#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 6.54 0.22 1.61 1.04 -1.26 -5.09 113.70 116.76 1wfz s SER 2 Ca 0.00 0.64 -0.00 0.00 0.48 0.00 0.00 55.95 57.07 1wfz s SER 2 Cb 0.00 -2.15 -0.04 0.00 0.10 0.00 0.00 66.02 63.92 1wfz s SER 2 CO 0.00 0.32 0.12 -0.44 0.98 0.00 0.00 173.24 174.22 1wfz s SER 3 N -0.72 0.54 0.95 7.02 0.01 -1.26 -4.97 113.70 115.27 1wfz s SER 3 Ca 0.18 -1.40 0.00 0.00 1.31 0.00 0.00 55.95 56.04 1wfz s SER 3 Cb -0.14 0.32 0.00 0.00 0.21 0.00 0.00 66.02 66.41 1wfz s SER 3 CO 0.07 -0.81 0.00 0.61 0.41 0.00 0.00 173.24 173.52 1wfz n GLY 4 N -0.35 1.43 3.81 3.44 0.00 -1.26 -4.90 105.19 107.36 1wfz n GLY 4 Ca 0.01 -0.58 -0.30 0.00 0.00 0.00 0.00 46.02 45.16 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 4.86 -3.26 -0.27 1.61 3.41 -1.26 -4.63 113.62 114.08 1wfz n SER 5 Ca 0.00 -0.69 -0.12 0.00 -0.26 0.00 0.00 58.87 57.79 1wfz n SER 5 Cb 0.00 -2.70 -0.09 0.00 -0.26 0.00 0.00 64.21 61.16 1wfz n SER 5 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1wfz h SER 6 N -1.16 -1.98 0.00 4.04 0.87 -1.90 -3.46 113.55 109.96 1wfz h SER 6 Ca -0.49 0.28 0.00 0.00 -1.23 0.00 0.00 61.79 60.35 1wfz h SER 6 Cb 1.32 0.85 0.00 0.00 -0.44 0.00 0.00 62.40 64.13 1wfz h SER 6 CO 0.65 -0.32 0.00 0.61 -0.53 0.00 0.00 176.83 177.23 1wfz n GLY 7 N -1.32 2.33 3.60 5.77 0.00 -1.26 -4.87 105.19 109.43 1wfz n GLY 7 Ca -0.01 -0.44 -0.52 0.00 0.00 0.00 0.00 46.02 45.05 1wfz n GLY 7 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1wfz n GLU 8 N 11.99 1.18 -2.21 1.61 2.13 -1.26 -4.90 120.64 129.19 1wfz n GLU 8 Ca 0.00 0.43 -0.38 0.00 0.66 0.00 0.00 57.16 57.87 1wfz n GLU 8 Cb 0.00 -2.08 -0.01 0.00 0.27 0.00 0.00 31.44 29.62 1wfz n GLU 8 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1wfz s ASN 9 N 0.69 6.18 1.05 4.31 4.22 -1.26 -5.02 114.94 125.12 1wfz s ASN 9 Ca 0.85 2.38 -0.14 0.00 -2.14 0.00 0.00 52.86 53.82 1wfz s ASN 9 Cb -0.95 -2.61 0.22 0.00 1.28 0.00 0.00 41.25 39.18 1wfz s ASN 9 CO 0.48 -0.91 1.10 -2.16 -2.04 0.00 0.00 177.10 173.56 1wfz s PRO 10 N -2.59 -0.01 -0.03 3.55 0.04 -1.26 -5.05 135.00 129.66 1wfz s PRO 10 Ca 0.62 0.37 -0.02 0.00 0.04 0.00 0.00 61.00 62.01 1wfz s PRO 10 Cb -0.31 -1.70 -0.01 0.00 0.04 0.00 0.00 34.50 32.53 1wfz s PRO 10 CO 0.38 -3.00 -0.04 -2.13 0.04 0.00 0.00 177.00 172.25 1wfz n ARG 11 N -4.33 0.08 -2.29 4.56 3.00 -1.26 -4.71 116.66 111.70 1wfz n ARG 11 Ca 0.07 0.16 -0.34 0.00 -0.00 0.00 0.00 57.85 57.73 1wfz n ARG 11 Cb 0.58 -0.77 -0.04 0.00 0.00 0.00 0.00 32.46 32.23 1wfz n ARG 11 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.63 176.83 1wfz s ASN 12 N -4.09 5.80 -0.28 6.15 -0.87 -1.26 -4.82 114.94 115.57 1wfz s ASN 12 Ca -0.04 -1.94 -0.09 0.00 -1.57 0.00 0.00 52.86 49.23 1wfz s ASN 12 Cb 0.00 -2.58 0.13 0.00 -0.02 0.00 0.00 41.25 38.78 1wfz s ASN 12 CO 0.05 -2.26 0.59 -0.69 -2.57 0.00 0.00 177.10 172.23 1wfz s VAL 13 N 8.10 -0.92 0.00 1.60 1.01 -1.26 -4.54 120.40 124.39 1wfz s VAL 13 Ca 0.62 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.63 1wfz s VAL 13 Cb 0.01 -0.93 0.00 0.00 0.00 0.00 0.00 36.38 35.46 1wfz s VAL 13 CO 0.10 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.82 1wfz n GLY 14 N 5.44 4.45 3.26 4.51 0.00 -1.26 -5.04 105.19 116.55 1wfz n GLY 14 Ca -0.10 -0.44 0.01 0.00 0.00 0.00 0.00 46.02 45.49 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 1.54 -1.16 0.58 1.61 0.01 -1.26 -4.82 113.70 110.21 1wfz s SER 15 Ca 0.00 1.01 -0.09 0.00 1.31 0.00 0.00 55.95 58.18 1wfz s SER 15 Cb 0.00 2.09 -0.03 0.00 0.21 0.00 0.00 66.02 68.29 1wfz s SER 15 CO 0.00 -0.25 0.96 -0.76 0.41 0.00 0.00 173.24 173.60 1wfz s LEU 16 N 2.84 3.33 -0.32 2.44 1.43 -1.26 -4.98 118.68 122.15 1wfz s LEU 16 Ca 0.13 1.23 -0.29 0.00 -1.03 0.00 0.00 54.13 54.17 1wfz s LEU 16 Cb -0.14 -4.23 -0.01 0.00 0.03 0.00 0.00 46.19 41.83 1wfz s LEU 16 CO -0.20 -0.82 1.71 -0.62 0.23 0.00 0.00 176.35 176.65 1wfz s ASP 17 N -4.17 6.05 0.41 2.29 2.15 -1.26 -4.85 116.67 117.28 1wfz s ASP 17 Ca 0.53 1.28 0.22 0.00 0.43 0.00 0.00 52.55 55.01 1wfz s ASP 17 Cb -0.11 -2.53 0.65 0.00 -0.30 0.00 0.00 42.92 40.63 1wfz s ASP 17 CO 0.51 -1.59 1.71 0.07 -0.17 0.00 0.00 175.17 175.70 1wfz h LYS 18 N 12.15 0.00 -0.49 4.34 5.09 -1.94 -3.13 116.57 132.59 1wfz h LYS 18 Ca -0.33 0.00 -0.04 0.00 0.09 0.00 0.00 60.65 60.38 1wfz h LYS 18 Cb 1.16 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 33.46 1wfz h LYS 18 CO 1.03 0.25 0.16 1.79 -2.09 0.00 0.00 179.45 180.59 1wfz h THR 19 N 0.00 1.20 -3.92 0.07 1.35 -1.91 -3.43 112.91 106.27 1wfz h THR 19 Ca -0.00 -0.67 -0.53 0.00 -0.55 0.00 0.00 66.41 64.66 1wfz h THR 19 Cb 0.93 0.66 0.08 0.00 -1.73 0.00 0.00 68.15 68.09 1wfz h THR 19 CO 0.03 0.26 0.64 -0.44 -0.25 0.00 0.00 175.52 175.76 1wfz s SER 20 N -6.61 6.49 0.14 5.36 0.01 -1.19 -4.92 113.70 112.99 1wfz s SER 20 Ca -0.09 2.71 0.24 0.00 1.31 0.00 0.00 55.95 60.12 1wfz s SER 20 Cb 0.16 -2.65 0.38 0.00 0.21 0.00 0.00 66.02 64.12 1wfz s SER 20 CO 0.78 -0.73 1.37 0.07 0.41 0.00 0.00 173.24 175.13 1wfz h LYS 21 N 2.98 0.00 0.00 12.44 -0.00 -1.89 -3.28 116.57 126.82 1wfz h LYS 21 Ca -0.49 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.16 1wfz h LYS 21 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.47 1wfz h LYS 21 CO 0.64 0.00 0.00 -2.95 -0.00 0.00 0.00 179.45 177.14 1wfz h ASN 22 N 0.00 0.00 -3.46 7.07 -1.07 -1.91 -3.42 115.58 112.79 1wfz h ASN 22 Ca 0.00 0.00 -0.67 0.00 0.07 0.00 0.00 56.30 55.70 1wfz h ASN 22 Cb 0.77 0.00 -0.35 0.00 -2.07 0.00 0.00 38.32 36.67 1wfz h ASN 22 CO 0.00 0.00 -0.80 0.54 0.07 0.00 0.00 177.43 177.24 1wfz s VAL 23 N -3.20 2.36 0.68 6.14 0.11 -1.24 0.05 120.40 125.30 1wfz s VAL 23 Ca 0.08 -1.18 -0.09 0.00 -2.93 0.00 0.00 61.98 57.86 1wfz s VAL 23 Cb 0.10 -2.19 0.02 0.00 -1.53 0.00 0.00 36.38 32.79 1wfz s VAL 23 CO 0.56 0.25 1.03 -0.83 -3.33 0.00 0.00 175.10 172.79 1wfz s GLY 24 N 1.24 1.62 -0.22 6.54 0.00 -0.84 -4.79 107.32 110.87 1wfz s GLY 24 Ca -0.01 -0.55 -0.01 0.00 0.00 0.00 0.00 44.72 44.15 1wfz s GLY 24 CO -0.08 -0.19 0.01 -1.59 0.00 0.00 0.00 173.10 171.25 1wfz s THR 25 N -3.24 0.93 -0.33 0.90 2.01 -1.26 -3.05 115.64 111.60 1wfz s THR 25 Ca 0.57 -0.90 -0.04 0.00 0.31 0.00 0.00 61.69 61.64 1wfz s THR 25 Cb -0.11 -1.38 0.05 0.00 0.01 0.00 0.00 72.50 71.07 1wfz s THR 25 CO 0.49 -0.22 0.06 -0.83 -0.69 0.00 0.00 174.62 173.43 1wfz s GLY 26 N 1.66 1.81 -0.17 4.40 0.00 0.42 -4.66 107.32 110.79 1wfz s GLY 26 Ca -0.02 -1.85 -0.03 0.00 0.00 0.00 0.00 44.72 42.83 1wfz s GLY 26 CO -0.09 0.76 -0.06 -2.27 0.00 0.00 0.00 173.10 171.44 1wfz s LEU 27 N 1.29 3.01 -0.08 0.66 2.96 -1.26 0.45 118.68 125.72 1wfz s LEU 27 Ca -0.02 -0.25 -0.03 0.00 -0.22 0.00 0.00 54.13 53.60 1wfz s LEU 27 Cb -0.20 -1.72 0.04 0.00 0.50 0.00 0.00 46.19 44.81 1wfz s LEU 27 CO -0.00 0.12 0.15 0.68 -1.32 0.00 0.00 176.35 175.98 1wfz s VAL 28 N 0.66 -0.20 0.47 1.68 -7.23 0.06 -4.98 120.40 110.86 1wfz s VAL 28 Ca -0.04 0.32 0.04 0.00 -1.81 0.00 0.00 61.98 60.49 1wfz s VAL 28 Cb -0.15 -0.27 -0.04 0.00 0.56 0.00 0.00 36.38 36.48 1wfz s VAL 28 CO 0.02 0.13 0.02 -0.83 -0.31 0.00 0.00 175.10 174.14 1wfz s GLY 29 N 2.02 2.79 -0.16 2.32 0.00 -1.26 -2.30 107.32 110.72 1wfz s GLY 29 Ca 0.00 -1.20 -0.06 0.00 0.00 0.00 0.00 44.72 43.46 1wfz s GLY 29 CO -0.06 -2.15 0.05 0.00 0.00 0.00 0.00 173.10 170.95 1wfz s ALA 30 N -2.80 3.40 0.03 3.20 0.00 -0.68 -4.88 121.76 120.04 1wfz s ALA 30 Ca 0.19 -0.75 -0.21 0.00 0.00 0.00 0.00 51.96 51.19 1wfz s ALA 30 Cb 0.05 -1.84 -0.15 0.00 0.00 0.00 0.00 23.12 21.18 1wfz s ALA 30 CO 0.10 0.27 1.34 -1.00 0.00 0.00 0.00 175.76 176.47 1wfz h PRO 31 N 6.34 0.32 0.07 0.00 0.13 -1.96 0.71 132.00 137.62 1wfz h PRO 31 Ca -0.40 -0.17 -0.00 0.00 -0.87 0.00 0.00 66.00 64.56 1wfz h PRO 31 Cb 1.18 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1wfz h PRO 31 CO 0.67 0.71 -0.04 0.00 -0.23 0.00 0.00 178.00 179.12 1wfz h ALA 32 N 0.60 -0.44 -0.67 -0.56 0.00 -2.00 -3.32 119.26 112.88 1wfz h ALA 32 Ca 0.02 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.98 1wfz h ALA 32 Cb 0.65 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 1wfz h ALA 32 CO 0.03 -0.43 0.44 0.00 0.00 0.00 0.00 179.25 179.29 1wfz n GLY 34 N -1.47 0.58 3.71 0.00 0.00 0.21 -4.90 105.19 103.33 1wfz n GLY 34 Ca 0.10 -0.28 -0.23 0.00 0.00 0.00 0.00 46.02 45.61 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 -3.08 4.85 -0.33 1.61 1.01 -1.03 -4.76 116.67 114.96 1wfz s ASP 35 Ca 0.03 -0.55 -0.01 0.00 0.71 0.00 0.00 52.55 52.73 1wfz s ASP 35 Cb -0.00 -0.99 0.11 0.00 1.01 0.00 0.00 42.92 43.05 1wfz s ASP 35 CO 0.07 -0.06 0.14 -0.69 0.21 0.00 0.00 175.17 174.84 1wfz s VAL 36 N -2.29 0.58 -0.47 -1.27 1.01 -0.80 -1.68 120.40 115.49 1wfz s VAL 36 Ca 0.33 -1.43 -0.12 0.00 0.00 0.00 0.00 61.98 60.76 1wfz s VAL 36 Cb -0.06 -1.44 0.09 0.00 0.00 0.00 0.00 36.38 34.97 1wfz s VAL 36 CO 0.22 -0.77 0.36 -0.32 0.00 0.00 0.00 175.10 174.59 1wfz s MET 37 N 1.50 2.75 -0.50 2.72 1.75 -0.98 -1.43 119.30 125.11 1wfz s MET 37 Ca 0.12 -1.54 -0.16 0.00 -1.25 0.00 0.00 55.69 52.86 1wfz s MET 37 Cb -0.19 -4.00 0.09 0.00 2.84 0.00 0.00 34.83 33.58 1wfz s MET 37 CO -0.21 -1.09 0.46 0.21 -0.65 0.00 0.00 175.02 173.74 1wfz s LYS 38 N 1.50 3.00 0.19 4.11 2.20 -0.40 -0.76 119.74 129.58 1wfz s LYS 38 Ca 0.04 -1.44 -0.06 0.00 -0.36 0.00 0.00 55.97 54.15 1wfz s LYS 38 Cb -0.25 -4.20 -0.06 0.00 -1.51 0.00 0.00 37.83 31.81 1wfz s LYS 38 CO 0.03 -1.17 0.45 -1.17 -0.36 0.00 0.00 175.35 173.12 1wfz s LEU 39 N 1.75 4.21 -0.22 5.43 2.96 0.17 -2.44 118.68 130.54 1wfz s LEU 39 Ca 0.05 0.68 -0.08 0.00 -0.22 0.00 0.00 54.13 54.55 1wfz s LEU 39 Cb -0.26 -3.43 0.09 0.00 0.50 0.00 0.00 46.19 43.10 1wfz s LEU 39 CO 0.06 -0.02 0.48 -1.10 -1.32 0.00 0.00 176.35 174.45 1wfz s GLN 40 N -2.87 0.40 -0.02 1.98 -0.21 -0.74 -0.44 119.66 117.77 1wfz s GLN 40 Ca 0.43 1.10 0.06 0.00 0.02 0.00 0.00 55.36 56.98 1wfz s GLN 40 Cb -0.12 0.39 -0.02 0.00 1.00 0.00 0.00 33.01 34.27 1wfz s GLN 40 CO 0.25 -0.22 -0.22 0.96 -2.12 0.00 0.00 175.29 173.94 1wfz s ILE 41 N 2.47 1.71 -0.32 1.08 -5.25 -1.17 -0.91 121.20 118.80 1wfz s ILE 41 Ca -0.04 -0.92 -0.12 0.00 -0.99 0.00 0.00 60.65 58.58 1wfz s ILE 41 Cb -0.11 -1.42 -0.03 0.00 2.95 0.00 0.00 42.46 43.85 1wfz s ILE 41 CO -0.14 0.48 0.23 -1.58 -1.79 0.00 0.00 174.94 172.14 1wfz s GLN 42 N -0.46 3.63 -0.08 0.37 0.74 0.29 -1.98 119.66 122.17 1wfz s GLN 42 Ca 0.07 -0.54 -0.14 0.00 0.05 0.00 0.00 55.36 54.79 1wfz s GLN 42 Cb -0.09 -3.77 -0.05 0.00 1.10 0.00 0.00 33.01 30.21 1wfz s GLN 42 CO -0.00 -0.37 0.36 0.08 -0.55 0.00 0.00 175.29 174.80 1wfz s VAL 43 N 1.74 5.18 0.44 1.34 1.01 0.11 -1.62 120.40 128.60 1wfz s VAL 43 Ca 0.06 0.70 -0.01 0.00 0.00 0.00 0.00 61.98 62.74 1wfz s VAL 43 Cb -0.17 -3.67 0.09 0.00 0.00 0.00 0.00 36.38 32.63 1wfz s VAL 43 CO 0.11 0.49 0.60 -0.90 0.00 0.00 0.00 175.10 175.40 1wfz n ASP 44 N 2.60 0.74 -0.33 3.32 5.75 -1.12 -4.65 116.55 122.86 1wfz n ASP 44 Ca -0.13 -1.64 -0.03 0.00 -0.01 0.00 0.00 54.79 52.98 1wfz n ASP 44 Cb 0.52 -0.40 0.09 0.00 -1.03 0.00 0.00 41.12 40.30 1wfz n ASP 44 CO 0.00 0.00 0.00 1.05 -0.11 0.00 0.00 177.20 178.14 1wfz h GLU 45 N 0.00 1.15 0.00 0.11 4.11 -1.99 -1.08 114.58 116.89 1wfz h GLU 45 Ca -0.20 -0.07 -0.02 0.00 0.07 0.00 0.00 59.36 59.15 1wfz h GLU 45 Cb 0.72 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 1wfz h GLU 45 CO 0.21 0.76 -0.08 0.87 0.07 0.00 0.00 179.01 180.84 1wfz h LYS 46 N 1.19 0.00 0.00 1.06 1.57 -2.04 -3.46 116.57 114.89 1wfz h LYS 46 Ca 0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 1wfz h LYS 46 Cb -0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.18 1wfz h LYS 46 CO -0.07 0.08 0.00 0.41 -0.57 0.00 0.00 179.45 179.30 1wfz n GLY 47 N -0.35 0.87 3.71 3.86 0.00 -0.41 -5.08 105.19 107.79 1wfz n GLY 47 Ca -0.01 -0.18 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.55 3.72 -0.21 1.61 2.36 -1.26 -3.27 119.74 122.15 1wfz s LYS 48 Ca 0.00 -0.29 -0.29 0.00 -2.55 0.00 0.00 55.97 52.84 1wfz s LYS 48 Cb 0.00 -3.17 -0.04 0.00 -1.05 0.00 0.00 37.83 33.57 1wfz s LYS 48 CO 0.00 0.46 1.91 0.42 1.55 0.00 0.00 175.35 179.69 1wfz s ILE 49 N -0.15 3.32 -0.18 5.43 1.01 0.13 -2.79 121.20 127.97 1wfz s ILE 49 Ca 0.08 0.35 0.11 0.00 0.00 0.00 0.00 60.65 61.19 1wfz s ILE 49 Cb -0.12 -3.37 -0.23 0.00 0.01 0.00 0.00 42.46 38.75 1wfz s ILE 49 CO 0.01 -0.19 0.15 1.33 0.00 0.00 0.00 174.94 176.24 1wfz n VAL 50 N 6.98 1.49 -4.89 2.92 0.24 -0.64 -2.29 118.33 122.14 1wfz n VAL 50 Ca 0.24 -0.76 -0.26 0.00 -2.04 0.00 0.00 64.34 61.52 1wfz n VAL 50 Cb 0.45 -0.92 -0.16 0.00 -1.47 0.00 0.00 33.84 31.74 1wfz n VAL 50 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1wfz s ASP 51 N -6.00 2.20 -0.02 -1.34 -1.08 -1.22 -4.84 116.67 104.37 1wfz s ASP 51 Ca -0.16 -0.35 -0.00 0.00 -0.52 0.00 0.00 52.55 51.52 1wfz s ASP 51 Cb 0.07 -0.38 0.03 0.00 -1.46 0.00 0.00 42.92 41.18 1wfz s ASP 51 CO 0.77 0.20 0.03 0.00 0.52 0.00 0.00 175.17 176.70 1wfz s ALA 52 N -0.27 0.09 0.05 3.66 0.00 -1.26 -0.55 121.76 123.47 1wfz s ALA 52 Ca 0.03 0.31 0.04 0.00 0.00 0.00 0.00 51.96 52.34 1wfz s ALA 52 Cb -0.09 -0.27 -0.02 0.00 0.00 0.00 0.00 23.12 22.74 1wfz s ALA 52 CO 0.00 -0.13 -0.11 1.03 0.00 0.00 0.00 175.76 176.55 1wfz s ARG 53 N 1.13 0.71 -0.06 0.00 0.52 -0.09 -4.95 118.95 116.21 1wfz s ARG 53 Ca -0.08 -0.80 -0.03 0.00 -0.52 0.00 0.00 55.73 54.30 1wfz s ARG 53 Cb -0.13 -0.63 0.04 0.00 0.52 0.00 0.00 34.95 34.75 1wfz s ARG 53 CO -0.03 0.14 0.13 -0.59 0.02 0.00 0.00 175.30 174.97 1wfz s PHE 54 N -1.17 -0.15 -0.31 -0.53 -0.71 -1.26 -1.79 117.98 112.07 1wfz s PHE 54 Ca -0.04 0.44 -0.02 0.00 -1.04 0.00 0.00 56.93 56.28 1wfz s PHE 54 Cb -0.09 -0.09 0.10 0.00 -1.21 0.00 0.00 43.02 41.73 1wfz s PHE 54 CO 0.01 -0.15 0.11 0.21 -1.34 0.00 0.00 175.22 174.06 1wfz s LYS 55 N 1.08 0.56 0.06 1.99 2.47 -1.02 -4.64 119.74 120.24 1wfz s LYS 55 Ca -0.08 -0.93 0.01 0.00 -1.56 0.00 0.00 55.97 53.41 1wfz s LYS 55 Cb -0.11 -1.72 -0.04 0.00 -1.46 0.00 0.00 37.83 34.50 1wfz s LYS 55 CO -0.05 -1.01 0.15 0.99 0.16 0.00 0.00 175.35 175.60 1wfz s THR 56 N 1.73 5.05 -0.22 3.43 2.01 -1.25 -1.28 115.64 125.11 1wfz s THR 56 Ca 0.10 -0.51 -0.03 0.00 0.31 0.00 0.00 61.69 61.57 1wfz s THR 56 Cb -0.17 -3.44 0.07 0.00 0.01 0.00 0.00 72.50 68.97 1wfz s THR 56 CO -0.28 0.16 0.05 -0.36 -0.69 0.00 0.00 174.62 173.50 1wfz s PHE 57 N -1.44 1.11 0.00 4.92 0.08 -0.51 -4.91 117.98 117.23 1wfz s PHE 57 Ca 0.32 -1.01 0.00 0.00 0.12 0.00 0.00 56.93 56.36 1wfz s PHE 57 Cb -0.13 -1.13 0.00 0.00 -0.57 0.00 0.00 43.02 41.19 1wfz s PHE 57 CO 0.24 -0.67 0.00 0.41 -0.10 0.00 0.00 175.22 175.11 1wfz n GLY 58 N 5.03 0.17 3.74 4.36 0.00 -1.26 -1.91 105.19 115.31 1wfz n GLY 58 Ca -0.08 -0.87 -0.36 0.00 0.00 0.00 0.00 46.02 44.70 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 0.69 -0.48 -1.23 0.00 0.00 -1.92 -2.68 103.07 97.46 1wfz h GLY 60 Ca -0.51 0.18 0.39 0.00 0.00 0.00 0.00 47.33 47.40 1wfz h GLY 60 CO 0.54 -0.18 0.83 1.44 0.00 0.00 0.00 176.54 179.18 1wfz n SER 61 N -5.27 0.10 -0.03 0.19 7.64 -1.26 0.16 113.62 115.16 1wfz n SER 61 Ca -0.10 0.95 -0.13 0.00 1.01 0.00 0.00 58.87 60.60 1wfz n SER 61 Cb 0.22 -0.47 -0.10 0.00 -1.01 0.00 0.00 64.21 62.84 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 1.05 -0.04 -0.73 -0.43 0.00 -1.83 -2.87 119.26 114.42 1wfz h ALA 62 Ca 0.69 -0.34 0.06 0.00 0.00 0.00 0.00 54.91 55.32 1wfz h ALA 62 Cb 2.45 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 20.20 1wfz h ALA 62 CO -0.23 -0.14 0.43 0.82 0.00 0.00 0.00 179.25 180.12 1wfz h ILE 63 N -0.79 1.01 0.10 0.00 2.04 0.16 -2.56 117.51 117.47 1wfz h ILE 63 Ca -0.00 -0.27 -0.00 0.00 1.00 0.00 0.00 64.86 65.58 1wfz h ILE 63 Cb 0.70 0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.93 1wfz h ILE 63 CO 0.01 0.14 -0.05 0.00 0.00 0.00 0.00 178.15 178.25 1wfz h ALA 64 N 1.36 -1.02 -0.88 1.87 0.00 -1.12 0.15 119.26 119.62 1wfz h ALA 64 Ca 0.32 -0.03 0.31 0.00 0.00 0.00 0.00 54.91 55.51 1wfz h ALA 64 Cb 0.16 0.07 -0.16 0.00 0.00 0.00 0.00 17.79 17.86 1wfz h ALA 64 CO -0.17 -1.01 0.26 0.43 0.00 0.00 0.00 179.25 178.76 1wfz n SER 65 N -2.39 0.12 -0.07 0.00 7.64 -1.08 0.15 113.62 117.98 1wfz n SER 65 Ca -0.02 1.47 -0.12 0.00 1.01 0.00 0.00 58.87 61.21 1wfz n SER 65 Cb 0.05 -0.63 -0.05 0.00 -1.01 0.00 0.00 64.21 62.57 1wfz n SER 65 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1wfz h SER 66 N 0.00 0.45 -0.59 6.43 0.02 -1.30 0.12 113.55 118.68 1wfz h SER 66 Ca 0.65 -0.40 0.16 0.00 -0.84 0.00 0.00 61.79 61.35 1wfz h SER 66 Cb 1.57 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 63.96 1wfz h SER 66 CO -0.74 0.76 0.42 -1.28 -1.14 0.00 0.00 176.83 174.84 1wfz h SER 67 N 0.15 0.07 0.30 3.07 0.87 0.34 0.26 113.55 118.60 1wfz h SER 67 Ca 0.05 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 60.28 1wfz h SER 67 Cb 0.58 -0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.50 1wfz h SER 67 CO 0.03 0.04 -1.85 0.25 -0.53 0.00 0.00 176.83 174.77 1wfz h LEU 68 N 0.07 0.24 0.21 2.23 6.46 -1.07 -3.29 115.31 120.16 1wfz h LEU 68 Ca 0.28 -0.53 -0.01 0.00 -0.12 0.00 0.00 57.88 57.50 1wfz h LEU 68 Cb 1.02 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 40.88 1wfz h LEU 68 CO -0.02 1.48 -0.10 0.00 -0.62 0.00 0.00 178.44 179.17 1wfz h ALA 69 N 0.49 -0.28 0.00 1.25 0.00 0.49 -2.22 119.26 118.98 1wfz h ALA 69 Ca -0.36 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.38 1wfz h ALA 69 Cb 2.03 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.93 1wfz h ALA 69 CO 0.09 -0.50 -0.00 0.00 0.00 0.00 0.00 179.25 178.83 1wfz h THR 70 N -0.60 0.11 0.00 0.00 1.03 -0.74 0.12 112.91 112.83 1wfz h THR 70 Ca -0.03 -0.03 0.00 0.00 -0.01 0.00 0.00 66.41 66.34 1wfz h THR 70 Cb 0.44 1.03 0.00 0.00 -1.07 0.00 0.00 68.15 68.54 1wfz h THR 70 CO 0.05 0.00 -0.53 1.21 -0.01 0.00 0.00 175.52 176.24 1wfz n GLU 71 N -3.24 0.24 0.03 0.00 2.13 -1.08 -3.73 120.64 115.00 1wfz n GLU 71 Ca -0.03 0.08 -0.17 0.00 0.66 0.00 0.00 57.16 57.71 1wfz n GLU 71 Cb 0.08 -1.67 -0.14 0.00 0.27 0.00 0.00 31.44 29.99 1wfz n GLU 71 CO 0.00 0.00 0.00 -1.49 -0.41 0.00 0.00 177.13 175.23 1wfz h TRP 72 N 0.00 0.40 0.00 4.31 4.06 -0.16 -3.33 115.95 121.24 1wfz h TRP 72 Ca 0.00 -0.29 -0.06 0.00 2.06 0.00 0.00 58.89 60.59 1wfz h TRP 72 Cb 0.71 -0.02 -0.01 0.00 -1.00 0.00 0.00 29.16 28.84 1wfz h TRP 72 CO 0.00 1.45 -0.30 -0.39 -3.56 0.00 0.00 178.44 175.64 1wfz h VAL 73 N 0.06 0.99 -2.37 1.49 -1.51 -1.58 -3.41 116.25 109.92 1wfz h VAL 73 Ca -0.31 -1.12 -0.57 0.00 -1.23 0.00 0.00 66.70 63.47 1wfz h VAL 73 Cb 2.03 1.65 0.06 0.00 -2.13 0.00 0.00 31.29 32.89 1wfz h VAL 73 CO 0.13 0.30 0.84 0.29 -1.23 0.00 0.00 177.57 177.90 1wfz n LYS 74 N -3.85 2.30 0.00 5.19 5.02 -1.24 -0.96 118.16 124.60 1wfz n LYS 74 Ca -0.01 0.83 0.00 0.00 -2.02 0.00 0.00 58.31 57.10 1wfz n LYS 74 Cb 0.38 -2.61 0.00 0.00 -0.02 0.00 0.00 35.03 32.78 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 3.52 2.94 3.96 0.72 0.00 -0.97 -4.99 105.19 110.37 1wfz n GLY 75 Ca 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.14 1.82 0.08 1.61 1.02 -0.14 -4.78 119.74 119.21 1wfz s LYS 76 Ca 0.00 -0.65 0.04 0.00 0.02 0.00 0.00 55.97 55.39 1wfz s LYS 76 Cb 0.00 -2.22 -0.04 0.00 -0.52 0.00 0.00 37.83 35.05 1wfz s LYS 76 CO 0.00 -1.42 0.01 0.95 -0.92 0.00 0.00 175.35 173.97 1wfz s THR 77 N -3.25 4.13 0.30 2.17 -4.23 -1.26 -0.70 115.64 112.80 1wfz s THR 77 Ca 0.64 -0.91 0.07 0.00 -1.18 0.00 0.00 61.69 60.30 1wfz s THR 77 Cb -0.08 -2.96 0.36 0.00 1.34 0.00 0.00 72.50 71.17 1wfz s THR 77 CO 0.45 0.14 1.42 1.33 -0.54 0.00 0.00 174.62 177.42 1wfz n VAL 78 N 0.62 -0.38 -0.22 2.29 0.24 -1.20 0.16 118.33 119.85 1wfz n VAL 78 Ca -0.11 1.94 -0.04 0.00 -2.04 0.00 0.00 64.34 64.10 1wfz n VAL 78 Cb 0.52 -2.92 0.07 0.00 -1.47 0.00 0.00 33.84 30.04 1wfz n VAL 78 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 1wfz h GLU 79 N 0.00 0.70 0.29 7.34 5.08 -1.94 -2.07 114.58 123.97 1wfz h GLU 79 Ca 0.61 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.91 1wfz h GLU 79 Cb 1.38 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1wfz h GLU 79 CO -0.80 0.46 -0.14 0.93 -1.00 0.00 0.00 179.01 178.46 1wfz h GLU 80 N 0.72 -0.38 -1.01 2.33 4.39 0.12 -2.89 114.58 117.86 1wfz h GLU 80 Ca 0.26 0.03 0.24 0.00 0.34 0.00 0.00 59.36 60.22 1wfz h GLU 80 Cb 0.07 0.09 -0.12 0.00 -0.10 0.00 0.00 28.75 28.69 1wfz h GLU 80 CO -0.13 -0.15 0.60 0.00 -1.16 0.00 0.00 179.01 178.17 1wfz h ALA 81 N 0.11 1.80 -0.42 3.43 0.00 -1.08 0.45 119.26 123.55 1wfz h ALA 81 Ca -0.04 0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.05 1wfz h ALA 81 Cb 0.40 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1wfz h ALA 81 CO 0.07 -0.25 0.28 -0.07 0.00 0.00 0.00 179.25 179.28 1wfz h LEU 82 N 0.60 0.26 -0.92 0.00 -0.00 -1.16 0.33 115.31 114.41 1wfz h LEU 82 Ca 0.63 0.00 -0.07 0.00 -0.00 0.00 0.00 57.88 58.44 1wfz h LEU 82 Cb 1.19 -0.05 -0.01 0.00 -0.00 0.00 0.00 40.66 41.78 1wfz h LEU 82 CO -0.45 0.17 -0.35 0.71 -0.00 0.00 0.00 178.44 178.52 1wfz h THR 83 N 0.29 0.81 -1.83 0.22 1.35 -0.06 -3.45 112.91 110.24 1wfz h THR 83 Ca 0.19 -1.47 -0.67 0.00 -0.55 0.00 0.00 66.41 63.91 1wfz h THR 83 Cb 0.36 1.92 0.03 0.00 -1.73 0.00 0.00 68.15 68.73 1wfz h THR 83 CO -0.04 0.34 0.91 -0.38 -0.25 0.00 0.00 175.52 176.11 1wfz n ILE 84 N -3.49 0.34 -4.00 6.82 5.41 0.10 -4.96 119.36 119.58 1wfz n ILE 84 Ca -0.00 -0.06 -0.24 0.00 1.00 0.00 0.00 62.75 63.44 1wfz n ILE 84 Cb 0.50 -1.46 -0.03 0.00 -0.71 0.00 0.00 39.64 37.94 1wfz n ILE 84 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 176.55 174.96 1wfz s LYS 85 N 3.07 3.26 0.15 0.38 0.00 -1.26 -4.95 119.74 120.39 1wfz s LYS 85 Ca 0.92 -0.75 0.04 0.00 0.00 0.00 0.00 55.97 56.18 1wfz s LYS 85 Cb -0.86 -2.83 -0.07 0.00 0.00 0.00 0.00 37.83 34.07 1wfz s LYS 85 CO 0.55 0.48 1.34 -2.95 0.00 0.00 0.00 175.35 174.77 1wfz h ASN 86 N 1.90 0.16 -0.65 0.03 7.08 -1.93 -3.28 115.58 118.90 1wfz h ASN 86 Ca -0.49 -0.14 0.04 0.00 -3.08 0.00 0.00 56.30 52.62 1wfz h ASN 86 Cb 1.21 -0.05 -0.04 0.00 -2.08 0.00 0.00 38.32 37.35 1wfz h ASN 86 CO 0.65 1.00 0.39 0.00 -2.08 0.00 0.00 177.43 177.39 1wfz h THR 87 N 0.05 1.05 -0.27 6.14 1.03 -1.95 -1.98 112.91 116.99 1wfz h THR 87 Ca -0.04 -0.26 0.04 0.00 -0.01 0.00 0.00 66.41 66.14 1wfz h THR 87 Cb 1.60 0.23 -0.04 0.00 -1.07 0.00 0.00 68.15 68.88 1wfz h THR 87 CO 0.13 0.14 0.03 0.44 -0.01 0.00 0.00 175.52 176.25 1wfz h ASP 88 N 0.75 -0.04 0.53 0.00 5.19 -1.99 -2.84 116.42 118.02 1wfz h ASP 88 Ca 0.27 0.05 -0.02 0.00 -0.62 0.00 0.00 57.03 56.70 1wfz h ASP 88 Cb 0.06 0.08 -0.00 0.00 0.18 0.00 0.00 39.33 39.65 1wfz h ASP 88 CO -0.12 0.01 -0.32 0.40 -3.12 0.00 0.00 179.24 176.09 1wfz h ILE 89 N 0.12 0.00 -0.98 0.35 2.04 -1.56 -1.98 117.51 115.50 1wfz h ILE 89 Ca 0.13 0.00 0.37 0.00 1.00 0.00 0.00 64.86 66.35 1wfz h ILE 89 Cb 0.15 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.10 1wfz h ILE 89 CO -0.19 0.00 0.59 0.00 0.00 0.00 0.00 178.15 178.56 1wfz n ALA 90 N -2.51 0.98 0.16 1.87 0.00 -0.78 0.28 120.51 120.51 1wfz n ALA 90 Ca -0.10 0.75 -0.10 0.00 0.00 0.00 0.00 53.44 54.00 1wfz n ALA 90 Cb 0.33 -0.84 -0.05 0.00 0.00 0.00 0.00 19.45 18.89 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 -0.45 -0.94 0.00 3.64 -1.21 0.38 116.57 117.99 1wfz h LYS 91 Ca 0.70 0.03 0.28 0.00 -1.27 0.00 0.00 60.65 60.39 1wfz h LYS 91 Cb 2.08 0.10 -0.15 0.00 -0.41 0.00 0.00 32.23 33.86 1wfz h LYS 91 CO -0.48 -0.20 0.36 0.93 -2.27 0.00 0.00 179.45 177.79 1wfz h GLU 92 N -1.05 0.21 0.00 1.90 4.39 0.57 0.96 114.58 121.56 1wfz h GLU 92 Ca -0.05 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.64 1wfz h GLU 92 Cb 0.47 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 1wfz h GLU 92 CO 0.08 0.14 -0.66 -0.07 -1.16 0.00 0.00 179.01 177.34 1wfz h LEU 93 N 0.22 0.00 -1.09 1.33 4.07 -1.30 -3.48 115.31 115.05 1wfz h LEU 93 Ca 0.64 -0.07 -0.44 0.00 0.08 0.00 0.00 57.88 58.09 1wfz h LEU 93 Cb 1.40 0.00 0.03 0.00 1.08 0.00 0.00 40.66 43.17 1wfz h LEU 93 CO -0.67 0.04 -0.75 0.00 -1.08 0.00 0.00 178.44 175.98 1wfz s LEU 95 N -7.16 3.67 1.02 0.00 0.05 -0.80 -5.02 118.68 110.43 1wfz s LEU 95 Ca 0.52 1.86 -0.13 0.00 0.05 0.00 0.00 54.13 56.43 1wfz s LEU 95 Cb -0.25 -4.54 0.20 0.00 -2.05 0.00 0.00 46.19 39.54 1wfz s LEU 95 CO 0.80 -0.95 1.09 -2.16 -0.55 0.00 0.00 176.35 174.58 1wfz s PRO 96 N -3.67 0.29 0.20 1.48 0.04 -1.26 -4.93 135.00 127.15 1wfz s PRO 96 Ca 0.65 0.47 0.21 0.00 0.04 0.00 0.00 61.00 62.38 1wfz s PRO 96 Cb -0.16 -1.72 0.90 0.00 0.04 0.00 0.00 34.50 33.56 1wfz s PRO 96 CO 0.28 -2.82 1.65 -0.35 0.04 0.00 0.00 177.00 175.81 1wfz n PRO 97 N -4.23 0.15 0.03 0.56 -0.04 -1.26 -2.52 135.00 127.69 1wfz n PRO 97 Ca 0.05 0.39 -0.09 0.00 -0.04 0.00 0.00 63.50 63.81 1wfz n PRO 97 Cb 0.57 -1.79 -0.13 0.00 -0.04 0.00 0.00 33.50 32.11 1wfz n PRO 97 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 1wfz h VAL 98 N 0.00 1.28 -0.80 0.52 3.04 -2.04 -3.30 116.25 114.95 1wfz h VAL 98 Ca 0.00 -3.04 -0.34 0.00 -1.01 0.00 0.00 66.70 62.31 1wfz h VAL 98 Cb 0.33 2.66 -0.20 0.00 -2.01 0.00 0.00 31.29 32.07 1wfz h VAL 98 CO 0.00 0.76 0.43 0.29 -1.01 0.00 0.00 177.57 178.04 1wfz n LYS 99 N -3.25 2.83 -0.07 4.17 4.76 -1.05 -4.48 118.16 121.07 1wfz n LYS 99 Ca -0.09 -2.77 -0.12 0.00 -2.87 0.00 0.00 58.31 52.45 1wfz n LYS 99 Cb 1.00 -2.11 -0.05 0.00 -1.84 0.00 0.00 35.03 32.03 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 1.75 0.39 -1.64 -0.35 3.38 -1.64 -2.98 115.31 114.22 1wfz h LEU 100 Ca 0.42 -0.36 0.50 0.00 0.09 0.00 0.00 57.88 58.52 1wfz h LEU 100 Cb 2.47 -0.11 -0.09 0.00 0.09 0.00 0.00 40.66 43.02 1wfz h LEU 100 CO 0.85 0.66 1.15 0.00 0.09 0.00 0.00 178.44 181.19 1wfz n HIS 101 N -4.63 0.20 -0.04 1.13 1.44 -1.26 0.18 115.22 112.24 1wfz n HIS 101 Ca -0.05 0.20 -0.14 0.00 -2.01 0.00 0.00 57.72 55.73 1wfz n HIS 101 Cb 0.28 -0.64 -0.09 0.00 0.12 0.00 0.00 29.99 29.65 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 -0.23 -1.80 -0.57 0.00 4.64 0.17 0.32 113.55 116.09 1wfz h SER 103 Ca -0.00 0.24 -0.04 0.00 -0.47 0.00 0.00 61.79 61.52 1wfz h SER 103 Cb 0.78 0.75 -0.03 0.00 -0.31 0.00 0.00 62.40 63.59 1wfz h SER 103 CO 0.04 -0.39 0.21 0.00 -0.87 0.00 0.00 176.83 175.82 1wfz h MET 104 N -0.37 0.91 -0.86 4.77 -0.00 -1.63 -2.44 114.93 115.31 1wfz h MET 104 Ca 0.09 -0.16 0.16 0.00 -0.00 0.00 0.00 59.70 59.79 1wfz h MET 104 Cb 0.59 -0.15 -0.07 0.00 -0.00 0.00 0.00 31.60 31.97 1wfz h MET 104 CO -0.61 0.77 0.56 1.25 -0.00 0.00 0.00 176.91 178.88 1wfz h LEU 105 N 0.89 0.55 -0.46 -0.10 5.85 -0.36 0.20 115.31 121.87 1wfz h LEU 105 Ca 0.20 0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.91 1wfz h LEU 105 Cb 0.22 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 1wfz h LEU 105 CO -0.01 0.26 0.07 0.00 -0.34 0.00 0.00 178.44 178.42 1wfz h ALA 106 N 1.61 0.62 0.20 1.25 0.00 -0.65 -2.48 119.26 119.80 1wfz h ALA 106 Ca 0.44 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1wfz h ALA 106 Cb 0.85 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1wfz h ALA 106 CO -0.19 0.34 -0.09 1.49 0.00 0.00 0.00 179.25 180.80 1wfz h GLU 107 N 0.64 -0.26 -1.17 0.00 4.81 -1.13 -3.00 114.58 114.47 1wfz h GLU 107 Ca 0.14 0.02 0.34 0.00 -0.13 0.00 0.00 59.36 59.72 1wfz h GLU 107 Cb 0.39 0.06 -0.10 0.00 0.63 0.00 0.00 28.75 29.73 1wfz h GLU 107 CO 0.01 0.14 0.77 -0.44 -0.73 0.00 0.00 179.01 178.76 1wfz h ASP 108 N -0.86 0.31 -0.26 1.04 3.32 -0.74 0.33 116.42 119.57 1wfz h ASP 108 Ca -0.03 0.09 -0.07 0.00 0.02 0.00 0.00 57.03 57.04 1wfz h ASP 108 Cb 0.51 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 1wfz h ASP 108 CO 0.04 -0.01 -0.13 0.00 -1.72 0.00 0.00 179.24 177.42 1wfz h ALA 109 N 1.58 0.36 0.57 3.45 0.00 -1.44 -2.61 119.26 121.17 1wfz h ALA 109 Ca 0.67 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 55.24 1wfz h ALA 109 Cb 2.00 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.70 1wfz h ALA 109 CO -0.30 0.23 -0.33 0.82 0.00 0.00 0.00 179.25 179.68 1wfz h ILE 110 N 0.27 0.00 -0.63 0.00 2.04 -0.22 -2.35 117.51 116.62 1wfz h ILE 110 Ca 0.06 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.04 1wfz h ILE 110 Cb 0.64 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.60 1wfz h ILE 110 CO 0.04 0.00 -0.25 0.11 0.00 0.00 0.00 178.15 178.05 1wfz h LYS 111 N -0.84 -0.08 -1.01 2.37 6.56 -1.49 0.30 116.57 122.37 1wfz h LYS 111 Ca -0.08 0.01 0.24 0.00 -1.06 0.00 0.00 60.65 59.75 1wfz h LYS 111 Cb 0.67 0.02 -0.11 0.00 -0.57 0.00 0.00 32.23 32.24 1wfz h LYS 111 CO 0.09 -0.06 0.62 0.00 -2.06 0.00 0.00 179.45 178.04 1wfz h ALA 112 N 1.33 1.87 0.04 3.86 0.00 -1.38 -0.53 119.26 124.46 1wfz h ALA 112 Ca 0.28 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.28 1wfz h ALA 112 Cb 0.53 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1wfz h ALA 112 CO -0.68 -0.30 -0.02 0.00 0.00 0.00 0.00 179.25 178.24 1wfz h ALA 113 N 1.68 -0.89 -0.64 0.00 0.00 0.15 -1.69 119.26 117.87 1wfz h ALA 113 Ca 0.61 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.62 1wfz h ALA 113 Cb 1.21 0.02 -0.12 0.00 0.00 0.00 0.00 17.79 18.90 1wfz h ALA 113 CO -0.40 -0.88 -0.33 -0.07 0.00 0.00 0.00 179.25 177.56 1wfz h LEU 114 N -0.06 -1.15 -0.08 0.00 -0.00 -1.17 -1.45 115.31 111.40 1wfz h LEU 114 Ca -0.01 0.24 0.02 0.00 -0.00 0.00 0.00 57.88 58.13 1wfz h LEU 114 Cb 0.04 0.59 -0.03 0.00 -0.00 0.00 0.00 40.66 41.26 1wfz h LEU 114 CO 0.01 -0.30 -0.27 0.00 -0.00 0.00 0.00 178.44 177.88 1wfz h ALA 115 N 1.09 -0.66 -0.86 1.53 0.00 -1.16 0.13 119.26 119.33 1wfz h ALA 115 Ca 0.25 -0.03 0.18 0.00 0.00 0.00 0.00 54.91 55.32 1wfz h ALA 115 Cb 0.55 0.80 -0.16 0.00 0.00 0.00 0.00 17.79 18.99 1wfz h ALA 115 CO -0.72 -0.76 -0.16 0.22 0.00 0.00 0.00 179.25 177.84 1wfz h ASP 116 N -0.29 -0.70 -0.44 0.00 1.82 -0.66 0.34 116.42 116.49 1wfz h ASP 116 Ca 0.02 0.25 0.05 0.00 -0.39 0.00 0.00 57.03 56.96 1wfz h ASP 116 Cb 0.34 0.50 -0.04 0.00 0.68 0.00 0.00 39.33 40.80 1wfz h ASP 116 CO -0.22 -0.28 0.18 0.22 -1.61 0.00 0.00 179.24 177.53 1wfz h TYR 117 N 0.01 0.32 -0.31 0.28 3.20 -0.43 -2.48 116.97 117.57 1wfz h TYR 117 Ca 0.43 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.32 1wfz h TYR 117 Cb 0.70 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.88 1wfz h TYR 117 CO -0.62 0.14 0.20 0.87 -1.64 0.00 0.00 178.16 177.11 1wfz h LYS 118 N 0.37 0.40 -0.88 1.82 1.57 0.15 -2.62 116.57 117.38 1wfz h LYS 118 Ca 0.20 -0.03 0.24 0.00 -1.87 0.00 0.00 60.65 59.19 1wfz h LYS 118 Cb 0.16 -0.09 -0.15 0.00 0.08 0.00 0.00 32.23 32.23 1wfz h LYS 118 CO -0.18 0.27 0.17 -0.07 -0.57 0.00 0.00 179.45 179.08 1wfz h LEU 119 N 0.41 -0.13 -1.49 2.94 3.38 -0.51 1.36 115.31 121.28 1wfz h LEU 119 Ca 0.11 0.21 -0.05 0.00 0.09 0.00 0.00 57.88 58.24 1wfz h LEU 119 Cb -0.04 0.32 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1wfz h LEU 119 CO -0.02 -0.21 -0.25 0.11 0.09 0.00 0.00 178.44 178.16 1wfz h LYS 120 N 0.15 0.00 -0.00 1.13 1.57 -1.33 0.24 116.57 118.33 1wfz h LYS 120 Ca 0.55 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 59.15 1wfz h LYS 120 Cb 1.12 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.41 1wfz h LYS 120 CO -0.71 0.25 -0.81 1.96 -0.57 0.00 0.00 179.45 179.57 1wfz h GLN 121 N 0.00 0.08 0.04 3.15 1.08 0.19 -3.28 115.11 116.37 1wfz h GLN 121 Ca -0.00 -0.09 -0.30 0.00 -1.45 0.00 0.00 58.65 56.81 1wfz h GLN 121 Cb 0.54 0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 27.96 1wfz h GLN 121 CO 0.03 0.85 -1.70 1.05 -0.95 0.00 0.00 178.83 178.12 1wfz h GLU 122 N 0.05 0.08 -4.08 1.46 4.11 -0.63 -3.49 114.58 112.08 1wfz h GLU 122 Ca -0.02 -0.14 -0.14 0.00 0.07 0.00 0.00 59.36 59.13 1wfz h GLU 122 Cb 1.42 0.05 -0.13 0.00 0.50 0.00 0.00 28.75 30.60 1wfz h GLU 122 CO 0.11 0.75 -0.40 0.45 0.07 0.00 0.00 179.01 179.99 1wfz s SER 123 N -6.43 0.08 0.00 3.06 0.15 0.79 -5.08 113.70 106.28 1wfz s SER 123 Ca -0.08 -1.05 0.00 0.00 0.70 0.00 0.00 55.95 55.52 1wfz s SER 123 Cb 0.08 0.43 0.00 0.00 -1.71 0.00 0.00 66.02 64.82 1wfz s SER 123 CO 0.82 -0.91 0.00 1.17 1.20 0.00 0.00 173.24 175.52 1wfz n LYS 124 N -0.24 0.00 -3.05 5.44 3.00 -1.26 -3.73 118.16 118.32 1wfz n LYS 124 Ca -0.04 0.00 -0.44 0.00 -0.00 0.00 0.00 58.31 57.83 1wfz n LYS 124 Cb 0.64 -0.50 -0.00 0.00 0.00 0.00 0.00 35.03 35.16 1wfz n LYS 124 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 1wfz s SER 125 N -3.98 7.07 0.15 3.14 1.04 -1.26 -5.01 113.70 114.84 1wfz s SER 125 Ca 0.00 -3.01 -0.21 0.00 0.48 0.00 0.00 55.95 53.20 1wfz s SER 125 Cb 0.00 -2.35 -0.08 0.00 0.10 0.00 0.00 66.02 63.70 1wfz s SER 125 CO 0.00 -0.67 0.68 -0.83 0.98 0.00 0.00 173.24 173.40 1wfz s GLY 126 N 2.55 2.73 0.00 7.32 0.00 -1.26 -4.95 107.32 113.70 1wfz s GLY 126 Ca 0.38 0.17 0.14 0.00 0.00 0.00 0.00 44.72 45.41 1wfz s GLY 126 CO -0.03 0.60 1.45 -1.55 0.00 0.00 0.00 173.10 173.56 1wfz n PRO 127 N 1.37 0.02 -1.67 2.90 -0.04 -1.26 -4.81 135.00 131.52 1wfz n PRO 127 Ca -0.06 0.24 -0.47 0.00 -0.04 0.00 0.00 63.50 63.17 1wfz n PRO 127 Cb 0.50 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.42 1wfz n PRO 127 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wfz n SER 128 N -1.48 3.08 -4.60 3.54 2.88 -1.26 -4.98 113.62 110.80 1wfz n SER 128 Ca 0.04 1.06 -0.29 0.00 -1.33 0.00 0.00 58.87 58.35 1wfz n SER 128 Cb 0.16 -1.39 -0.09 0.00 -0.75 0.00 0.00 64.21 62.14 1wfz n SER 128 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wfz s SER 129 N 1.69 4.50 0.00 -3.46 0.01 -1.26 -5.22 113.70 109.97 1wfz s SER 129 Ca 0.83 -0.41 0.00 0.00 1.31 0.00 0.00 55.95 57.68 1wfz s SER 129 Cb -0.71 -0.88 0.00 0.00 0.21 0.00 0.00 66.02 64.64 1wfz s SER 129 CO 0.42 0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.83