#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfy s SER 2 N 0.00 -0.05 -0.14 1.61 0.01 -1.26 -5.19 113.70 108.68 1wfy s SER 2 Ca 0.00 -0.08 -0.34 0.00 1.31 0.00 0.00 55.95 56.84 1wfy s SER 2 Cb 0.00 0.11 0.15 0.00 0.21 0.00 0.00 66.02 66.49 1wfy s SER 2 CO 0.00 -0.20 1.44 -0.94 0.41 0.00 0.00 173.24 173.94 1wfy s SER 3 N -2.79 -0.00 0.00 2.44 1.04 -1.26 -5.15 113.70 107.98 1wfy s SER 3 Ca 0.13 -0.00 0.00 0.00 0.48 0.00 0.00 55.95 56.56 1wfy s SER 3 Cb 0.04 0.00 0.00 0.00 0.10 0.00 0.00 66.02 66.17 1wfy s SER 3 CO -0.05 -0.01 0.00 0.61 0.98 0.00 0.00 173.24 174.78 1wfy n GLY 4 N -0.39 -1.06 1.54 7.32 0.00 -1.26 -5.16 105.19 106.17 1wfy n GLY 4 Ca -0.07 0.61 0.00 0.00 0.00 0.00 0.00 46.02 46.56 1wfy n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wfy n SER 5 N 0.00 -8.30 -3.56 1.61 2.88 -1.26 -5.08 113.62 99.91 1wfy n SER 5 Ca 0.00 1.59 -0.07 0.00 -1.33 0.00 0.00 58.87 59.06 1wfy n SER 5 Cb 0.00 -4.82 -0.03 0.00 -0.75 0.00 0.00 64.21 58.61 1wfy n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wfy s SER 6 N -4.58 -0.27 -0.07 -3.46 1.04 -1.26 -5.17 113.70 99.93 1wfy s SER 6 Ca 0.00 0.09 -0.03 0.00 0.48 0.00 0.00 55.95 56.49 1wfy s SER 6 Cb 0.00 0.26 0.04 0.00 0.10 0.00 0.00 66.02 66.43 1wfy s SER 6 CO 0.00 -0.40 0.14 -0.83 0.98 0.00 0.00 173.24 173.14 1wfy s GLY 7 N -2.01 0.02 -0.30 7.32 0.00 -1.26 -5.13 107.32 105.96 1wfy s GLY 7 Ca 0.05 0.60 -0.20 0.00 0.00 0.00 0.00 44.72 45.17 1wfy s GLY 7 CO -0.05 1.25 1.31 0.51 0.00 0.00 0.00 173.10 176.12 1wfy s ASP 8 N 1.62 -0.11 0.43 1.64 -4.77 -1.26 -5.19 116.67 109.04 1wfy s ASP 8 Ca -0.04 0.19 0.03 0.00 -3.30 0.00 0.00 52.55 49.43 1wfy s ASP 8 Cb -0.12 0.63 -0.03 0.00 -1.09 0.00 0.00 42.92 42.31 1wfy s ASP 8 CO -0.06 -0.03 0.08 -1.10 0.70 0.00 0.00 175.17 174.76 1wfy s GLN 9 N 0.58 1.97 0.00 2.11 -0.21 -1.26 -5.16 119.66 117.69 1wfy s GLN 9 Ca -0.01 -2.20 0.00 0.00 0.02 0.00 0.00 55.36 53.17 1wfy s GLN 9 Cb -0.04 -0.97 0.00 0.00 1.00 0.00 0.00 33.01 33.00 1wfy s GLN 9 CO -0.13 -0.38 0.00 -0.85 -2.12 0.00 0.00 175.29 171.82 1wfy n GLU 10 N -0.99 0.00 -4.41 2.91 0.28 -1.26 -5.18 120.64 111.99 1wfy n GLU 10 Ca -0.09 0.00 -0.20 0.00 -0.16 0.00 0.00 57.16 56.71 1wfy n GLU 10 Cb 0.66 0.00 -0.10 0.00 1.43 0.00 0.00 31.44 33.42 1wfy n GLU 10 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 1wfy s VAL 11 N -2.00 1.17 -0.16 3.84 -7.23 -1.26 -5.08 120.40 109.69 1wfy s VAL 11 Ca 0.00 -2.02 -0.29 0.00 -1.81 0.00 0.00 61.98 57.85 1wfy s VAL 11 Cb 0.00 -2.64 -0.07 0.00 0.56 0.00 0.00 36.38 34.24 1wfy s VAL 11 CO 0.00 -0.11 2.15 -2.11 -0.31 0.00 0.00 175.10 174.71 1wfy n ARG 12 N -0.60 2.15 -2.85 4.82 1.85 -1.26 -4.82 116.66 115.96 1wfy n ARG 12 Ca -0.03 0.66 -0.11 0.00 -1.00 0.00 0.00 57.85 57.37 1wfy n ARG 12 Cb 0.66 -3.11 0.06 0.00 -1.05 0.00 0.00 32.46 29.02 1wfy n ARG 12 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1wfy n LEU 13 N 10.33 -1.53 -3.97 2.89 4.77 -1.26 -5.13 117.00 123.11 1wfy n LEU 13 Ca 0.28 -4.03 -0.09 0.00 -0.03 0.00 0.00 56.01 52.13 1wfy n LEU 13 Cb 0.42 0.87 -0.08 0.00 -2.33 0.00 0.00 43.42 42.30 1wfy n LEU 13 CO 0.68 2.13 -0.10 -1.61 -1.33 0.00 0.00 177.39 177.16 1wfy s GLU 14 N -0.43 1.02 -1.16 3.23 2.02 -1.26 -5.07 118.70 117.05 1wfy s GLU 14 Ca 0.27 -1.16 -0.05 0.00 0.02 0.00 0.00 54.97 54.04 1wfy s GLU 14 Cb 0.31 0.34 0.25 0.00 0.10 0.00 0.00 34.13 35.13 1wfy s GLU 14 CO -0.06 -0.34 1.75 0.09 0.02 0.00 0.00 175.26 176.72 1wfy n ASN 15 N -0.14 6.36 -4.53 -0.19 3.02 -1.26 -5.00 115.26 113.52 1wfy n ASN 15 Ca -0.09 -3.34 -0.58 0.00 -0.03 0.00 0.00 54.58 50.54 1wfy n ASN 15 Cb 0.63 -1.33 -0.08 0.00 -0.61 0.00 0.00 39.78 38.40 1wfy n ASN 15 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1wfy n ARG 16 N 1.89 0.26 -4.08 3.52 3.00 -1.26 -4.56 116.66 115.43 1wfy n ARG 16 Ca 0.37 0.10 -0.27 0.00 -0.01 0.00 0.00 57.85 58.04 1wfy n ARG 16 Cb 0.32 -1.63 -0.06 0.00 0.00 0.00 0.00 32.46 31.09 1wfy n ARG 16 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.63 178.59 1wfy s ILE 17 N 0.23 4.46 0.11 0.55 -5.25 -0.75 -4.92 121.20 115.62 1wfy s ILE 17 Ca 0.90 -1.06 0.07 0.00 -0.99 0.00 0.00 60.65 59.57 1wfy s ILE 17 Cb -1.20 -3.26 -0.04 0.00 2.95 0.00 0.00 42.46 40.91 1wfy s ILE 17 CO 0.56 -0.08 -0.16 -0.89 -1.79 0.00 0.00 174.94 172.57 1wfy s THR 18 N -1.71 1.44 0.14 8.37 2.01 -1.26 -2.00 115.64 122.62 1wfy s THR 18 Ca 0.31 -1.61 -0.13 0.00 0.31 0.00 0.00 61.69 60.56 1wfy s THR 18 Cb -0.10 -1.47 0.02 0.00 0.01 0.00 0.00 72.50 70.95 1wfy s THR 18 CO 0.23 -0.28 0.35 0.72 -0.69 0.00 0.00 174.62 174.96 1wfy s PHE 19 N -1.70 0.01 0.20 4.92 -0.12 -0.10 -1.39 117.98 119.79 1wfy s PHE 19 Ca 0.07 -0.37 0.04 0.00 -0.05 0.00 0.00 56.93 56.62 1wfy s PHE 19 Cb -0.07 0.15 -0.03 0.00 -0.63 0.00 0.00 43.02 42.43 1wfy s PHE 19 CO 0.04 -0.71 0.29 -0.65 -0.05 0.00 0.00 175.22 174.14 1wfy s GLN 20 N -3.86 3.33 0.01 1.99 -0.21 -1.25 0.62 119.66 120.29 1wfy s GLN 20 Ca 0.07 -0.75 0.03 0.00 0.02 0.00 0.00 55.36 54.74 1wfy s GLN 20 Cb 0.02 -2.86 -0.01 0.00 1.00 0.00 0.00 33.01 31.17 1wfy s GLN 20 CO -0.08 0.46 -0.10 -1.17 -2.12 0.00 0.00 175.29 172.28 1wfy s LEU 21 N -3.63 2.08 -0.38 2.90 0.20 0.51 -1.39 118.68 118.97 1wfy s LEU 21 Ca 0.34 -0.27 -0.14 0.00 0.69 0.00 0.00 54.13 54.75 1wfy s LEU 21 Cb -0.10 -0.48 0.00 0.00 -0.43 0.00 0.00 46.19 45.19 1wfy s LEU 21 CO 0.28 0.07 0.27 -0.70 -0.29 0.00 0.00 176.35 175.98 1wfy s GLU 22 N -0.56 3.22 -1.37 1.98 2.12 0.50 0.42 118.70 125.00 1wfy s GLU 22 Ca 0.02 -0.84 -0.12 0.00 0.36 0.00 0.00 54.97 54.38 1wfy s GLU 22 Cb -0.05 -3.90 0.10 0.00 0.26 0.00 0.00 34.13 30.54 1wfy s GLU 22 CO 0.00 -0.61 2.04 1.28 -0.54 0.00 0.00 175.26 177.43 1wfy n LEU 23 N 5.13 6.66 -0.16 2.70 4.77 -0.38 0.17 117.00 135.90 1wfy n LEU 23 Ca -0.12 -4.35 -0.13 0.00 -0.03 0.00 0.00 56.01 51.38 1wfy n LEU 23 Cb 0.48 -1.59 -0.09 0.00 -2.33 0.00 0.00 43.42 39.90 1wfy n LEU 23 CO 0.39 1.18 0.51 0.58 -1.33 0.00 0.00 177.39 178.71 1wfy h VAL 24 N 3.97 0.02 -0.93 4.08 2.07 -1.79 0.49 116.25 124.15 1wfy h VAL 24 Ca 0.48 0.00 0.38 0.00 0.82 0.00 0.00 66.70 68.38 1wfy h VAL 24 Cb 0.65 0.02 -0.15 0.00 -1.52 0.00 0.00 31.29 30.28 1wfy h VAL 24 CO 1.74 0.00 0.52 0.61 0.02 0.00 0.00 177.57 180.47 1wfy n GLY 25 N -1.38 -0.67 0.00 2.17 0.00 -1.26 -3.65 105.19 100.40 1wfy n GLY 25 Ca -0.03 0.70 0.00 0.00 0.00 0.00 0.00 46.02 46.70 1wfy n GLY 25 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1wfy n LEU 26 N -4.90 0.00 0.00 0.99 7.94 0.14 -5.08 117.00 116.08 1wfy n LEU 26 Ca 0.34 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.24 1wfy n LEU 26 Cb 1.17 0.00 0.00 0.00 0.53 0.00 0.00 43.42 45.12 1wfy n LEU 26 CO 0.03 0.00 0.00 -0.62 -1.11 0.00 0.00 177.39 175.69 1wfy n GLU 27 N 0.00 0.00 -3.73 1.96 -0.58 0.72 -5.06 120.64 113.96 1wfy n GLU 27 Ca 0.00 0.00 -0.14 0.00 -0.42 0.00 0.00 57.16 56.60 1wfy n GLU 27 Cb 0.00 0.00 -0.09 0.00 -0.57 0.00 0.00 31.44 30.78 1wfy n GLU 27 CO 0.00 0.00 0.00 -0.98 -0.48 0.00 0.00 177.13 175.67 1wfy s ARG 28 N 0.00 0.68 -0.03 3.49 1.70 -1.25 -5.01 118.95 118.54 1wfy s ARG 28 Ca 0.00 -0.01 -0.14 0.00 -0.47 0.00 0.00 55.73 55.11 1wfy s ARG 28 Cb 0.00 0.31 -0.05 0.00 -0.57 0.00 0.00 34.95 34.64 1wfy s ARG 28 CO 0.00 -0.18 0.37 0.08 -1.08 0.00 0.00 175.30 174.49 1wfy s VAL 29 N -1.05 5.12 0.31 4.99 1.01 -1.26 -1.25 120.40 128.28 1wfy s VAL 29 Ca -0.11 0.74 0.09 0.00 0.00 0.00 0.00 61.98 62.70 1wfy s VAL 29 Cb -0.04 -3.67 -0.06 0.00 0.00 0.00 0.00 36.38 32.61 1wfy s VAL 29 CO 0.04 0.56 -0.10 0.68 0.00 0.00 0.00 175.10 176.29 1wfy s VAL 30 N -0.90 2.07 0.01 2.92 -7.23 0.17 -4.90 120.40 112.53 1wfy s VAL 30 Ca 0.22 -2.21 0.08 0.00 -1.81 0.00 0.00 61.98 58.27 1wfy s VAL 30 Cb -0.16 -2.52 -0.03 0.00 0.56 0.00 0.00 36.38 34.23 1wfy s VAL 30 CO 0.11 -0.27 -0.24 -0.60 -0.31 0.00 0.00 175.10 173.80 1wfy s ARG 31 N -3.64 2.04 -0.03 4.82 3.52 -1.26 0.19 118.95 124.60 1wfy s ARG 31 Ca 0.31 -0.97 0.04 0.00 -0.13 0.00 0.00 55.73 54.97 1wfy s ARG 31 Cb 0.02 -2.08 -0.00 0.00 -1.56 0.00 0.00 34.95 31.33 1wfy s ARG 31 CO 0.15 0.55 -0.13 0.42 -0.81 0.00 0.00 175.30 175.47 1wfy s ILE 32 N -0.73 1.11 -0.05 4.11 1.01 0.20 -4.95 121.20 121.90 1wfy s ILE 32 Ca 0.11 -0.56 0.05 0.00 0.00 0.00 0.00 60.65 60.26 1wfy s ILE 32 Cb -0.10 -0.96 -0.01 0.00 0.01 0.00 0.00 42.46 41.40 1wfy s ILE 32 CO 0.01 0.33 -0.20 -0.94 0.00 0.00 0.00 174.94 174.13 1wfy s SER 33 N 0.01 2.54 -0.24 3.58 1.04 -1.26 -0.93 113.70 118.44 1wfy s SER 33 Ca -0.01 -0.42 -0.37 0.00 0.48 0.00 0.00 55.95 55.62 1wfy s SER 33 Cb -0.09 -0.75 0.15 0.00 0.10 0.00 0.00 66.02 65.43 1wfy s SER 33 CO 0.01 0.18 1.31 0.00 0.98 0.00 0.00 173.24 175.72 1wfy s ALA 34 N 0.01 -2.16 0.66 5.32 0.00 -0.85 -5.03 121.76 119.71 1wfy s ALA 34 Ca -0.05 1.74 -0.17 0.00 0.00 0.00 0.00 51.96 53.48 1wfy s ALA 34 Cb -0.13 -0.26 -0.02 0.00 0.00 0.00 0.00 23.12 22.71 1wfy s ALA 34 CO 0.03 -0.59 0.93 0.36 0.00 0.00 0.00 175.76 176.49 1wfy n LYS 35 N -0.06 0.67 0.07 0.00 0.00 -1.26 -1.81 118.16 115.77 1wfy n LYS 35 Ca 0.03 0.28 -0.07 0.00 -0.00 0.00 0.00 58.31 58.54 1wfy n LYS 35 Cb 0.57 -2.16 -0.05 0.00 -0.00 0.00 0.00 35.03 33.39 1wfy n LYS 35 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.40 176.40 1wfy h PRO 36 N 0.09 -0.25 -0.91 -1.58 0.13 -1.87 -3.33 132.00 124.27 1wfy h PRO 36 Ca -0.48 0.02 0.16 0.00 -0.87 0.00 0.00 66.00 64.82 1wfy h PRO 36 Cb 1.35 0.06 -0.16 0.00 0.13 0.00 0.00 31.00 32.38 1wfy h PRO 36 CO 0.48 0.01 -0.31 0.25 -0.23 0.00 0.00 178.00 178.20 1wfy n THR 37 N -4.94 -0.44 -0.93 1.56 -2.24 -1.26 -2.79 114.28 103.23 1wfy n THR 37 Ca -0.05 2.11 -0.36 0.00 -2.27 0.00 0.00 64.05 63.47 1wfy n THR 37 Cb 0.19 -2.83 0.06 0.00 -2.10 0.00 0.00 70.33 65.65 1wfy n THR 37 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1wfy n LYS 38 N -5.39 -0.23 -2.15 -0.78 4.81 -1.25 -4.62 118.16 108.55 1wfy n LYS 38 Ca 0.11 -0.06 -0.21 0.00 -0.87 0.00 0.00 58.31 57.28 1wfy n LYS 38 Cb 0.40 -1.20 0.12 0.00 0.02 0.00 0.00 35.03 34.37 1wfy n LYS 38 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1wfy n ARG 39 N 1.37 -0.29 0.12 1.64 1.74 -1.26 -2.52 116.66 117.46 1wfy n ARG 39 Ca -0.00 -2.23 0.03 0.00 -0.77 0.00 0.00 57.85 54.88 1wfy n ARG 39 Cb 0.63 -0.73 0.01 0.00 -1.02 0.00 0.00 32.46 31.35 1wfy n ARG 39 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1wfy h LEU 40 N 0.00 0.00 0.10 0.55 3.38 0.76 -1.93 115.31 118.17 1wfy h LEU 40 Ca -0.31 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.34 1wfy h LEU 40 Cb 1.06 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.79 1wfy h LEU 40 CO 0.30 0.45 -1.71 0.06 0.09 0.00 0.00 178.44 177.63 1wfy h GLN 41 N 0.00 0.22 0.00 1.13 3.07 -1.84 -2.59 115.11 115.09 1wfy h GLN 41 Ca -0.04 -0.37 -0.09 0.00 0.09 0.00 0.00 58.65 58.24 1wfy h GLN 41 Cb 1.38 0.14 -0.01 0.00 0.08 0.00 0.00 27.48 29.06 1wfy h GLN 41 CO 0.05 1.04 -0.43 0.93 0.09 0.00 0.00 178.83 180.51 1wfy h GLU 42 N 0.06 0.00 0.00 0.06 4.39 -1.89 0.37 114.58 117.56 1wfy h GLU 42 Ca -0.31 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.21 1wfy h GLU 42 Cb 2.03 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 30.65 1wfy h GLU 42 CO 0.13 0.43 -1.13 0.00 -1.16 0.00 0.00 179.01 177.27 1wfy h ALA 43 N 1.57 0.61 0.00 3.43 0.00 -1.46 -3.27 119.26 120.14 1wfy h ALA 43 Ca -0.00 -0.88 0.00 0.00 0.00 0.00 0.00 54.91 54.03 1wfy h ALA 43 Cb 1.21 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1wfy h ALA 43 CO 0.06 1.05 -1.07 1.28 0.00 0.00 0.00 179.25 180.57 1wfy n LEU 44 N -3.12 0.61 -0.13 0.00 7.99 -0.98 -4.19 117.00 117.18 1wfy n LEU 44 Ca -0.06 0.05 -0.04 0.00 -0.01 0.00 0.00 56.01 55.96 1wfy n LEU 44 Cb 0.88 -0.09 0.03 0.00 -0.11 0.00 0.00 43.42 44.13 1wfy n LEU 44 CO 0.44 -0.00 0.81 1.56 -1.51 0.00 0.00 177.39 178.69 1wfy h GLN 45 N 0.00 0.05 0.00 3.23 1.08 -0.31 1.70 115.11 120.86 1wfy h GLN 45 Ca 0.00 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1wfy h GLN 45 Cb 0.79 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.21 1wfy h GLN 45 CO 0.00 0.03 0.00 -0.35 -0.95 0.00 0.00 178.83 177.56 1wfy n PRO 46 N -5.27 0.51 -0.13 1.46 -0.04 -1.26 -1.35 135.00 128.92 1wfy n PRO 46 Ca 0.03 0.04 -0.25 0.00 -0.04 0.00 0.00 63.50 63.29 1wfy n PRO 46 Cb 0.24 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.09 1wfy n PRO 46 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1wfy n ILE 47 N -1.16 1.46 0.01 0.52 2.08 0.17 -3.72 119.36 118.73 1wfy n ILE 47 Ca 0.14 -0.44 -0.04 0.00 0.56 0.00 0.00 62.75 62.98 1wfy n ILE 47 Cb 0.14 -1.70 0.20 0.00 -0.75 0.00 0.00 39.64 37.53 1wfy n ILE 47 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 1wfy h LEU 48 N -0.63 0.49 -1.03 1.39 3.38 0.23 0.29 115.31 119.42 1wfy h LEU 48 Ca -0.64 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.13 1wfy h LEU 48 Cb 1.69 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 42.30 1wfy h LEU 48 CO -0.30 0.74 -0.15 0.00 0.09 0.00 0.00 178.44 178.81 1wfy h ALA 49 N 1.30 0.99 -0.00 1.53 0.00 -1.40 1.62 119.26 123.30 1wfy h ALA 49 Ca 0.06 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1wfy h ALA 49 Cb 0.67 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1wfy h ALA 49 CO 0.05 0.19 -0.69 1.63 0.00 0.00 0.00 179.25 180.43 1wfy n LYS 50 N -3.27 0.32 -0.05 0.00 5.02 -0.67 -3.89 118.16 115.62 1wfy n LYS 50 Ca 0.01 -0.24 0.02 0.00 -2.02 0.00 0.00 58.31 56.08 1wfy n LYS 50 Cb 0.42 -1.50 0.05 0.00 -0.02 0.00 0.00 35.03 33.99 1wfy n LYS 50 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1wfy n HIS 51 N -1.13 0.14 -1.50 2.13 8.25 0.92 -4.96 115.22 119.08 1wfy n HIS 51 Ca 0.06 -0.47 -0.17 0.00 -0.26 0.00 0.00 57.72 56.88 1wfy n HIS 51 Cb 0.36 -0.04 -0.07 0.00 1.12 0.00 0.00 29.99 31.36 1wfy n HIS 51 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1wfy n GLY 52 N -0.15 1.64 0.00 -1.41 0.00 0.10 -4.95 105.19 100.42 1wfy n GLY 52 Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1wfy n GLY 52 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wfy n LEU 53 N -1.94 0.00 -3.99 0.99 4.77 0.51 -4.78 117.00 112.56 1wfy n LEU 53 Ca -0.17 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.68 1wfy n LEU 53 Cb 0.64 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.71 1wfy n LEU 53 CO 0.26 -0.37 0.29 -0.44 -1.33 0.00 0.00 177.39 175.79 1wfy s SER 54 N -1.00 0.63 -0.08 -1.43 0.01 -1.26 -4.31 113.70 106.26 1wfy s SER 54 Ca 0.00 -1.38 0.11 0.00 1.31 0.00 0.00 55.95 55.98 1wfy s SER 54 Cb 0.00 0.74 -0.24 0.00 0.21 0.00 0.00 66.02 66.73 1wfy s SER 54 CO 0.00 -1.45 0.53 0.18 0.41 0.00 0.00 173.24 172.91 1wfy n LEU 55 N -0.56 1.02 -2.21 2.44 4.77 -1.26 -3.67 117.00 117.53 1wfy n LEU 55 Ca -0.02 0.33 -0.28 0.00 -0.03 0.00 0.00 56.01 56.00 1wfy n LEU 55 Cb 0.61 0.03 0.11 0.00 -2.33 0.00 0.00 43.42 41.83 1wfy n LEU 55 CO 0.29 0.47 1.35 -0.67 -1.33 0.00 0.00 177.39 177.50 1wfy n ASP 56 N -3.06 6.16 0.00 -1.43 2.03 -1.26 -4.19 116.55 114.79 1wfy n ASP 56 Ca -0.21 -3.60 0.00 0.00 0.52 0.00 0.00 54.79 51.50 1wfy n ASP 56 Cb 1.06 -0.93 0.00 0.00 -0.72 0.00 0.00 41.12 40.54 1wfy n ASP 56 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1wfy n GLN 57 N -0.81 0.00 -2.75 -0.67 1.13 -1.26 -5.10 117.38 107.92 1wfy n GLN 57 Ca 0.56 0.00 -0.22 0.00 -1.94 0.00 0.00 57.00 55.40 1wfy n GLN 57 Cb 0.97 -0.21 0.03 0.00 0.11 0.00 0.00 30.24 31.14 1wfy n GLN 57 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 1wfy s VAL 58 N -1.86 3.25 -0.13 5.09 -7.23 -1.24 -3.88 120.40 114.39 1wfy s VAL 58 Ca 0.00 -0.54 -0.01 0.00 -1.81 0.00 0.00 61.98 59.62 1wfy s VAL 58 Cb 0.00 -3.22 0.04 0.00 0.56 0.00 0.00 36.38 33.76 1wfy s VAL 58 CO 0.00 -0.16 -0.03 -0.69 -0.31 0.00 0.00 175.10 173.91 1wfy s VAL 59 N -2.71 0.81 -0.01 1.32 1.01 -1.14 -4.91 120.40 114.76 1wfy s VAL 59 Ca 0.54 -0.34 -0.16 0.00 0.00 0.00 0.00 61.98 62.02 1wfy s VAL 59 Cb -0.10 -0.99 -0.06 0.00 0.00 0.00 0.00 36.38 35.23 1wfy s VAL 59 CO 0.39 0.17 0.43 -0.22 0.00 0.00 0.00 175.10 175.87 1wfy s LEU 60 N 1.77 4.46 -0.27 3.92 1.98 -1.26 -2.02 118.68 127.26 1wfy s LEU 60 Ca 0.03 0.98 -0.26 0.00 -2.89 0.00 0.00 54.13 51.98 1wfy s LEU 60 Cb -0.14 -2.63 0.16 0.00 0.66 0.00 0.00 46.19 44.23 1wfy s LEU 60 CO -0.07 0.28 1.23 -1.38 -1.89 0.00 0.00 176.35 174.51 1wfy s HIS 61 N -0.86 -0.25 0.76 5.38 -3.43 -0.82 -1.52 115.29 114.56 1wfy s HIS 61 Ca 0.24 0.56 -0.11 0.00 -0.80 0.00 0.00 55.06 54.96 1wfy s HIS 61 Cb -0.17 0.44 0.05 0.00 -1.43 0.00 0.00 32.58 31.47 1wfy s HIS 61 CO 0.14 -0.14 1.08 1.03 -2.00 0.00 0.00 174.74 174.85 1wfy s ARG 62 N -0.18 2.37 -0.80 -0.38 0.52 -1.26 0.11 118.95 119.31 1wfy s ARG 62 Ca 0.05 1.11 -0.25 0.00 -0.52 0.00 0.00 55.73 56.11 1wfy s ARG 62 Cb -0.04 -1.91 0.00 0.00 0.52 0.00 0.00 34.95 33.52 1wfy s ARG 62 CO -0.09 -1.55 1.62 -1.25 0.02 0.00 0.00 175.30 174.05 1wfy s PRO 63 N -4.94 2.99 0.00 3.54 0.04 -1.26 -3.43 135.00 131.94 1wfy s PRO 63 Ca 0.61 -0.22 0.00 0.00 0.04 0.00 0.00 61.00 61.42 1wfy s PRO 63 Cb -0.16 -4.70 0.00 0.00 0.04 0.00 0.00 34.50 29.68 1wfy s PRO 63 CO 0.56 -2.59 0.00 0.41 0.04 0.00 0.00 177.00 175.42 1wfy n GLY 64 N 6.13 0.70 3.80 0.56 0.00 -1.26 -5.10 105.19 110.02 1wfy n GLY 64 Ca 0.23 -0.37 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 1wfy n GLY 64 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wfy s GLU 65 N -0.13 2.21 -0.01 1.61 0.41 -1.22 -5.05 118.70 116.52 1wfy s GLU 65 Ca 0.00 -2.30 0.10 0.00 -0.41 0.00 0.00 54.97 52.35 1wfy s GLU 65 Cb 0.00 -1.68 -0.14 0.00 -1.78 0.00 0.00 34.13 30.53 1wfy s GLU 65 CO 0.00 -0.43 0.27 0.36 -0.49 0.00 0.00 175.26 174.97 1wfy n LYS 66 N -1.40 1.39 -3.84 1.61 -0.00 -1.26 -5.05 118.16 109.62 1wfy n LYS 66 Ca -0.15 -0.06 -0.09 0.00 -0.00 0.00 0.00 58.31 58.02 1wfy n LYS 66 Cb 0.66 -1.14 -0.03 0.00 -0.00 0.00 0.00 35.03 34.51 1wfy n LYS 66 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1wfy s GLN 67 N -2.44 1.57 0.02 -1.58 -0.21 -1.26 -5.14 119.66 110.62 1wfy s GLN 67 Ca -0.01 -0.99 -0.30 0.00 0.02 0.00 0.00 55.36 54.07 1wfy s GLN 67 Cb 0.07 0.54 -0.05 0.00 1.00 0.00 0.00 33.01 34.57 1wfy s GLN 67 CO 0.40 -0.69 1.19 -1.25 -2.12 0.00 0.00 175.29 172.82 1wfy s PRO 68 N -3.92 4.41 1.10 2.91 0.04 -1.26 -4.83 135.00 133.45 1wfy s PRO 68 Ca 0.13 1.71 -0.12 0.00 0.04 0.00 0.00 61.00 62.76 1wfy s PRO 68 Cb -0.03 -3.43 0.24 0.00 0.04 0.00 0.00 34.50 31.32 1wfy s PRO 68 CO 0.03 -0.31 1.01 -1.33 0.04 0.00 0.00 177.00 176.45 1wfy n MET 69 N 4.37 -1.85 -3.68 4.56 2.81 -0.57 -4.98 117.12 117.78 1wfy n MET 69 Ca 0.09 -0.50 -0.38 0.00 -1.81 0.00 0.00 57.70 55.11 1wfy n MET 69 Cb 0.47 -2.21 -0.12 0.00 -0.71 0.00 0.00 33.22 30.65 1wfy n MET 69 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1wfy s ASP 70 N -2.45 5.49 0.53 7.83 1.01 -1.26 -4.77 116.67 123.05 1wfy s ASP 70 Ca 0.68 -0.33 0.24 0.00 0.71 0.00 0.00 52.55 53.84 1wfy s ASP 70 Cb -0.24 -2.00 1.38 0.00 1.01 0.00 0.00 42.92 43.07 1wfy s ASP 70 CO 0.63 -0.12 2.02 -0.07 0.21 0.00 0.00 175.17 177.85 1wfy h LEU 71 N 8.32 0.00 -1.60 1.23 3.38 -1.93 -0.07 115.31 124.64 1wfy h LEU 71 Ca -0.35 0.00 0.31 0.00 0.09 0.00 0.00 57.88 57.93 1wfy h LEU 71 Cb 1.16 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.87 1wfy h LEU 71 CO 0.59 0.00 1.01 -0.33 0.09 0.00 0.00 178.44 179.80 1wfy h GLU 72 N 0.00 0.00 -7.03 1.13 5.08 -1.96 0.99 114.58 112.80 1wfy h GLU 72 Ca 0.21 0.00 -0.48 0.00 -1.00 0.00 0.00 59.36 58.09 1wfy h GLU 72 Cb 0.83 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.10 1wfy h GLU 72 CO -0.00 0.00 0.40 -0.80 -1.00 0.00 0.00 179.01 177.61 1wfy s ASN 73 N -4.25 6.49 0.38 1.42 0.01 -0.04 -4.71 114.94 114.24 1wfy s ASN 73 Ca -0.04 1.98 -0.25 0.00 -0.71 0.00 0.00 52.86 53.84 1wfy s ASN 73 Cb 0.18 -2.57 -0.09 0.00 0.41 0.00 0.00 41.25 39.18 1wfy s ASN 73 CO 0.62 -0.68 1.06 -2.16 -1.51 0.00 0.00 177.10 174.43 1wfy s PRO 74 N -2.94 4.25 0.64 -0.60 0.04 -1.26 -1.15 135.00 133.98 1wfy s PRO 74 Ca 0.64 1.57 0.35 0.00 0.04 0.00 0.00 61.00 63.60 1wfy s PRO 74 Cb -0.19 -2.66 1.91 0.00 0.04 0.00 0.00 34.50 33.60 1wfy s PRO 74 CO 0.23 -0.08 2.13 -0.39 0.04 0.00 0.00 177.00 178.93 1wfy h VAL 75 N 2.36 0.15 -0.01 -0.36 -1.51 -1.31 0.25 116.25 115.82 1wfy h VAL 75 Ca -0.48 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.99 1wfy h VAL 75 Cb 1.22 0.83 -0.00 0.00 -2.13 0.00 0.00 31.29 31.21 1wfy h VAL 75 CO 0.63 0.00 0.09 -1.28 -1.23 0.00 0.00 177.57 175.78 1wfy h SER 76 N 0.00 0.00 0.59 4.19 0.87 -1.79 0.86 113.55 118.27 1wfy h SER 76 Ca 0.03 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 1wfy h SER 76 Cb 0.39 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.35 1wfy h SER 76 CO -0.00 0.00 -0.37 -1.20 -0.53 0.00 0.00 176.83 174.73 1wfy n SER 77 N -3.10 0.41 -2.46 6.23 7.64 0.89 -3.86 113.62 119.37 1wfy n SER 77 Ca -0.03 -0.12 -0.18 0.00 1.01 0.00 0.00 58.87 59.55 1wfy n SER 77 Cb 0.15 0.07 0.02 0.00 -1.01 0.00 0.00 64.21 63.45 1wfy n SER 77 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1wfy n VAL 78 N -1.45 1.94 -3.45 0.44 0.24 0.29 -5.01 118.33 111.33 1wfy n VAL 78 Ca 0.06 -4.04 -0.37 0.00 -2.04 0.00 0.00 64.34 57.95 1wfy n VAL 78 Cb 0.33 -0.42 -0.06 0.00 -1.47 0.00 0.00 33.84 32.22 1wfy n VAL 78 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1wfy s ALA 79 N -3.50 3.60 0.00 2.33 0.00 -1.00 -4.48 121.76 118.71 1wfy s ALA 79 Ca 0.41 -0.28 0.00 0.00 0.00 0.00 0.00 51.96 52.09 1wfy s ALA 79 Cb 0.40 -2.47 0.00 0.00 0.00 0.00 0.00 23.12 21.06 1wfy s ALA 79 CO -0.06 0.22 0.00 0.45 0.00 0.00 0.00 175.76 176.37 1wfy n SER 80 N 2.92 0.00 -4.31 0.00 2.88 -0.49 -4.92 113.62 109.71 1wfy n SER 80 Ca -0.11 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 57.06 1wfy n SER 80 Cb 0.52 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 64.02 1wfy n SER 80 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wfy n GLN 81 N 0.00 0.16 -3.58 -1.46 6.02 -1.26 -4.30 117.38 112.95 1wfy n GLN 81 Ca 0.00 0.07 -0.33 0.00 -0.01 0.00 0.00 57.00 56.73 1wfy n GLN 81 Cb 0.00 -1.40 -0.05 0.00 1.02 0.00 0.00 30.24 29.81 1wfy n GLN 81 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1wfy s THR 82 N -1.95 5.10 0.26 5.09 2.01 -1.26 -3.75 115.64 121.14 1wfy s THR 82 Ca 0.58 0.34 0.11 0.00 0.31 0.00 0.00 61.69 63.04 1wfy s THR 82 Cb -0.38 -3.64 -0.05 0.00 0.01 0.00 0.00 72.50 68.45 1wfy s THR 82 CO 0.65 0.18 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.83 1wfy s LEU 83 N -2.22 2.69 -0.20 4.42 1.43 -0.48 -4.28 118.68 120.04 1wfy s LEU 83 Ca 0.37 -0.93 0.00 0.00 -1.03 0.00 0.00 54.13 52.54 1wfy s LEU 83 Cb -0.13 -1.23 0.02 0.00 0.03 0.00 0.00 46.19 44.88 1wfy s LEU 83 CO 0.20 0.04 -0.16 -0.69 0.23 0.00 0.00 176.35 175.98 1wfy s VAL 84 N -2.36 2.32 -0.13 -1.59 1.01 0.29 0.19 120.40 120.13 1wfy s VAL 84 Ca 0.29 -0.95 -0.07 0.00 0.00 0.00 0.00 61.98 61.26 1wfy s VAL 84 Cb -0.06 -2.04 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 1wfy s VAL 84 CO 0.15 0.44 0.10 -0.22 0.00 0.00 0.00 175.10 175.58 1wfy s LEU 85 N 1.30 4.15 -0.41 3.92 1.98 0.13 -1.94 118.68 127.80 1wfy s LEU 85 Ca 0.03 0.32 0.03 0.00 -2.89 0.00 0.00 54.13 51.63 1wfy s LEU 85 Cb -0.14 -2.02 0.12 0.00 0.66 0.00 0.00 46.19 44.81 1wfy s LEU 85 CO -0.10 0.34 0.16 -0.62 -1.89 0.00 0.00 176.35 174.24 1wfy s ASP 86 N -0.60 4.25 0.81 3.68 2.15 -0.86 -2.67 116.67 123.43 1wfy s ASP 86 Ca 0.12 -2.42 -0.12 0.00 0.43 0.00 0.00 52.55 50.56 1wfy s ASP 86 Cb -0.12 -1.36 0.09 0.00 -0.30 0.00 0.00 42.92 41.23 1wfy s ASP 86 CO 0.02 -0.32 1.16 0.42 -0.17 0.00 0.00 175.17 176.28 1wfy s THR 87 N 0.56 2.39 0.60 1.71 -4.23 -1.26 -2.90 115.64 112.50 1wfy s THR 87 Ca 0.14 0.15 -0.15 0.00 -1.18 0.00 0.00 61.69 60.65 1wfy s THR 87 Cb -0.22 -2.47 -0.04 0.00 1.34 0.00 0.00 72.50 71.12 1wfy s THR 87 CO -0.07 -0.14 1.05 -2.16 -0.54 0.00 0.00 174.62 172.76 1wfy s PRO 88 N -4.39 3.35 -0.73 3.99 0.04 -1.25 -4.90 135.00 131.10 1wfy s PRO 88 Ca 0.69 1.14 -0.06 0.00 0.04 0.00 0.00 61.00 62.81 1wfy s PRO 88 Cb -0.24 -2.04 -0.12 0.00 0.04 0.00 0.00 34.50 32.14 1wfy s PRO 88 CO 0.52 -0.78 2.62 -0.35 0.04 0.00 0.00 177.00 179.05 1wfy n PRO 89 N -2.11 2.26 0.00 0.56 -0.04 -1.26 -3.43 135.00 130.97 1wfy n PRO 89 Ca 0.08 -1.36 0.00 0.00 -0.04 0.00 0.00 63.50 62.19 1wfy n PRO 89 Cb 0.53 -2.30 0.00 0.00 -0.04 0.00 0.00 33.50 31.69 1wfy n PRO 89 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1wfy n ASP 90 N 3.41 0.00 -2.47 3.54 2.03 -1.26 -5.10 116.55 116.70 1wfy n ASP 90 Ca 0.48 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.76 1wfy n ASP 90 Cb 0.38 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.76 1wfy n ASP 90 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1wfy n ALA 91 N 0.00 -2.88 -1.22 -1.67 0.00 -1.22 -4.90 120.51 108.62 1wfy n ALA 91 Ca 0.00 1.49 0.00 0.00 0.00 0.00 0.00 53.44 54.93 1wfy n ALA 91 Cb 0.00 -3.16 0.00 0.00 0.00 0.00 0.00 19.45 16.29 1wfy n ALA 91 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1wfy n LYS 92 N 1.77 -3.45 -2.35 0.00 4.76 -1.26 -4.81 118.16 112.82 1wfy n LYS 92 Ca -0.22 2.50 -0.43 0.00 -2.87 0.00 0.00 58.31 57.30 1wfy n LYS 92 Cb 0.33 -2.77 -0.02 0.00 -1.84 0.00 0.00 35.03 30.73 1wfy n LYS 92 CO 0.00 0.00 0.00 1.41 -1.37 0.00 0.00 177.40 177.44 1wfy s MET 93 N -3.12 4.11 -0.15 1.97 -2.45 -1.26 -4.95 119.30 113.44 1wfy s MET 93 Ca 0.00 1.62 -0.34 0.00 -1.25 0.00 0.00 55.69 55.72 1wfy s MET 93 Cb 0.00 -3.84 0.13 0.00 1.25 0.00 0.00 34.83 32.37 1wfy s MET 93 CO 0.00 -0.88 1.14 -1.12 1.05 0.00 0.00 175.02 175.21 1wfy s SER 94 N 2.55 -0.18 -1.24 1.11 0.01 -1.26 -5.07 113.70 109.62 1wfy s SER 94 Ca 0.59 0.00 -0.20 0.00 1.31 0.00 0.00 55.95 57.65 1wfy s SER 94 Cb -0.22 0.19 0.02 0.00 0.21 0.00 0.00 66.02 66.23 1wfy s SER 94 CO 0.20 -0.31 1.77 -1.61 0.41 0.00 0.00 173.24 173.70 1wfy s GLU 95 N -2.54 3.54 0.23 12.44 0.41 -1.26 -4.87 118.70 126.65 1wfy s GLU 95 Ca 0.08 -1.67 -0.01 0.00 -0.41 0.00 0.00 54.97 52.96 1wfy s GLU 95 Cb -0.01 -5.44 -0.03 0.00 -1.78 0.00 0.00 34.13 26.87 1wfy s GLU 95 CO -0.06 -2.73 0.22 0.00 -0.49 0.00 0.00 175.26 172.21 1wfy s ALA 96 N 6.19 1.06 -0.30 5.21 0.00 -1.26 -5.15 121.76 127.51 1wfy s ALA 96 Ca 0.57 -1.64 -0.13 0.00 0.00 0.00 0.00 51.96 50.77 1wfy s ALA 96 Cb 0.02 1.35 0.18 0.00 0.00 0.00 0.00 23.12 24.67 1wfy s ALA 96 CO 0.08 -0.65 1.08 0.50 0.00 0.00 0.00 175.76 176.77 1wfy s ARG 97 N -3.97 0.13 0.01 0.00 3.52 -1.26 -5.09 118.95 112.29 1wfy s ARG 97 Ca 0.37 0.16 0.01 0.00 -0.13 0.00 0.00 55.73 56.13 1wfy s ARG 97 Cb 0.05 0.08 -0.01 0.00 -1.56 0.00 0.00 34.95 33.51 1wfy s ARG 97 CO 0.14 -0.21 -0.04 -1.12 -0.81 0.00 0.00 175.30 173.27 1wfy s SER 98 N 2.96 0.38 0.28 -2.12 0.01 -1.26 -5.01 113.70 108.95 1wfy s SER 98 Ca 0.18 -0.24 0.00 0.00 1.31 0.00 0.00 55.95 57.21 1wfy s SER 98 Cb -0.04 0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.20 1wfy s SER 98 CO -0.19 -0.09 0.00 -0.24 0.41 0.00 0.00 173.24 173.14 1wfy n SER 99 N 2.42 -2.55 -1.83 2.44 2.88 -1.26 -5.00 113.62 110.72 1wfy n SER 99 Ca -0.17 0.70 -0.01 0.00 -1.33 0.00 0.00 58.87 58.06 1wfy n SER 99 Cb 0.57 2.55 -0.01 0.00 -0.75 0.00 0.00 64.21 66.57 1wfy n SER 99 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wfy n GLY 100 N -1.32 -3.53 3.82 0.46 0.00 -1.26 -5.03 105.19 98.33 1wfy n GLY 100 Ca 0.00 0.17 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 1wfy n GLY 100 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wfy s PRO 101 N -0.78 2.80 0.16 1.61 0.04 -1.26 -5.01 135.00 132.57 1wfy s PRO 101 Ca -0.06 0.90 0.00 0.00 0.04 0.00 0.00 61.00 61.88 1wfy s PRO 101 Cb 0.00 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.57 1wfy s PRO 101 CO 0.23 -1.18 0.00 0.45 0.04 0.00 0.00 177.00 176.54 1wfy n SER 102 N -3.18 0.37 -1.32 6.66 2.88 -1.26 -5.15 113.62 112.62 1wfy n SER 102 Ca 0.07 0.27 0.16 0.00 -1.33 0.00 0.00 58.87 58.04 1wfy n SER 102 Cb 0.54 0.04 -0.06 0.00 -0.75 0.00 0.00 64.21 63.98 1wfy n SER 102 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wfy n SER 103 N -3.36 -7.39 0.00 -3.46 7.64 -1.26 -5.37 113.62 100.42 1wfy n SER 103 Ca 0.00 0.90 0.00 0.00 1.01 0.00 0.00 58.87 60.78 1wfy n SER 103 Cb 0.05 -4.25 0.00 0.00 -1.01 0.00 0.00 64.21 58.99 1wfy n SER 103 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64