ALA 64 Ca 0.42 -0.01 0.16 0.00 0.00 0.00 0.00 54.91 55.48 1wfz h ALA 64 Cb 0.28 0.02 -0.16 0.00 0.00 0.00 0.00 17.79 17.93 1wfz h ALA 64 CO -0.21 -0.86 -0.23 0.45 0.00 0.00 0.00 179.25 178.40 1wfz n SER 65 N -2.19 -0.35 0.33 0.00 2.88 -1.12 -0.15 113.62 113.02 1wfz n SER 65 Ca -0.01 1.46 -0.18 0.00 -1.33 0.00 0.00 58.87 58.82 1wfz n SER 65 Cb 0.02 -0.42 -0.09 0.00 -0.75 0.00 0.00 64.21 62.97 1wfz n SER 65 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1wfz h SER 66 N 0.00 -1.07 -0.74 -3.46 4.64 -1.43 0.24 113.55 111.73 1wfz h SER 66 Ca 0.39 0.07 0.15 0.00 -0.47 0.00 0.00 61.79 61.93 1wfz h SER 66 Cb 0.60 0.33 -0.14 0.00 -0.31 0.00 0.00 62.40 62.88 1wfz h SER 66 CO -0.87 -0.61 -0.16 -1.28 -0.87 0.00 0.00 176.83 173.04 1wfz h SER 67 N -0.96 -0.64 0.07 4.97 0.87 0.47 0.54 113.55 118.87 1wfz h SER 67 Ca -0.07 0.22 -0.10 0.00 -1.23 0.00 0.00 61.79 60.61 1wfz h SER 67 Cb 0.80 0.44 -0.01 0.00 -0.44 0.00 0.00 62.40 63.19 1wfz h SER 67 CO 0.03 -0.24 -0.31 0.25 -0.53 0.00 0.00 176.83 176.04 1wfz h LEU 68 N 0.01 0.36 0.42 2.23 6.46 -0.95 -2.72 115.31 121.12 1wfz h LEU 68 Ca 0.36 -0.13 -0.02 0.00 -0.12 0.00 0.00 57.88 57.97 1wfz h LEU 68 Cb 0.57 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 40.40 1wfz h LEU 68 CO -0.75 0.66 -0.20 0.00 -0.62 0.00 0.00 178.44 177.54 1wfz h ALA 69 N 1.36 -0.77 0.00 1.25 0.00 0.34 -2.24 119.26 119.20 1wfz h ALA 69 Ca 0.04 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1wfz h ALA 69 Cb 0.71 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1wfz h ALA 69 CO 0.05 -0.73 0.28 0.00 0.00 0.00 0.00 179.25 178.85 1wfz h THR 70 N -0.82 0.00 0.00 0.00 1.03 -0.47 0.59 112.91 113.24 1wfz h THR 70 Ca -0.06 0.00 -0.20 0.00 -0.01 0.00 0.00 66.41 66.14 1wfz h THR 70 Cb 0.43 0.44 -0.03 0.00 -1.07 0.00 0.00 68.15 67.92 1wfz h THR 70 CO 0.09 0.00 -1.31 -0.08 -0.01 0.00 0.00 175.52 174.22 1wfz h GLU 71 N 0.00 0.00 0.00 0.00 4.57 -1.34 -3.29 114.58 114.51 1wfz h GLU 71 Ca 0.00 0.00 -0.19 0.00 -1.18 0.00 0.00 59.36 57.99 1wfz h GLU 71 Cb 0.55 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.12 1wfz h GLU 71 CO 0.00 0.48 -0.91 -1.49 -1.18 0.00 0.00 179.01 175.91 1wfz h TRP 72 N 0.00 0.00 0.00 0.92 4.06 0.79 -3.21 115.95 118.52 1wfz h TRP 72 Ca -0.15 0.00 -0.07 0.00 2.06 0.00 0.00 58.89 60.73 1wfz h TRP 72 Cb 1.71 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.86 1wfz h TRP 72 CO 0.00 0.91 -0.31 -0.39 -3.56 0.00 0.00 178.44 175.09 1wfz h VAL 73 N 0.00 0.71 -2.60 1.49 -1.51 -1.54 -3.40 116.25 109.39 1wfz h VAL 73 Ca -0.01 -1.40 -0.53 0.00 -1.23 0.00 0.00 66.70 63.53 1wfz h VAL 73 Cb 1.67 1.91 0.06 0.00 -2.13 0.00 0.00 31.29 32.79 1wfz h VAL 73 CO 0.12 0.30 0.98 0.29 -1.23 0.00 0.00 177.57 178.04 1wfz n LYS 74 N -3.42 2.69 0.00 5.19 5.02 -1.21 -1.80 118.16 124.62 1wfz n LYS 74 Ca 0.00 0.97 0.00 0.00 -2.02 0.00 0.00 58.31 57.26 1wfz n LYS 74 Cb 0.50 -2.81 0.00 0.00 -0.02 0.00 0.00 35.03 32.70 1wfz n LYS 74 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wfz n GLY 75 N 3.88 2.14 3.84 0.72 0.00 -0.17 -4.98 105.19 110.63 1wfz n GLY 75 Ca 0.16 -0.05 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 1wfz n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wfz s LYS 76 N 0.00 2.40 0.21 1.61 1.02 -0.75 -4.58 119.74 119.64 1wfz s LYS 76 Ca 0.00 0.52 0.04 0.00 0.02 0.00 0.00 55.97 56.55 1wfz s LYS 76 Cb 0.00 -1.96 -0.03 0.00 -0.52 0.00 0.00 37.83 35.31 1wfz s LYS 76 CO 0.00 -1.38 0.33 0.95 -0.92 0.00 0.00 175.35 174.34 1wfz s THR 77 N -3.27 5.28 0.31 2.17 -4.23 -1.26 -0.48 115.64 114.15 1wfz s THR 77 Ca 0.60 -0.88 0.06 0.00 -1.18 0.00 0.00 61.69 60.29 1wfz s THR 77 Cb -0.13 -3.82 0.33 0.00 1.34 0.00 0.00 72.50 70.22 1wfz s THR 77 CO 0.53 -0.24 1.64 -0.37 -0.54 0.00 0.00 174.62 175.63 1wfz h VAL 78 N 1.34 0.26 -0.41 2.29 -1.51 -1.92 0.33 116.25 116.63 1wfz h VAL 78 Ca -0.51 -0.07 0.02 0.00 -1.23 0.00 0.00 66.70 64.92 1wfz h VAL 78 Cb 1.22 0.05 -0.03 0.00 -2.13 0.00 0.00 31.29 30.39 1wfz h VAL 78 CO 0.64 0.04 0.23 -0.33 -1.23 0.00 0.00 177.57 176.92 1wfz h GLU 79 N 0.20 0.45 0.21 5.19 5.08 -1.94 -2.23 114.58 121.53 1wfz h GLU 79 Ca 0.61 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.93 1wfz h GLU 79 Cb 1.30 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1wfz h GLU 79 CO -0.68 0.30 -0.10 0.93 -1.00 0.00 0.00 179.01 178.46 1wfz h GLU 80 N 0.47 -0.27 -1.01 2.33 4.39 -0.78 -2.64 114.58 117.07 1wfz h GLU 80 Ca 0.17 0.02 0.23 0.00 0.34 0.00 0.00 59.36 60.12 1wfz h GLU 80 Cb 0.03 0.06 -0.11 0.00 -0.10 0.00 0.00 28.75 28.63 1wfz h GLU 80 CO -0.09 -0.14 0.62 0.00 -1.16 0.00 0.00 179.01 178.24 1wfz h ALA 81 N 0.47 1.87 0.00 3.43 0.00 -1.03 0.60 119.26 124.59 1wfz h ALA 81 Ca -0.03 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1wfz h ALA 81 Cb 0.25 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1wfz h ALA 81 CO 0.05 -0.29 -0.02 -0.07 0.00 0.00 0.00 179.25 178.92 1wfz h LEU 82 N 0.59 0.00 -0.61 0.00 -0.00 -1.03 0.81 115.31 115.07 1wfz h LEU 82 Ca 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.49 1wfz h LEU 82 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.85 1wfz h LEU 82 CO -0.40 0.02 0.00 0.35 -0.00 0.00 0.00 178.44 178.41 1wfz n THR 83 N -4.06 0.20 -3.03 0.22 -2.24 0.21 -4.77 114.28 100.82 1wfz n THR 83 Ca -0.03 -0.22 -0.43 0.00 -2.27 0.00 0.00 64.05 61.11 1wfz n THR 83 Cb 0.10 0.09 -0.06 0.00 -2.10 0.00 0.00 70.33 68.37 1wfz n THR 83 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1wfz s ILE 84 N -1.80 4.72 0.53 2.28 1.01 0.28 -5.05 121.20 123.16 1wfz s ILE 84 Ca 0.16 0.19 -0.01 0.00 0.00 0.00 0.00 60.65 60.99 1wfz s ILE 84 Cb 0.08 -4.30 0.01 0.00 0.01 0.00 0.00 42.46 38.27 1wfz s ILE 84 CO 0.12 -0.72 0.77 -0.54 0.00 0.00 0.00 174.94 174.57 1wfz s LYS 85 N 3.10 2.83 -0.06 2.79 -0.14 -1.26 -4.87 119.74 122.14 1wfz s LYS 85 Ca 0.25 -0.45 -0.19 0.00 -1.36 0.00 0.00 55.97 54.23 1wfz s LYS 85 Cb -0.14 -2.45 -0.31 0.00 -1.68 0.00 0.00 37.83 33.26 1wfz s LYS 85 CO 0.20 -0.56 0.80 -2.95 -0.76 0.00 0.00 175.35 172.08 1wfz h ASN 86 N 0.11 0.49 -0.98 2.83 7.08 -1.93 -3.32 115.58 119.86 1wfz h ASN 86 Ca -0.45 -0.92 0.28 0.00 -3.08 0.00 0.00 56.30 52.14 1wfz h ASN 86 Cb 1.27 -0.16 -0.18 0.00 -2.08 0.00 0.00 38.32 37.17 1wfz h ASN 86 CO 0.57 1.51 0.10 0.71 -2.08 0.00 0.00 177.43 178.24 1wfz h THR 87 N -0.28 0.05 -0.05 6.14 1.35 -1.96 0.41 112.91 118.57 1wfz h THR 87 Ca -0.21 -0.01 -0.00 0.00 -0.55 0.00 0.00 66.41 65.64 1wfz h THR 87 Cb 1.75 0.02 -0.00 0.00 -1.73 0.00 0.00 68.15 68.19 1wfz h THR 87 CO 0.14 0.00 0.02 0.44 -0.25 0.00 0.00 175.52 175.87 1wfz h ASP 88 N 0.02 0.07 0.23 5.36 3.32 -2.00 -3.18 116.42 120.24 1wfz h ASP 88 Ca 0.62 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 57.49 1wfz h ASP 88 Cb 1.33 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 40.83 1wfz h ASP 88 CO -0.88 0.23 -0.40 0.40 -1.72 0.00 0.00 179.24 176.86 1wfz h ILE 89 N -0.10 0.00 -0.78 0.35 2.04 -0.34 -1.89 117.51 116.79 1wfz h ILE 89 Ca 0.02 0.00 0.28 0.00 1.00 0.00 0.00 64.86 66.16 1wfz h ILE 89 Cb 0.18 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.12 1wfz h ILE 89 CO -0.00 0.00 0.26 0.00 0.00 0.00 0.00 178.15 178.41 1wfz n ALA 90 N -2.76 0.64 0.39 1.87 0.00 -0.40 0.30 120.51 120.56 1wfz n ALA 90 Ca -0.08 0.81 -0.17 0.00 0.00 0.00 0.00 53.44 54.01 1wfz n ALA 90 Cb 0.34 -0.72 -0.08 0.00 0.00 0.00 0.00 19.45 18.98 1wfz n ALA 90 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1wfz h LYS 91 N 0.00 -0.97 -0.99 0.00 3.64 -1.33 1.89 116.57 118.81 1wfz h LYS 91 Ca 0.59 0.07 0.35 0.00 -1.27 0.00 0.00 60.65 60.39 1wfz h LYS 91 Cb 1.45 0.22 -0.17 0.00 -0.41 0.00 0.00 32.23 33.32 1wfz h LYS 91 CO -0.66 -0.62 0.47 0.93 -2.27 0.00 0.00 179.45 177.30 1wfz h GLU 92 N -1.16 0.14 0.00 1.90 4.39 0.22 0.87 114.58 120.93 1wfz h GLU 92 Ca -0.10 -0.01 -0.06 0.00 0.34 0.00 0.00 59.36 59.53 1wfz h GLU 92 Cb 0.79 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.40 1wfz h GLU 92 CO 0.17 0.09 -1.34 1.28 -1.16 0.00 0.00 179.01 178.05 1wfz n LEU 93 N -5.20 0.68 -3.48 1.33 7.99 -0.87 -5.00 117.00 112.45 1wfz n LEU 93 Ca 0.33 0.28 -0.18 0.00 -0.01 0.00 0.00 56.01 56.42 1wfz n LEU 93 Cb 1.07 0.01 0.07 0.00 -0.11 0.00 0.00 43.42 44.46 1wfz n LEU 93 CO 0.04 -0.04 0.05 0.00 -1.51 0.00 0.00 177.39 175.93 1wfz s LEU 95 N -6.29 3.85 0.91 0.00 0.05 -0.94 -5.02 118.68 111.24 1wfz s LEU 95 Ca 0.09 1.12 -0.12 0.00 0.05 0.00 0.00 54.13 55.27 1wfz s LEU 95 Cb -0.02 -4.00 0.14 0.00 -2.05 0.00 0.00 46.19 40.27 1wfz s LEU 95 CO 0.76 -0.38 1.09 -2.16 -0.55 0.00 0.00 176.35 175.11 1wfz s PRO 96 N -3.80 1.13 0.00 1.48 0.04 -1.26 -4.91 135.00 127.68 1wfz s PRO 96 Ca 0.51 0.77 0.15 0.00 0.04 0.00 0.00 61.00 62.47 1wfz s PRO 96 Cb -0.10 -1.80 0.81 0.00 0.04 0.00 0.00 34.50 33.45 1wfz s PRO 96 CO 0.31 -2.32 1.37 -0.35 0.04 0.00 0.00 177.00 176.05 1wfz n PRO 97 N -3.93 0.32 -0.04 0.56 -0.04 -1.26 -2.37 135.00 128.24 1wfz n PRO 97 Ca 0.07 0.09 -0.09 0.00 -0.04 0.00 0.00 63.50 63.52 1wfz n PRO 97 Cb 0.56 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.37 1wfz n PRO 97 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 1wfz n VAL 98 N -1.17 1.57 0.00 0.52 3.14 -1.26 -4.02 118.33 117.11 1wfz n VAL 98 Ca 0.09 -0.80 0.08 0.00 -2.96 0.00 0.00 64.34 60.75 1wfz n VAL 98 Cb 0.09 -0.94 0.27 0.00 -1.06 0.00 0.00 33.84 32.20 1wfz n VAL 98 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 1wfz n LYS 99 N -3.00 2.74 -0.30 1.45 4.76 -1.00 -4.49 118.16 118.33 1wfz n LYS 99 Ca -0.21 -2.18 0.12 0.00 -2.87 0.00 0.00 58.31 53.17 1wfz n LYS 99 Cb 1.07 -1.60 0.27 0.00 -1.84 0.00 0.00 35.03 32.94 1wfz n LYS 99 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1wfz h LEU 100 N 3.34 -0.09 -0.92 -0.35 3.38 -1.68 0.20 115.31 119.18 1wfz h LEU 100 Ca 0.00 0.21 0.38 0.00 0.09 0.00 0.00 57.88 58.56 1wfz h LEU 100 Cb 0.98 0.30 -0.17 0.00 0.09 0.00 0.00 40.66 41.86 1wfz h LEU 100 CO 0.09 -0.18 0.49 0.00 0.09 0.00 0.00 178.44 178.92 1wfz n HIS 101 N -5.27 1.07 0.21 1.13 1.44 -1.26 0.40 115.22 112.94 1wfz n HIS 101 Ca 0.21 1.09 -0.15 0.00 -2.01 0.00 0.00 57.72 56.86 1wfz n HIS 101 Cb 0.67 -1.49 -0.08 0.00 0.12 0.00 0.00 29.99 29.20 1wfz n HIS 101 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1wfz h SER 103 N -0.74 -1.06 -0.14 0.00 4.64 -0.13 -0.67 113.55 115.45 1wfz h SER 103 Ca -0.05 0.24 -0.03 0.00 -0.47 0.00 0.00 61.79 61.47 1wfz h SER 103 Cb 0.51 0.57 -0.00 0.00 -0.31 0.00 0.00 62.40 63.17 1wfz h SER 103 CO 0.09 -0.29 -0.04 0.00 -0.87 0.00 0.00 176.83 175.72 1wfz h MET 104 N -0.09 0.28 -0.99 4.77 -0.00 -1.43 -3.09 114.93 114.38 1wfz h MET 104 Ca 0.29 -0.11 0.35 0.00 -0.00 0.00 0.00 59.70 60.23 1wfz h MET 104 Cb 0.56 -0.01 -0.17 0.00 -0.00 0.00 0.00 31.60 31.97 1wfz h MET 104 CO -0.76 0.57 0.36 1.25 -0.00 0.00 0.00 176.91 178.33 1wfz h LEU 105 N -0.03 0.07 -0.10 -0.10 5.85 0.79 0.54 115.31 122.33 1wfz h LEU 105 Ca 0.04 0.25 -0.01 0.00 0.84 0.00 0.00 57.88 59.00 1wfz h LEU 105 Cb 0.47 0.32 -0.00 0.00 0.37 0.00 0.00 40.66 41.82 1wfz h LEU 105 CO 0.02 -0.35 0.03 0.00 -0.34 0.00 0.00 178.44 177.79 1wfz h ALA 106 N 1.96 0.13 -0.22 1.25 0.00 -1.26 -1.74 119.26 119.38 1wfz h ALA 106 Ca 0.74 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.57 1wfz h ALA 106 Cb 1.78 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 19.49 1wfz h ALA 106 CO -0.79 -0.26 -0.06 1.49 0.00 0.00 0.00 179.25 179.64 1wfz h GLU 107 N -0.03 -0.01 -0.90 0.00 4.81 0.00 -1.55 114.58 116.90 1wfz h GLU 107 Ca 0.03 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.30 1wfz h GLU 107 Cb 0.22 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.55 1wfz h GLU 107 CO -0.00 -0.00 0.59 -0.44 -0.73 0.00 0.00 179.01 178.42 1wfz h ASP 108 N -0.01 0.97 0.14 1.04 3.32 -1.13 -2.57 116.42 118.19 1wfz h ASP 108 Ca 0.11 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1wfz h ASP 108 Cb 0.17 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 1wfz h ASP 108 CO -0.23 0.66 -0.14 0.00 -1.72 0.00 0.00 179.24 177.81 1wfz h ALA 109 N 1.38 -0.28 0.13 3.45 0.00 -0.56 -1.44 119.26 121.93 1wfz h ALA 109 Ca 0.36 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1wfz h ALA 109 Cb 0.01 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1wfz h ALA 109 CO -0.12 -0.68 -0.27 0.82 0.00 0.00 0.00 179.25 179.00 1wfz h ILE 110 N -0.31 0.00 -0.87 0.00 2.04 -1.01 -1.20 117.51 116.17 1wfz h ILE 110 Ca 0.01 0.00 0.23 0.00 1.00 0.00 0.00 64.86 66.09 1wfz h ILE 110 Cb 0.30 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.24 1wfz h ILE 110 CO -0.04 0.00 0.21 0.11 0.00 0.00 0.00 178.15 178.43 1wfz h LYS 111 N -0.43 0.19 -0.79 2.37 6.56 -1.46 0.37 116.57 123.37 1wfz h LYS 111 Ca -0.01 -0.01 0.07 0.00 -1.06 0.00 0.00 60.65 59.63 1wfz h LYS 111 Cb 0.41 -0.04 -0.06 0.00 -0.57 0.00 0.00 32.23 31.97 1wfz h LYS 111 CO -0.11 0.13 0.47 0.00 -2.06 0.00 0.00 179.45 177.87 1wfz h ALA 112 N 1.78 1.09 0.34 3.86 0.00 -0.67 -0.60 119.26 125.05 1wfz h ALA 112 Ca 0.54 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.44 1wfz h ALA 112 Cb 1.08 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 1wfz h ALA 112 CO -0.66 0.18 -0.21 0.00 0.00 0.00 0.00 179.25 178.55 1wfz h ALA 113 N 1.39 -1.05 -0.03 0.00 0.00 0.93 -1.03 119.26 119.48 1wfz h ALA 113 Ca 0.35 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.19 1wfz h ALA 113 Cb 0.21 0.33 -0.06 0.00 0.00 0.00 0.00 17.79 18.27 1wfz h ALA 113 CO -0.19 -1.04 -0.46 -0.07 0.00 0.00 0.00 179.25 177.50 1wfz h LEU 114 N -0.51 -1.41 -0.17 0.00 -0.00 -1.39 -2.00 115.31 109.83 1wfz h LEU 114 Ca -0.04 0.17 0.02 0.00 -0.00 0.00 0.00 57.88 58.02 1wfz h LEU 114 Cb 0.41 0.55 -0.03 0.00 -0.00 0.00 0.00 40.66 41.60 1wfz h LEU 114 CO 0.04 -0.48 -0.16 0.00 -0.00 0.00 0.00 178.44 177.84 1wfz h ALA 115 N -0.13 -0.35 -0.97 1.53 0.00 -1.13 -0.17 119.26 118.04 1wfz h ALA 115 Ca 0.04 0.01 0.21 0.00 0.00 0.00 0.00 54.91 55.17 1wfz h ALA 115 Cb 0.68 0.91 -0.18 0.00 0.00 0.00 0.00 17.79 19.19 1wfz h ALA 115 CO -0.35 -0.44 -0.19 0.22 0.00 0.00 0.00 179.25 178.49 1wfz h ASP 116 N -0.08 -0.82 -0.62 0.00 3.58 -1.01 0.69 116.42 118.16 1wfz h ASP 116 Ca 0.03 0.29 0.07 0.00 0.42 0.00 0.00 57.03 57.83 1wfz h ASP 116 Cb 0.16 0.58 -0.06 0.00 1.72 0.00 0.00 39.33 41.72 1wfz h ASP 116 CO -0.20 -0.32 0.32 0.22 -2.88 0.00 0.00 179.24 176.38 1wfz h TYR 117 N 0.00 0.58 -0.39 0.28 3.20 -0.37 -2.22 116.97 118.06 1wfz h TYR 117 Ca 0.49 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.37 1wfz h TYR 117 Cb 0.79 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.88 1wfz h TYR 117 CO -0.70 0.25 0.19 0.87 -1.64 0.00 0.00 178.16 177.13 1wfz h LYS 118 N 0.58 0.55 -0.65 1.82 1.57 0.20 -2.85 116.57 117.80 1wfz h LYS 118 Ca 0.29 -0.08 0.14 0.00 -1.87 0.00 0.00 60.65 59.12 1wfz h LYS 118 Cb 0.23 -0.10 -0.11 0.00 0.08 0.00 0.00 32.23 32.33 1wfz h LYS 118 CO -0.21 0.49 0.02 -0.07 -0.57 0.00 0.00 179.45 179.11 1wfz h LEU 119 N 0.48 -0.26 -1.27 2.94 3.38 -0.44 0.20 115.31 120.35 1wfz h LEU 119 Ca 0.13 0.16 0.01 0.00 0.09 0.00 0.00 57.88 58.27 1wfz h LEU 119 Cb 0.12 0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 1wfz h LEU 119 CO -0.02 -0.12 0.48 0.11 0.09 0.00 0.00 178.44 178.98 1wfz h LYS 120 N 0.13 0.96 -0.17 1.13 1.57 -1.28 -1.63 116.57 117.29 1wfz h LYS 120 Ca 0.34 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.98 1wfz h LYS 120 Cb 0.57 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 1wfz h LYS 120 CO -0.55 0.65 -0.23 1.96 -0.57 0.00 0.00 179.45 180.71 1wfz h GLN 121 N 0.99 0.31 -0.42 3.15 1.08 -0.44 -2.91 115.11 116.87 1wfz h GLN 121 Ca 0.27 -0.10 -0.09 0.00 -1.45 0.00 0.00 58.65 57.27 1wfz h GLN 121 Cb -0.10 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.29 1wfz h GLN 121 CO -0.06 0.53 -0.11 0.93 -0.95 0.00 0.00 178.83 179.18 1wfz h GLU 122 N 0.28 0.81 -5.57 1.46 4.39 -0.23 -3.44 114.58 112.28 1wfz h GLU 122 Ca 0.05 -0.31 -0.81 0.00 0.34 0.00 0.00 59.36 58.62 1wfz h GLU 122 Cb 0.57 -0.04 0.01 0.00 -0.10 0.00 0.00 28.75 29.19 1wfz h GLU 122 CO 0.04 0.94 0.59 0.45 -1.16 0.00 0.00 179.01 179.86 1wfz n SER 123 N -4.30 1.02 -0.05 1.42 2.88 -0.99 -4.87 113.62 108.73 1wfz n SER 123 Ca -0.01 1.10 -0.05 0.00 -1.33 0.00 0.00 58.87 58.59 1wfz n SER 123 Cb 0.37 -0.82 -0.02 0.00 -0.75 0.00 0.00 64.21 63.00 1wfz n SER 123 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1wfz n LYS 124 N 3.49 0.28 -3.90 -1.46 0.00 -1.26 -4.90 118.16 110.41 1wfz n LYS 124 Ca 0.28 0.11 -0.32 0.00 0.00 0.00 0.00 58.31 58.37 1wfz n LYS 124 Cb -0.04 -0.98 -0.13 0.00 0.00 0.00 0.00 35.03 33.88 1wfz n LYS 124 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 1wfz s SER 125 N -5.12 4.78 0.00 3.14 0.01 -1.26 -4.98 113.70 110.26 1wfz s SER 125 Ca -0.15 -2.54 0.00 0.00 1.31 0.00 0.00 55.95 54.56 1wfz s SER 125 Cb 0.02 -1.70 0.00 0.00 0.21 0.00 0.00 66.02 64.55 1wfz s SER 125 CO 0.23 -0.36 0.00 0.61 0.41 0.00 0.00 173.24 174.13 1wfz n GLY 126 N 3.79 3.28 0.06 3.44 0.00 -1.26 -5.01 105.19 109.50 1wfz n GLY 126 Ca 0.04 -1.23 -0.13 0.00 0.00 0.00 0.00 46.02 44.70 1wfz n GLY 126 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wfz h PRO 127 N 0.00 -0.03 -4.83 1.61 0.13 -1.96 -3.42 132.00 123.50 1wfz h PRO 127 Ca 0.00 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.46 1wfz h PRO 127 Cb 0.00 0.01 -0.36 0.00 0.13 0.00 0.00 31.00 30.78 1wfz h PRO 127 CO 0.00 0.45 -0.76 -1.12 -0.23 0.00 0.00 178.00 176.34 1wfz s SER 128 N -5.66 4.60 0.22 1.44 0.01 -1.26 -5.03 113.70 108.03 1wfz s SER 128 Ca -0.16 -1.40 -0.09 0.00 1.31 0.00 0.00 55.95 55.62 1wfz s SER 128 Cb 0.02 -1.60 -0.07 0.00 0.21 0.00 0.00 66.02 64.57 1wfz s SER 128 CO 0.66 -0.22 0.52 -0.55 0.41 0.00 0.00 173.24 174.06 1wfz s SER 129 N 1.15 6.59 0.00 2.44 0.15 -1.26 -5.23 113.70 117.54 1wfz s SER 129 Ca -0.07 0.86 0.00 0.00 0.70 0.00 0.00 55.95 57.44 1wfz s SER 129 Cb -0.20 -2.20 0.00 0.00 -1.71 0.00 0.00 66.02 61.91 1wfz s SER 129 CO -0.04 -0.06 0.00 0.61 1.20 0.00 0.00 173.24 174.95