#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfy n SER 2 N 0.00 -7.17 -3.76 1.61 2.88 -1.26 -5.08 113.62 100.85 1wfy n SER 2 Ca 0.00 1.55 -0.05 0.00 -1.33 0.00 0.00 58.87 59.04 1wfy n SER 2 Cb 0.00 -4.23 -0.02 0.00 -0.75 0.00 0.00 64.21 59.22 1wfy n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wfy s SER 3 N -5.36 -0.22 0.00 -3.46 0.15 -1.26 -5.19 113.70 98.36 1wfy s SER 3 Ca 0.00 -0.42 0.00 0.00 0.70 0.00 0.00 55.95 56.23 1wfy s SER 3 Cb 0.00 0.54 0.00 0.00 -1.71 0.00 0.00 66.02 64.85 1wfy s SER 3 CO 0.00 -0.99 0.00 0.61 1.20 0.00 0.00 173.24 174.06 1wfy n GLY 4 N -0.45 2.25 3.50 9.45 0.00 -1.26 -5.19 105.19 113.48 1wfy n GLY 4 Ca -0.06 -1.01 -0.11 0.00 0.00 0.00 0.00 46.02 44.84 1wfy n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wfy s SER 5 N -0.59 -0.46 0.15 1.61 1.04 -1.26 -5.18 113.70 109.01 1wfy s SER 5 Ca 0.00 -0.18 -0.18 0.00 0.48 0.00 0.00 55.95 56.07 1wfy s SER 5 Cb 0.00 0.61 0.04 0.00 0.10 0.00 0.00 66.02 66.77 1wfy s SER 5 CO 0.00 -1.04 0.47 -0.44 0.98 0.00 0.00 173.24 173.21 1wfy s SER 6 N -2.80 -0.32 0.39 7.02 0.01 -1.26 -5.18 113.70 111.56 1wfy s SER 6 Ca 0.04 -0.28 0.08 0.00 1.31 0.00 0.00 55.95 57.10 1wfy s SER 6 Cb -0.02 0.52 -0.05 0.00 0.21 0.00 0.00 66.02 66.69 1wfy s SER 6 CO -0.08 -0.92 0.18 -0.83 0.41 0.00 0.00 173.24 172.00 1wfy s GLY 7 N -2.81 2.18 0.08 3.44 0.00 -1.26 -5.15 107.32 103.80 1wfy s GLY 7 Ca 0.04 -1.99 0.02 0.00 0.00 0.00 0.00 44.72 42.79 1wfy s GLY 7 CO -0.10 -1.84 -0.07 -0.35 0.00 0.00 0.00 173.10 170.74 1wfy s ASP 8 N -3.91 1.04 0.34 1.64 -1.08 -1.26 -5.17 116.67 108.28 1wfy s ASP 8 Ca 0.41 -0.89 0.08 0.00 -0.52 0.00 0.00 52.55 51.62 1wfy s ASP 8 Cb 0.01 0.09 -0.03 0.00 -1.46 0.00 0.00 42.92 41.53 1wfy s ASP 8 CO 0.23 -0.41 0.28 -1.10 0.52 0.00 0.00 175.17 174.69 1wfy s GLN 9 N -3.29 2.67 -0.52 4.34 -1.52 -1.26 -5.09 119.66 114.99 1wfy s GLN 9 Ca 0.06 -1.34 0.04 0.00 -1.95 0.00 0.00 55.36 52.17 1wfy s GLN 9 Cb 0.02 -2.43 0.16 0.00 -0.22 0.00 0.00 33.01 30.54 1wfy s GLN 9 CO -0.04 0.07 0.37 -1.21 -0.25 0.00 0.00 175.29 174.24 1wfy s GLU 10 N -3.99 1.51 0.00 2.91 2.02 -1.26 -5.02 118.70 114.87 1wfy s GLU 10 Ca 0.41 -2.50 0.00 0.00 0.02 0.00 0.00 54.97 52.90 1wfy s GLU 10 Cb -0.05 -2.28 0.00 0.00 0.10 0.00 0.00 34.13 31.90 1wfy s GLU 10 CO 0.26 -1.31 0.00 0.28 0.02 0.00 0.00 175.26 174.51 1wfy n VAL 11 N 2.70 0.00 -3.31 2.63 0.31 -1.26 -4.87 118.33 114.52 1wfy n VAL 11 Ca 0.22 0.02 -0.30 0.00 -0.01 0.00 0.00 64.34 64.27 1wfy n VAL 11 Cb 0.41 -0.09 0.03 0.00 -0.91 0.00 0.00 33.84 33.27 1wfy n VAL 11 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1wfy n ARG 12 N 0.00 -1.50 -3.08 5.55 5.12 -1.26 -3.52 116.66 117.97 1wfy n ARG 12 Ca 0.00 1.21 -0.15 0.00 -1.93 0.00 0.00 57.85 56.98 1wfy n ARG 12 Cb 0.00 -1.68 0.02 0.00 -1.16 0.00 0.00 32.46 29.63 1wfy n ARG 12 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1wfy n LEU 13 N 0.12 -6.20 -4.71 0.55 4.77 -1.26 -4.84 117.00 105.43 1wfy n LEU 13 Ca -0.07 0.22 -0.42 0.00 -0.03 0.00 0.00 56.01 55.71 1wfy n LEU 13 Cb 0.62 -2.87 -0.03 0.00 -2.33 0.00 0.00 43.42 38.80 1wfy n LEU 13 CO 0.42 -1.51 1.30 -0.70 -1.33 0.00 0.00 177.39 175.57 1wfy s GLU 14 N -2.74 4.19 0.32 3.23 2.12 -1.23 -5.00 118.70 119.58 1wfy s GLU 14 Ca 0.24 2.43 0.08 0.00 0.36 0.00 0.00 54.97 58.08 1wfy s GLU 14 Cb -0.05 -3.26 -0.06 0.00 0.26 0.00 0.00 34.13 31.02 1wfy s GLU 14 CO 0.80 -0.68 -0.08 -0.80 -0.54 0.00 0.00 175.26 173.96 1wfy s ASN 15 N 1.53 3.32 -0.05 -1.70 0.01 -1.26 -5.15 114.94 111.64 1wfy s ASN 15 Ca 0.73 -1.20 0.01 0.00 -0.71 0.00 0.00 52.86 51.70 1wfy s ASN 15 Cb -0.45 -0.27 0.02 0.00 0.41 0.00 0.00 41.25 40.96 1wfy s ASN 15 CO 0.32 -0.26 -0.07 -0.13 -1.51 0.00 0.00 177.10 175.45 1wfy s ARG 16 N -3.66 1.05 0.12 -0.60 0.52 -1.26 -4.19 118.95 110.93 1wfy s ARG 16 Ca 0.31 -0.19 0.02 0.00 -0.52 0.00 0.00 55.73 55.36 1wfy s ARG 16 Cb 0.03 -0.98 -0.04 0.00 0.52 0.00 0.00 34.95 34.49 1wfy s ARG 16 CO 0.15 -0.04 0.21 0.96 0.02 0.00 0.00 175.30 176.59 1wfy s ILE 17 N 0.81 5.06 0.15 1.52 -5.25 0.01 -4.90 121.20 118.59 1wfy s ILE 17 Ca -0.12 -0.71 0.06 0.00 -0.99 0.00 0.00 60.65 58.89 1wfy s ILE 17 Cb -0.15 -3.55 -0.04 0.00 2.95 0.00 0.00 42.46 41.68 1wfy s ILE 17 CO 0.01 -0.01 -0.14 -0.89 -1.79 0.00 0.00 174.94 172.12 1wfy s THR 18 N -1.64 1.47 0.15 8.37 2.01 -1.26 -1.60 115.64 123.14 1wfy s THR 18 Ca 0.33 -1.90 -0.16 0.00 0.31 0.00 0.00 61.69 60.27 1wfy s THR 18 Cb -0.11 -1.73 0.03 0.00 0.01 0.00 0.00 72.50 70.69 1wfy s THR 18 CO 0.26 -0.49 0.44 0.72 -0.69 0.00 0.00 174.62 174.87 1wfy s PHE 19 N -2.48 -0.14 0.31 4.92 -0.71 0.10 -4.44 117.98 115.54 1wfy s PHE 19 Ca 0.14 -0.18 0.06 0.00 -1.04 0.00 0.00 56.93 55.91 1wfy s PHE 19 Cb -0.03 0.30 -0.02 0.00 -1.21 0.00 0.00 43.02 42.06 1wfy s PHE 19 CO 0.04 -0.79 0.41 -0.65 -1.34 0.00 0.00 175.22 172.90 1wfy s GLN 20 N -3.84 3.12 0.01 1.99 -0.21 -1.26 0.87 119.66 120.34 1wfy s GLN 20 Ca 0.06 -1.00 0.00 0.00 0.02 0.00 0.00 55.36 54.44 1wfy s GLN 20 Cb 0.01 -2.78 -0.01 0.00 1.00 0.00 0.00 33.01 31.23 1wfy s GLN 20 CO -0.08 0.15 -0.02 -1.17 -2.12 0.00 0.00 175.29 172.06 1wfy s LEU 21 N -4.10 2.10 -0.35 2.90 0.20 0.28 -2.25 118.68 117.46 1wfy s LEU 21 Ca 0.42 -0.21 -0.12 0.00 0.69 0.00 0.00 54.13 54.91 1wfy s LEU 21 Cb -0.09 -0.01 -0.00 0.00 -0.43 0.00 0.00 46.19 45.66 1wfy s LEU 21 CO 0.30 -0.10 0.23 -0.70 -0.29 0.00 0.00 176.35 175.79 1wfy s GLU 22 N -0.59 3.31 -1.36 1.98 2.12 0.27 -0.51 118.70 123.92 1wfy s GLU 22 Ca -0.06 -0.76 -0.11 0.00 0.36 0.00 0.00 54.97 54.40 1wfy s GLU 22 Cb -0.04 -3.78 0.11 0.00 0.26 0.00 0.00 34.13 30.67 1wfy s GLU 22 CO -0.00 -0.52 2.05 1.28 -0.54 0.00 0.00 175.26 177.53 1wfy n LEU 23 N 5.08 6.81 -4.29 2.70 4.77 0.11 0.01 117.00 132.19 1wfy n LEU 23 Ca -0.12 -4.44 -0.41 0.00 -0.03 0.00 0.00 56.01 51.01 1wfy n LEU 23 Cb 0.49 -1.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.03 1wfy n LEU 23 CO 0.37 1.30 -0.48 0.52 -1.33 0.00 0.00 177.39 177.76 1wfy n VAL 24 N 4.02 0.49 0.00 4.08 0.31 -1.18 -0.90 118.33 125.14 1wfy n VAL 24 Ca 0.46 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 64.29 1wfy n VAL 24 Cb 0.37 -0.05 0.00 0.00 -0.91 0.00 0.00 33.84 33.25 1wfy n VAL 24 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wfy n GLY 25 N 2.36 2.69 0.06 2.92 0.00 -1.26 -4.55 105.19 107.41 1wfy n GLY 25 Ca 0.10 -0.04 0.01 0.00 0.00 0.00 0.00 46.02 46.09 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 0.00 1.24 -4.24 0.99 7.94 -0.08 -5.00 117.00 117.85 1wfy n LEU 26 Ca 0.00 -1.12 -0.31 0.00 -1.11 0.00 0.00 56.01 53.47 1wfy n LEU 26 Cb 0.00 -0.00 -0.09 0.00 0.53 0.00 0.00 43.42 43.86 1wfy n LEU 26 CO 0.00 0.30 -0.40 -1.84 -1.11 0.00 0.00 177.39 174.33 1wfy n GLU 27 N 0.03 -0.91 -4.94 1.96 0.28 -0.92 -4.90 120.64 111.24 1wfy n GLU 27 Ca 0.01 0.09 -0.33 0.00 -0.16 0.00 0.00 57.16 56.78 1wfy n GLU 27 Cb 0.06 -3.56 -0.15 0.00 1.43 0.00 0.00 31.44 29.23 1wfy n GLU 27 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 177.13 177.47 1wfy s ARG 28 N -7.10 2.97 -0.24 3.44 3.52 -1.24 -4.95 118.95 115.35 1wfy s ARG 28 Ca 0.13 -0.75 -0.10 0.00 -0.13 0.00 0.00 55.73 54.88 1wfy s ARG 28 Cb -0.08 -2.45 -0.05 0.00 -1.56 0.00 0.00 34.95 30.81 1wfy s ARG 28 CO 0.95 0.35 0.16 0.08 -0.81 0.00 0.00 175.30 176.03 1wfy s VAL 29 N -0.02 5.32 0.30 7.11 1.01 -1.26 0.08 120.40 132.94 1wfy s VAL 29 Ca -0.05 0.17 0.10 0.00 0.00 0.00 0.00 61.98 62.20 1wfy s VAL 29 Cb -0.14 -3.49 -0.05 0.00 0.00 0.00 0.00 36.38 32.69 1wfy s VAL 29 CO 0.04 0.33 -0.08 0.68 0.00 0.00 0.00 175.10 176.07 1wfy s VAL 30 N 1.16 2.70 -0.01 2.92 -7.23 0.33 -4.91 120.40 115.35 1wfy s VAL 30 Ca 0.07 -2.15 0.08 0.00 -1.81 0.00 0.00 61.98 58.17 1wfy s VAL 30 Cb -0.14 -2.61 -0.02 0.00 0.56 0.00 0.00 36.38 34.17 1wfy s VAL 30 CO 0.05 -0.31 -0.25 -0.60 -0.31 0.00 0.00 175.10 173.69 1wfy s ARG 31 N -3.62 2.00 -0.03 4.82 6.06 -1.26 0.10 118.95 127.02 1wfy s ARG 31 Ca 0.32 -0.90 0.05 0.00 -2.50 0.00 0.00 55.73 52.70 1wfy s ARG 31 Cb -0.03 -1.95 -0.01 0.00 0.06 0.00 0.00 34.95 33.03 1wfy s ARG 31 CO 0.17 0.53 -0.17 0.42 -2.50 0.00 0.00 175.30 173.75 1wfy s ILE 32 N -0.60 1.41 -0.05 4.11 1.01 0.25 -4.97 121.20 122.37 1wfy s ILE 32 Ca 0.10 -0.73 0.06 0.00 0.00 0.00 0.00 60.65 60.07 1wfy s ILE 32 Cb -0.10 -1.19 -0.01 0.00 0.01 0.00 0.00 42.46 41.17 1wfy s ILE 32 CO -0.01 0.40 -0.23 -0.94 0.00 0.00 0.00 174.94 174.17 1wfy s SER 33 N -0.17 2.77 -0.14 3.58 1.04 -1.26 -0.72 113.70 118.80 1wfy s SER 33 Ca 0.01 -0.45 -0.34 0.00 0.48 0.00 0.00 55.95 55.65 1wfy s SER 33 Cb -0.09 -0.67 0.14 0.00 0.10 0.00 0.00 66.02 65.49 1wfy s SER 33 CO 0.01 0.23 1.29 0.00 0.98 0.00 0.00 173.24 175.75 1wfy s ALA 34 N -0.19 -2.19 0.70 5.32 0.00 -0.63 -5.02 121.76 119.75 1wfy s ALA 34 Ca -0.01 1.31 -0.16 0.00 0.00 0.00 0.00 51.96 53.10 1wfy s ALA 34 Cb -0.12 0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.04 1wfy s ALA 34 CO 0.02 -0.77 1.23 -1.59 0.00 0.00 0.00 175.76 174.65 1wfy s LYS 35 N -2.31 2.27 -0.07 0.00 0.00 -1.26 -0.81 119.74 117.55 1wfy s LYS 35 Ca 0.12 1.84 -0.17 0.00 0.00 0.00 0.00 55.97 57.76 1wfy s LYS 35 Cb 0.02 -1.84 -0.13 0.00 0.00 0.00 0.00 37.83 35.88 1wfy s LYS 35 CO -0.04 -1.76 0.66 -1.00 0.00 0.00 0.00 175.35 173.21 1wfy h PRO 36 N -0.04 -0.19 -0.92 1.78 0.13 -1.87 -3.33 132.00 127.56 1wfy h PRO 36 Ca -0.49 0.01 0.14 0.00 -0.87 0.00 0.00 66.00 64.79 1wfy h PRO 36 Cb 1.31 0.04 -0.14 0.00 0.13 0.00 0.00 31.00 32.34 1wfy h PRO 36 CO 0.51 0.19 -0.37 0.25 -0.23 0.00 0.00 178.00 178.34 1wfy n THR 37 N -4.89 -0.50 -0.88 1.56 -2.24 -1.26 -2.89 114.28 103.19 1wfy n THR 37 Ca -0.06 2.15 -0.36 0.00 -2.27 0.00 0.00 64.05 63.51 1wfy n THR 37 Cb 0.23 -2.83 0.08 0.00 -2.10 0.00 0.00 70.33 65.72 1wfy n THR 37 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1wfy n LYS 38 N -5.33 -0.48 -1.70 -0.78 5.02 -1.25 -4.65 118.16 108.98 1wfy n LYS 38 Ca 0.09 -0.13 -0.13 0.00 -2.02 0.00 0.00 58.31 56.12 1wfy n LYS 38 Cb 0.36 -1.31 0.07 0.00 -0.02 0.00 0.00 35.03 34.12 1wfy n LYS 38 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1wfy n ARG 39 N 0.67 0.20 0.09 1.97 1.74 -1.26 -2.53 116.66 117.54 1wfy n ARG 39 Ca -0.00 -1.52 -0.01 0.00 -0.77 0.00 0.00 57.85 55.55 1wfy n ARG 39 Cb 0.65 -0.37 -0.04 0.00 -1.02 0.00 0.00 32.46 31.67 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 0.19 0.55 3.38 0.35 -2.25 115.31 117.53 1wfy h LEU 40 Ca -0.19 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.44 1wfy h LEU 40 Cb 0.68 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.45 1wfy h LEU 40 CO 0.20 0.67 -1.64 0.06 0.09 0.00 0.00 178.44 177.81 1wfy h GLN 41 N 0.00 0.41 0.00 1.13 3.07 -1.82 -2.37 115.11 115.53 1wfy h GLN 41 Ca -0.06 -0.70 -0.08 0.00 0.09 0.00 0.00 58.65 57.90 1wfy h GLN 41 Cb 1.56 0.26 -0.01 0.00 0.08 0.00 0.00 27.48 29.37 1wfy h GLN 41 CO 0.08 1.32 -0.39 0.93 0.09 0.00 0.00 178.83 180.85 1wfy h GLU 42 N 0.11 0.00 0.00 0.06 4.39 -1.88 0.36 114.58 117.62 1wfy h GLU 42 Ca -0.30 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.27 1wfy h GLU 42 Cb 2.10 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.74 1wfy h GLU 42 CO 0.20 0.39 -0.87 0.00 -1.16 0.00 0.00 179.01 177.57 1wfy h ALA 43 N 1.61 0.66 0.00 3.43 0.00 -1.49 -3.24 119.26 120.23 1wfy h ALA 43 Ca -0.00 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1wfy h ALA 43 Cb 0.97 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1wfy h ALA 43 CO 0.05 0.70 -1.01 1.28 0.00 0.00 0.00 179.25 180.27 1wfy n LEU 44 N -3.07 0.62 -0.10 0.00 7.99 -0.89 -4.18 117.00 117.38 1wfy n LEU 44 Ca -0.02 0.07 -0.06 0.00 -0.01 0.00 0.00 56.01 55.99 1wfy n LEU 44 Cb 0.77 -0.10 0.00 0.00 -0.11 0.00 0.00 43.42 43.98 1wfy n LEU 44 CO 0.41 -0.01 0.79 1.56 -1.51 0.00 0.00 177.39 178.64 1wfy h GLN 45 N 0.00 -0.01 0.00 3.23 1.08 -0.31 1.62 115.11 120.71 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 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.22 1wfy h GLN 45 CO 0.00 -0.01 0.00 -0.35 -0.95 0.00 0.00 178.83 177.52 1wfy n PRO 46 N -5.28 0.52 -0.14 1.46 -0.04 -1.26 -1.76 135.00 128.49 1wfy n PRO 46 Ca 0.01 0.04 -0.27 0.00 -0.04 0.00 0.00 63.50 63.23 1wfy n PRO 46 Cb 0.20 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.06 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 -1.15 1.52 0.01 0.52 2.08 0.12 -3.59 119.36 118.87 1wfy n ILE 47 Ca 0.14 -0.43 -0.12 0.00 0.56 0.00 0.00 62.75 62.91 1wfy n ILE 47 Cb 0.14 -1.78 -0.07 0.00 -0.75 0.00 0.00 39.64 37.17 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 -0.79 0.04 -1.45 1.39 3.38 0.22 0.45 115.31 118.55 1wfy h LEU 48 Ca -0.68 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.15 1wfy h LEU 48 Cb 1.68 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 42.39 1wfy h LEU 48 CO -0.36 0.16 0.26 0.00 0.09 0.00 0.00 178.44 178.60 1wfy h ALA 49 N 0.88 1.58 0.00 1.53 0.00 -1.50 1.86 119.26 123.62 1wfy h ALA 49 Ca 0.01 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1wfy h ALA 49 Cb 0.13 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1wfy h ALA 49 CO -0.00 0.35 0.00 1.17 0.00 0.00 0.00 179.25 180.77 1wfy n LYS 50 N -4.42 0.09 -0.06 0.00 4.81 -0.87 -2.72 118.16 114.98 1wfy n LYS 50 Ca 0.04 0.09 0.03 0.00 -0.87 0.00 0.00 58.31 57.59 1wfy n LYS 50 Cb 0.09 -1.61 0.06 0.00 0.02 0.00 0.00 35.03 33.59 1wfy n LYS 50 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1wfy n HIS 51 N -1.77 0.15 -1.19 5.64 8.25 0.15 -4.95 115.22 121.50 1wfy n HIS 51 Ca 0.06 -0.35 -0.07 0.00 -0.26 0.00 0.00 57.72 57.10 1wfy n HIS 51 Cb 0.37 -0.03 -0.03 0.00 1.12 0.00 0.00 29.99 31.42 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 0.07 0.73 0.00 -1.41 0.00 0.50 -4.96 105.19 100.12 1wfy n GLY 52 Ca 0.05 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.76 0.00 -3.94 0.99 4.77 0.51 -4.93 117.00 113.64 1wfy n LEU 53 Ca -0.07 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.81 1wfy n LEU 53 Cb 0.45 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.52 1wfy n LEU 53 CO 0.10 -0.20 0.32 -0.44 -1.33 0.00 0.00 177.39 175.85 1wfy s SER 54 N -1.00 0.21 0.18 -1.43 0.01 -1.26 -4.15 113.70 106.27 1wfy s SER 54 Ca 0.00 -1.12 0.18 0.00 1.31 0.00 0.00 55.95 56.32 1wfy s SER 54 Cb 0.00 0.72 -0.01 0.00 0.21 0.00 0.00 66.02 66.93 1wfy s SER 54 CO 0.00 -1.40 1.11 -0.07 0.41 0.00 0.00 173.24 173.29 1wfy h LEU 55 N 2.09 0.00 -3.90 2.44 3.38 -1.96 -3.15 115.31 114.22 1wfy h LEU 55 Ca -0.28 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.22 1wfy h LEU 55 Cb 1.25 0.00 -0.28 0.00 0.09 0.00 0.00 40.66 41.72 1wfy h LEU 55 CO 0.36 0.38 0.54 -0.67 0.09 0.00 0.00 178.44 179.14 1wfy n ASP 56 N -2.95 3.63 0.04 -0.43 2.03 -1.26 -4.39 116.55 113.22 1wfy n ASP 56 Ca -0.03 -3.65 0.00 0.00 0.52 0.00 0.00 54.79 51.63 1wfy n ASP 56 Cb 0.72 -0.81 0.00 0.00 -0.72 0.00 0.00 41.12 40.31 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 -1.14 0.00 -3.14 -0.67 1.13 -1.23 -5.07 117.38 107.26 1wfy n GLN 57 Ca 0.56 0.00 -0.39 0.00 -1.94 0.00 0.00 57.00 55.23 1wfy n GLN 57 Cb 1.55 -0.21 -0.06 0.00 0.11 0.00 0.00 30.24 31.63 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 -2.00 4.73 -0.22 5.09 -7.23 -1.19 -3.95 120.40 115.63 1wfy s VAL 58 Ca 0.00 1.39 -0.05 0.00 -1.81 0.00 0.00 61.98 61.51 1wfy s VAL 58 Cb 0.00 -3.99 -0.02 0.00 0.56 0.00 0.00 36.38 32.93 1wfy s VAL 58 CO 0.00 0.47 -0.00 -0.69 -0.31 0.00 0.00 175.10 174.56 1wfy s VAL 59 N -0.60 3.78 -0.09 1.32 1.01 -1.09 -4.86 120.40 119.87 1wfy s VAL 59 Ca 0.33 -0.36 -0.09 0.00 0.00 0.00 0.00 61.98 61.85 1wfy s VAL 59 Cb -0.20 -2.73 -0.04 0.00 0.00 0.00 0.00 36.38 33.41 1wfy s VAL 59 CO 0.20 0.41 0.21 -0.22 0.00 0.00 0.00 175.10 175.71 1wfy s LEU 60 N 1.31 4.41 -0.30 3.92 1.98 -1.26 -1.40 118.68 127.34 1wfy s LEU 60 Ca 0.04 0.60 -0.18 0.00 -2.89 0.00 0.00 54.13 51.69 1wfy s LEU 60 Cb -0.15 -2.21 0.19 0.00 0.66 0.00 0.00 46.19 44.69 1wfy s LEU 60 CO 0.00 0.38 1.24 -1.38 -1.89 0.00 0.00 176.35 174.70 1wfy s HIS 61 N -0.99 -0.16 0.97 5.38 -3.43 -0.84 -0.15 115.29 116.08 1wfy s HIS 61 Ca 0.17 0.28 -0.13 0.00 -0.80 0.00 0.00 55.06 54.57 1wfy s HIS 61 Cb -0.13 0.09 0.04 0.00 -1.43 0.00 0.00 32.58 31.16 1wfy s HIS 61 CO 0.06 -0.08 0.34 0.54 -2.00 0.00 0.00 174.74 173.61 1wfy n ARG 62 N 4.35 -0.47 -2.33 -0.38 1.74 -1.26 -3.29 116.66 115.03 1wfy n ARG 62 Ca -0.09 -0.10 -0.42 0.00 -0.77 0.00 0.00 57.85 56.48 1wfy n ARG 62 Cb 0.55 -1.83 -0.03 0.00 -1.02 0.00 0.00 32.46 30.14 1wfy n ARG 62 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1wfy s PRO 63 N -3.60 3.29 0.00 5.56 0.04 -1.26 -3.36 135.00 135.67 1wfy s PRO 63 Ca 0.57 0.60 0.00 0.00 0.04 0.00 0.00 61.00 62.21 1wfy s PRO 63 Cb -0.20 -4.14 0.00 0.00 0.04 0.00 0.00 34.50 30.21 1wfy s PRO 63 CO 0.67 -1.94 0.00 0.41 0.04 0.00 0.00 177.00 176.18 1wfy n GLY 64 N 5.28 3.46 3.19 0.56 0.00 -1.26 -5.11 105.19 111.31 1wfy n GLY 64 Ca 0.14 -0.67 -0.35 0.00 0.00 0.00 0.00 46.02 45.15 1wfy n GLY 64 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wfy n GLU 65 N 0.00 -0.15 -0.00 1.61 -0.58 -1.21 -4.98 120.64 115.32 1wfy n GLU 65 Ca 0.00 -0.03 -0.00 0.00 -0.42 0.00 0.00 57.16 56.71 1wfy n GLU 65 Cb 0.00 -1.39 -0.00 0.00 -0.57 0.00 0.00 31.44 29.47 1wfy n GLU 65 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1wfy n LYS 66 N 0.55 0.03 -1.26 3.49 0.00 -1.26 -4.95 118.16 114.75 1wfy n LYS 66 Ca 0.02 0.12 -0.30 0.00 0.00 0.00 0.00 58.31 58.15 1wfy n LYS 66 Cb 0.55 -0.66 0.11 0.00 0.00 0.00 0.00 35.03 35.03 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 -1.10 1.78 0.12 1.64 1.11 -1.26 -4.98 119.66 116.97 1wfy s GLN 67 Ca -0.01 0.95 -0.30 0.00 0.01 0.00 0.00 55.36 56.01 1wfy s GLN 67 Cb 0.00 -1.86 -0.06 0.00 -1.01 0.00 0.00 33.01 30.08 1wfy s GLN 67 CO 0.02 -1.92 1.14 -1.25 0.01 0.00 0.00 175.29 173.30 1wfy s PRO 68 N -4.94 4.51 0.80 2.91 0.04 -1.26 -4.89 135.00 132.17 1wfy s PRO 68 Ca 0.62 1.73 -0.11 0.00 0.04 0.00 0.00 61.00 63.28 1wfy s PRO 68 Cb -0.17 -3.31 0.18 0.00 0.04 0.00 0.00 34.50 31.23 1wfy s PRO 68 CO 0.56 -0.09 0.40 -1.33 0.04 0.00 0.00 177.00 176.59 1wfy n MET 69 N 3.13 -2.05 -5.02 4.56 2.81 0.78 -4.97 117.12 116.36 1wfy n MET 69 Ca 0.06 -0.68 -0.32 0.00 -1.81 0.00 0.00 57.70 54.95 1wfy n MET 69 Cb 0.46 -1.11 -0.15 0.00 -0.71 0.00 0.00 33.22 31.71 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 -2.18 3.56 -0.04 7.83 1.11 -1.26 -4.86 116.67 120.83 1wfy s ASP 70 Ca 0.31 -0.41 -0.14 0.00 0.18 0.00 0.00 52.55 52.48 1wfy s ASP 70 Cb -0.05 -1.29 -0.32 0.00 1.07 0.00 0.00 42.92 42.33 1wfy s ASP 70 CO 0.26 0.21 0.77 -0.07 1.18 0.00 0.00 175.17 177.51 1wfy h LEU 71 N 6.38 0.63 -1.68 1.23 3.38 -1.94 -3.29 115.31 120.03 1wfy h LEU 71 Ca -0.28 -0.92 0.45 0.00 0.09 0.00 0.00 57.88 57.22 1wfy h LEU 71 Cb 1.20 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 41.69 1wfy h LEU 71 CO 0.51 1.70 1.27 1.05 0.09 0.00 0.00 178.44 183.06 1wfy h GLU 72 N -0.00 0.00 -7.14 1.13 4.11 -1.95 0.80 114.58 111.53 1wfy h GLU 72 Ca -0.29 0.00 -0.52 0.00 0.07 0.00 0.00 59.36 58.62 1wfy h GLU 72 Cb 2.02 0.00 0.11 0.00 0.50 0.00 0.00 28.75 31.37 1wfy h GLU 72 CO 0.18 0.00 0.42 -0.80 0.07 0.00 0.00 179.01 178.88 1wfy s ASN 73 N -3.90 5.11 0.27 3.06 0.01 -1.24 -4.57 114.94 113.67 1wfy s ASN 73 Ca -0.04 2.22 -0.30 0.00 -0.71 0.00 0.00 52.86 54.03 1wfy s ASN 73 Cb 0.22 -2.58 -0.09 0.00 0.41 0.00 0.00 41.25 39.21 1wfy s ASN 73 CO 0.73 -1.64 1.08 -2.16 -1.51 0.00 0.00 177.10 173.61 1wfy s PRO 74 N -3.65 4.66 0.62 -0.60 0.04 -1.26 -0.42 135.00 134.39 1wfy s PRO 74 Ca 0.73 1.76 0.35 0.00 0.04 0.00 0.00 61.00 63.88 1wfy s PRO 74 Cb -0.26 -3.21 1.99 0.00 0.04 0.00 0.00 34.50 33.07 1wfy s PRO 74 CO 0.36 0.23 2.24 -0.39 0.04 0.00 0.00 177.00 179.48 1wfy h VAL 75 N 3.17 0.29 -0.35 -0.36 -1.51 -1.35 0.09 116.25 116.22 1wfy h VAL 75 Ca -0.46 0.00 0.10 0.00 -1.23 0.00 0.00 66.70 65.11 1wfy h VAL 75 Cb 1.21 0.94 -0.01 0.00 -2.13 0.00 0.00 31.29 31.29 1wfy h VAL 75 CO 0.68 0.00 0.40 -1.28 -1.23 0.00 0.00 177.57 176.13 1wfy h SER 76 N 0.00 0.00 0.60 4.19 0.87 -1.80 0.52 113.55 117.92 1wfy h SER 76 Ca 0.02 0.00 -0.28 0.00 -1.23 0.00 0.00 61.79 60.30 1wfy h SER 76 Cb 0.16 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.10 1wfy h SER 76 CO -0.00 0.00 -1.44 -1.28 -0.53 0.00 0.00 176.83 173.58 1wfy h SER 77 N 0.00 0.21 -1.25 6.23 0.87 -1.30 -3.31 113.55 114.99 1wfy h SER 77 Ca 0.17 -0.29 -0.70 0.00 -1.23 0.00 0.00 61.79 59.74 1wfy h SER 77 Cb 0.96 -0.07 -0.29 0.00 -0.44 0.00 0.00 62.40 62.56 1wfy h SER 77 CO -0.00 1.24 0.88 1.33 -0.53 0.00 0.00 176.83 179.75 1wfy n VAL 78 N -3.34 3.60 -3.23 2.23 0.24 0.17 -4.63 118.33 113.37 1wfy n VAL 78 Ca -0.12 -3.32 -0.25 0.00 -2.04 0.00 0.00 64.34 58.61 1wfy n VAL 78 Cb 1.02 -1.18 -0.06 0.00 -1.47 0.00 0.00 33.84 32.15 1wfy n VAL 78 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1wfy n ALA 79 N -0.82 3.63 0.04 2.33 0.00 -0.61 -4.60 120.51 120.48 1wfy n ALA 79 Ca 0.60 -4.30 0.00 0.00 0.00 0.00 0.00 53.44 49.74 1wfy n ALA 79 Cb 0.56 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 19.16 1wfy n ALA 79 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1wfy n SER 80 N 0.63 -0.81 -5.01 0.00 2.88 -1.26 -4.91 113.62 105.15 1wfy n SER 80 Ca 0.28 0.23 -0.21 0.00 -1.33 0.00 0.00 58.87 57.84 1wfy n SER 80 Cb 0.46 1.02 0.04 0.00 -0.75 0.00 0.00 64.21 64.98 1wfy n SER 80 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1wfy s GLN 81 N -2.00 2.34 0.03 -1.46 -1.52 -1.26 -5.01 119.66 110.77 1wfy s GLN 81 Ca 0.00 -1.67 -0.12 0.00 -1.95 0.00 0.00 55.36 51.62 1wfy s GLN 81 Cb 0.00 -2.56 -0.06 0.00 -0.22 0.00 0.00 33.01 30.18 1wfy s GLN 81 CO 0.00 -0.76 0.38 0.99 -0.25 0.00 0.00 175.29 175.65 1wfy s THR 82 N -2.66 5.10 0.40 -0.19 2.01 -1.26 -4.33 115.64 114.71 1wfy s THR 82 Ca 0.56 0.61 0.08 0.00 0.31 0.00 0.00 61.69 63.25 1wfy s THR 82 Cb -0.05 -3.66 -0.02 0.00 0.01 0.00 0.00 72.50 68.78 1wfy s THR 82 CO 0.35 0.45 0.39 -0.76 -0.69 0.00 0.00 174.62 174.36 1wfy s LEU 83 N -1.45 3.47 -0.07 4.42 1.43 -0.95 -4.57 118.68 120.96 1wfy s LEU 83 Ca 0.27 -0.65 0.02 0.00 -1.03 0.00 0.00 54.13 52.75 1wfy s LEU 83 Cb -0.15 -2.17 0.01 0.00 0.03 0.00 0.00 46.19 43.91 1wfy s LEU 83 CO 0.15 -0.61 -0.14 -0.69 0.23 0.00 0.00 176.35 175.30 1wfy s VAL 84 N -2.42 1.26 -0.08 -1.59 1.01 -1.21 0.97 120.40 118.34 1wfy s VAL 84 Ca 0.48 -0.54 -0.01 0.00 0.00 0.00 0.00 61.98 61.91 1wfy s VAL 84 Cb -0.05 -1.14 -0.03 0.00 0.00 0.00 0.00 36.38 35.16 1wfy s VAL 84 CO 0.28 0.38 -0.03 -0.22 0.00 0.00 0.00 175.10 175.51 1wfy s LEU 85 N 0.70 3.37 -0.40 3.92 1.98 0.10 -1.98 118.68 126.37 1wfy s LEU 85 Ca -0.14 0.06 0.03 0.00 -2.89 0.00 0.00 54.13 51.19 1wfy s LEU 85 Cb -0.16 -1.75 0.11 0.00 0.66 0.00 0.00 46.19 45.05 1wfy s LEU 85 CO 0.03 0.37 0.15 -0.62 -1.89 0.00 0.00 176.35 174.39 1wfy s ASP 86 N -0.82 4.30 0.79 3.68 2.15 -0.49 -3.13 116.67 123.15 1wfy s ASP 86 Ca 0.12 -2.37 -0.12 0.00 0.43 0.00 0.00 52.55 50.61 1wfy s ASP 86 Cb -0.11 -1.37 0.07 0.00 -0.30 0.00 0.00 42.92 41.21 1wfy s ASP 86 CO 0.02 -0.33 1.14 0.42 -0.17 0.00 0.00 175.17 176.26 1wfy s THR 87 N 0.62 2.61 0.59 1.71 -4.23 -1.26 -2.67 115.64 113.02 1wfy s THR 87 Ca 0.14 0.24 -0.16 0.00 -1.18 0.00 0.00 61.69 60.73 1wfy s THR 87 Cb -0.22 -2.60 -0.04 0.00 1.34 0.00 0.00 72.50 70.99 1wfy s THR 87 CO -0.08 -0.22 1.05 -2.16 -0.54 0.00 0.00 174.62 172.67 1wfy s PRO 88 N -4.43 3.37 -0.84 3.99 0.04 -1.25 -4.90 135.00 130.97 1wfy s PRO 88 Ca 0.67 1.16 -0.07 0.00 0.04 0.00 0.00 61.00 62.81 1wfy s PRO 88 Cb -0.23 -2.04 -0.11 0.00 0.04 0.00 0.00 34.50 32.16 1wfy s PRO 88 CO 0.52 -0.76 2.60 -0.35 0.04 0.00 0.00 177.00 179.04 1wfy n PRO 89 N -2.04 2.38 0.00 0.56 -0.04 -1.26 -4.25 135.00 130.35 1wfy n PRO 89 Ca 0.08 -1.46 0.00 0.00 -0.04 0.00 0.00 63.50 62.09 1wfy n PRO 89 Cb 0.53 -2.37 0.00 0.00 -0.04 0.00 0.00 33.50 31.62 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 3.52 0.00 0.09 3.54 -0.08 -1.26 -5.08 116.55 117.28 1wfy n ASP 90 Ca 0.51 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.79 1wfy n ASP 90 Cb 0.34 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.80 1wfy n ASP 90 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1wfy n ALA 91 N 0.00 2.90 0.03 -1.67 0.00 -1.26 -5.05 120.51 115.46 1wfy n ALA 91 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 1wfy n ALA 91 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 1wfy n ALA 91 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1wfy n LYS 92 N -3.07 0.01 -1.24 0.00 0.00 -1.26 -5.14 118.16 107.47 1wfy n LYS 92 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 58.31 58.46 1wfy n LYS 92 Cb 0.00 -0.33 -0.05 0.00 0.00 0.00 0.00 35.03 34.65 1wfy n LYS 92 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.40 177.28 1wfy n MET 93 N -3.12 -2.43 -4.32 1.64 0.00 -1.26 -4.93 117.12 102.69 1wfy n MET 93 Ca -0.00 1.83 -0.25 0.00 -0.00 0.00 0.00 57.70 59.29 1wfy n MET 93 Cb 0.01 -3.02 -0.12 0.00 0.00 0.00 0.00 33.22 30.09 1wfy n MET 93 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 1wfy s SER 94 N -6.28 2.73 -0.69 6.12 0.01 -1.26 -5.04 113.70 109.29 1wfy s SER 94 Ca 0.00 -0.73 -0.36 0.00 1.31 0.00 0.00 55.95 56.17 1wfy s SER 94 Cb 0.00 -0.16 -0.19 0.00 0.21 0.00 0.00 66.02 65.88 1wfy s SER 94 CO 0.00 0.07 2.27 1.21 0.41 0.00 0.00 173.24 177.19 1wfy n GLU 95 N 0.90 0.00 -2.98 12.44 2.13 -1.26 -4.88 120.64 126.99 1wfy n GLU 95 Ca -0.18 0.00 -0.19 0.00 0.66 0.00 0.00 57.16 57.45 1wfy n GLU 95 Cb 0.54 -1.42 0.04 0.00 0.27 0.00 0.00 31.44 30.86 1wfy n GLU 95 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1wfy s ALA 96 N 6.96 4.53 -0.40 4.31 0.00 -1.26 -5.10 121.76 130.80 1wfy s ALA 96 Ca 1.21 -1.85 0.02 0.00 0.00 0.00 0.00 51.96 51.33 1wfy s ALA 96 Cb -1.32 -1.60 0.19 0.00 0.00 0.00 0.00 23.12 20.38 1wfy s ALA 96 CO 0.55 -0.60 0.80 0.50 0.00 0.00 0.00 175.76 177.01 1wfy s ARG 97 N -4.54 0.64 0.18 0.00 3.00 -1.26 -5.16 118.95 111.81 1wfy s ARG 97 Ca 0.59 -0.33 0.08 0.00 -1.00 0.00 0.00 55.73 55.06 1wfy s ARG 97 Cb -0.08 0.04 -0.04 0.00 0.00 0.00 0.00 34.95 34.87 1wfy s ARG 97 CO 0.36 -0.88 -0.05 0.45 0.00 0.00 0.00 175.30 175.19 1wfy s SER 98 N 1.64 4.50 0.49 -2.12 0.15 -1.26 -5.13 113.70 111.97 1wfy s SER 98 Ca 0.19 -0.50 -0.01 0.00 0.70 0.00 0.00 55.95 56.32 1wfy s SER 98 Cb 0.00 -0.86 -0.00 0.00 -1.71 0.00 0.00 66.02 63.45 1wfy s SER 98 CO -0.09 0.09 0.74 -0.44 1.20 0.00 0.00 173.24 174.73 1wfy s SER 99 N -2.94 5.77 -0.30 5.45 0.01 -1.26 -5.11 113.70 115.33 1wfy s SER 99 Ca 0.26 0.41 -0.13 0.00 1.31 0.00 0.00 55.95 57.80 1wfy s SER 99 Cb -0.09 -1.58 0.15 0.00 0.21 0.00 0.00 66.02 64.71 1wfy s SER 99 CO 0.17 -0.80 0.86 -0.83 0.41 0.00 0.00 173.24 173.05 1wfy s GLY 100 N -4.24 -0.41 0.85 3.44 0.00 -1.26 -5.17 107.32 100.53 1wfy s GLY 100 Ca 0.50 2.77 -0.12 0.00 0.00 0.00 0.00 44.72 47.87 1wfy s GLY 100 CO 0.40 3.18 1.12 2.56 0.00 0.00 0.00 173.10 180.36 1wfy s PRO 101 N 2.63 1.65 0.60 2.90 0.04 -1.26 -5.08 135.00 136.48 1wfy s PRO 101 Ca -0.04 0.48 0.09 0.00 0.04 0.00 0.00 61.00 61.57 1wfy s PRO 101 Cb -0.08 -1.88 0.10 0.00 0.04 0.00 0.00 34.50 32.67 1wfy s PRO 101 CO -0.18 -1.88 0.83 -1.54 0.04 0.00 0.00 177.00 174.26 1wfy s SER 102 N -3.96 4.99 0.18 6.66 1.04 -1.26 -5.14 113.70 116.20 1wfy s SER 102 Ca 0.62 -0.83 0.02 0.00 0.48 0.00 0.00 55.95 56.24 1wfy s SER 102 Cb -0.15 0.33 -0.05 0.00 0.10 0.00 0.00 66.02 66.26 1wfy s SER 102 CO 0.54 -1.43 -0.01 -0.94 0.98 0.00 0.00 173.24 172.37 1wfy s SER 103 N -4.69 1.35 0.00 7.02 1.04 -1.26 -5.37 113.70 111.78 1wfy s SER 103 Ca 0.63 -1.16 0.00 0.00 0.48 0.00 0.00 55.95 55.90 1wfy s SER 103 Cb -0.05 0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.16 1wfy s SER 103 CO 0.40 -0.54 0.00 0.61 0.98 0.00 0.00 173.24 174.69