#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 -3.11 -1.32 1.61 7.64 -1.26 -5.17 113.62 112.02 1wfy n SER 2 Ca 0.00 0.74 0.16 0.00 1.01 0.00 0.00 58.87 60.78 1wfy n SER 2 Cb 0.00 2.97 -0.06 0.00 -1.01 0.00 0.00 64.21 66.10 1wfy n SER 2 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1wfy n SER 3 N -3.35 -7.27 0.00 6.43 3.41 -1.26 -5.07 113.62 106.52 1wfy n SER 3 Ca 0.00 0.97 0.00 0.00 -0.26 0.00 0.00 58.87 59.58 1wfy n SER 3 Cb 0.00 -4.31 0.00 0.00 -0.26 0.00 0.00 64.21 59.64 1wfy n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wfy n GLY 4 N -4.02 3.52 3.60 5.00 0.00 -1.26 -5.17 105.19 106.85 1wfy n GLY 4 Ca -0.04 -1.80 0.01 0.00 0.00 0.00 0.00 46.02 44.18 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 0.00 -0.04 -0.01 1.61 1.04 -1.26 -5.19 113.70 109.85 1wfy s SER 5 Ca 0.00 -0.04 -0.30 0.00 0.48 0.00 0.00 55.95 56.09 1wfy s SER 5 Cb 0.00 0.07 0.12 0.00 0.10 0.00 0.00 66.02 66.31 1wfy s SER 5 CO 0.00 -0.12 1.27 -0.44 0.98 0.00 0.00 173.24 174.93 1wfy s SER 6 N -2.63 -0.06 -0.23 7.02 0.01 -1.26 -5.18 113.70 111.37 1wfy s SER 6 Ca 0.13 -0.15 -0.19 0.00 1.31 0.00 0.00 55.95 57.06 1wfy s SER 6 Cb 0.04 0.18 0.06 0.00 0.21 0.00 0.00 66.02 66.51 1wfy s SER 6 CO -0.05 -0.33 0.60 -0.83 0.41 0.00 0.00 173.24 173.05 1wfy s GLY 7 N -2.98 -0.48 -0.30 3.44 0.00 -1.26 -5.15 107.32 100.59 1wfy s GLY 7 Ca 0.14 1.84 -0.15 0.00 0.00 0.00 0.00 44.72 46.55 1wfy s GLY 7 CO -0.04 1.70 0.99 -0.35 0.00 0.00 0.00 173.10 175.40 1wfy s ASP 8 N 0.72 -0.55 -0.14 1.64 -1.08 -1.26 -5.06 116.67 110.95 1wfy s ASP 8 Ca -0.03 0.79 -0.34 0.00 -0.52 0.00 0.00 52.55 52.45 1wfy s ASP 8 Cb -0.05 1.50 0.14 0.00 -1.46 0.00 0.00 42.92 43.06 1wfy s ASP 8 CO -0.05 -0.11 1.36 0.00 0.52 0.00 0.00 175.17 176.88 1wfy s GLN 9 N 2.06 0.15 0.04 4.34 -2.07 -1.26 -5.18 119.66 117.75 1wfy s GLN 9 Ca -0.05 -0.08 0.04 0.00 -1.82 0.00 0.00 55.36 53.46 1wfy s GLN 9 Cb -0.05 0.06 -0.02 0.00 -1.09 0.00 0.00 33.01 31.90 1wfy s GLN 9 CO -0.16 -0.07 -0.12 -1.21 -1.32 0.00 0.00 175.29 172.40 1wfy s GLU 10 N -2.18 0.80 0.20 9.60 2.02 -1.26 -5.14 118.70 122.73 1wfy s GLU 10 Ca 0.13 -0.75 -0.02 0.00 0.02 0.00 0.00 54.97 54.35 1wfy s GLU 10 Cb 0.04 -0.76 -0.04 0.00 0.10 0.00 0.00 34.13 33.47 1wfy s GLU 10 CO -0.05 0.18 0.16 0.14 0.02 0.00 0.00 175.26 175.71 1wfy s VAL 11 N -0.97 0.01 -0.42 2.63 -7.23 -1.26 -5.09 120.40 108.07 1wfy s VAL 11 Ca -0.01 -1.92 -0.45 0.00 -1.81 0.00 0.00 61.98 57.79 1wfy s VAL 11 Cb -0.08 -2.41 -0.19 0.00 0.56 0.00 0.00 36.38 34.26 1wfy s VAL 11 CO 0.01 -0.06 1.63 -2.11 -0.31 0.00 0.00 175.10 174.26 1wfy n ARG 12 N -0.26 0.35 -1.48 4.82 1.85 -1.26 -4.43 116.66 116.26 1wfy n ARG 12 Ca 0.01 0.13 0.19 0.00 -1.00 0.00 0.00 57.85 57.17 1wfy n ARG 12 Cb 0.65 -1.68 -0.07 0.00 -1.05 0.00 0.00 32.46 30.31 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 4.33 -0.91 -3.36 2.89 7.99 -1.26 -4.99 117.00 121.69 1wfy n LEU 13 Ca 0.29 2.08 0.02 0.00 -0.01 0.00 0.00 56.01 58.39 1wfy n LEU 13 Cb 0.00 -4.67 -0.03 0.00 -0.11 0.00 0.00 43.42 38.61 1wfy n LEU 13 CO 0.86 -3.02 0.47 -1.61 -1.51 0.00 0.00 177.39 172.58 1wfy s GLU 14 N -3.36 0.37 0.82 3.23 2.02 -1.26 -5.10 118.70 115.42 1wfy s GLU 14 Ca 0.00 0.84 -0.11 0.00 0.02 0.00 0.00 54.97 55.72 1wfy s GLU 14 Cb 0.00 0.50 0.09 0.00 0.10 0.00 0.00 34.13 34.81 1wfy s GLU 14 CO 0.00 -0.22 1.09 -0.80 0.02 0.00 0.00 175.26 175.35 1wfy s ASN 15 N 2.69 4.11 -0.05 -0.19 -0.87 -1.26 -5.06 114.94 114.31 1wfy s ASN 15 Ca 0.01 1.60 -0.02 0.00 -1.57 0.00 0.00 52.86 52.88 1wfy s ASN 15 Cb -0.09 -2.31 0.04 0.00 -0.02 0.00 0.00 41.25 38.86 1wfy s ASN 15 CO -0.17 -2.25 0.09 -0.13 -2.57 0.00 0.00 177.10 172.07 1wfy s ARG 16 N -4.96 0.00 0.18 -0.60 0.52 -1.26 -4.32 118.95 108.51 1wfy s ARG 16 Ca 0.62 0.33 0.01 0.00 -0.52 0.00 0.00 55.73 56.17 1wfy s ARG 16 Cb -0.17 -0.27 -0.04 0.00 0.52 0.00 0.00 34.95 34.99 1wfy s ARG 16 CO 0.56 -0.21 0.34 0.96 0.02 0.00 0.00 175.30 176.96 1wfy s ILE 17 N 1.46 5.27 0.12 1.52 -5.25 -0.16 -4.86 121.20 119.29 1wfy s ILE 17 Ca -0.05 -0.57 0.06 0.00 -0.99 0.00 0.00 60.65 59.10 1wfy s ILE 17 Cb -0.12 -3.75 -0.04 0.00 2.95 0.00 0.00 42.46 41.50 1wfy s ILE 17 CO -0.04 -0.15 -0.13 -0.89 -1.79 0.00 0.00 174.94 171.93 1wfy s THR 18 N -1.82 1.28 0.13 8.37 2.01 -1.26 -0.91 115.64 123.45 1wfy s THR 18 Ca 0.36 -1.74 -0.15 0.00 0.31 0.00 0.00 61.69 60.47 1wfy s THR 18 Cb -0.11 -1.54 0.03 0.00 0.01 0.00 0.00 72.50 70.89 1wfy s THR 18 CO 0.29 -0.45 0.39 0.72 -0.69 0.00 0.00 174.62 174.87 1wfy s PHE 19 N -2.26 -0.12 0.22 4.92 -0.12 0.83 -4.35 117.98 117.11 1wfy s PHE 19 Ca 0.09 -0.22 0.05 0.00 -0.05 0.00 0.00 56.93 56.80 1wfy s PHE 19 Cb -0.04 0.23 -0.03 0.00 -0.63 0.00 0.00 43.02 42.54 1wfy s PHE 19 CO 0.03 -0.72 0.30 -0.65 -0.05 0.00 0.00 175.22 174.13 1wfy s GLN 20 N -3.83 3.33 0.05 1.99 -0.21 -1.26 0.11 119.66 119.84 1wfy s GLN 20 Ca 0.05 -0.78 0.05 0.00 0.02 0.00 0.00 55.36 54.70 1wfy s GLN 20 Cb 0.02 -2.84 -0.02 0.00 1.00 0.00 0.00 33.01 31.16 1wfy s GLN 20 CO -0.10 0.45 -0.13 -1.17 -2.12 0.00 0.00 175.29 172.22 1wfy s LEU 21 N -3.73 2.21 -0.55 2.90 0.20 0.14 -1.64 118.68 118.20 1wfy s LEU 21 Ca 0.34 -0.51 -0.10 0.00 0.69 0.00 0.00 54.13 54.55 1wfy s LEU 21 Cb -0.09 -0.51 0.14 0.00 -0.43 0.00 0.00 46.19 45.30 1wfy s LEU 21 CO 0.28 -0.03 0.44 -0.70 -0.29 0.00 0.00 176.35 176.05 1wfy s GLU 22 N -1.35 2.74 -0.79 1.98 2.12 0.42 -1.72 118.70 122.09 1wfy s GLU 22 Ca -0.01 -1.94 -0.21 0.00 0.36 0.00 0.00 54.97 53.17 1wfy s GLU 22 Cb -0.09 -4.05 -0.15 0.00 0.26 0.00 0.00 34.13 30.11 1wfy s GLU 22 CO 0.01 -1.23 1.94 1.28 -0.54 0.00 0.00 175.26 176.72 1wfy n LEU 23 N 4.69 4.19 -0.44 2.70 4.77 -1.12 -0.21 117.00 131.57 1wfy n LEU 23 Ca -0.04 -2.91 0.39 0.00 -0.03 0.00 0.00 56.01 53.41 1wfy n LEU 23 Cb 0.41 -1.12 0.66 0.00 -2.33 0.00 0.00 43.42 41.04 1wfy n LEU 23 CO 0.43 -0.28 1.18 0.52 -1.33 0.00 0.00 177.39 177.91 1wfy n VAL 24 N 5.89 -0.27 -0.19 4.08 0.31 -0.87 0.20 118.33 127.47 1wfy n VAL 24 Ca 0.49 1.82 -0.00 0.00 -0.01 0.00 0.00 64.34 66.64 1wfy n VAL 24 Cb 0.39 -2.97 0.10 0.00 -0.91 0.00 0.00 33.84 30.44 1wfy n VAL 24 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1wfy h GLY 25 N 0.00 0.77 -6.21 2.92 0.00 -1.83 -3.40 103.07 95.32 1wfy h GLY 25 Ca 0.87 -0.08 -0.41 0.00 0.00 0.00 0.00 47.33 47.71 1wfy h GLY 25 CO -0.51 -0.06 -0.77 0.48 0.00 0.00 0.00 176.54 175.69 1wfy s LEU 26 N -10.44 1.34 -0.61 3.11 0.05 0.54 -5.07 118.68 107.59 1wfy s LEU 26 Ca -0.13 -0.13 -0.27 0.00 0.05 0.00 0.00 54.13 53.65 1wfy s LEU 26 Cb 0.17 -0.45 -0.11 0.00 -2.05 0.00 0.00 46.19 43.75 1wfy s LEU 26 CO 0.74 -0.05 2.48 -1.84 -0.55 0.00 0.00 176.35 177.13 1wfy n GLU 27 N 4.04 0.79 0.00 1.48 -0.00 -1.25 -4.36 120.64 121.34 1wfy n GLU 27 Ca -0.25 -0.02 0.00 0.00 -0.00 0.00 0.00 57.16 56.90 1wfy n GLU 27 Cb 0.51 -3.00 0.00 0.00 -0.00 0.00 0.00 31.44 28.95 1wfy n GLU 27 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.13 180.02 1wfy n ARG 28 N 8.88 0.00 -4.08 3.44 1.85 -1.26 -5.08 116.66 120.41 1wfy n ARG 28 Ca 0.44 0.00 -0.35 0.00 -1.00 0.00 0.00 57.85 56.94 1wfy n ARG 28 Cb 0.43 0.00 -0.12 0.00 -1.05 0.00 0.00 32.46 31.72 1wfy n ARG 28 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1wfy s VAL 29 N -1.30 4.24 0.34 8.89 1.01 -1.26 -2.79 120.40 129.52 1wfy s VAL 29 Ca 0.00 -0.22 0.08 0.00 0.00 0.00 0.00 61.98 61.84 1wfy s VAL 29 Cb 0.00 -2.91 -0.04 0.00 0.00 0.00 0.00 36.38 33.43 1wfy s VAL 29 CO 0.00 0.44 0.15 0.68 0.00 0.00 0.00 175.10 176.37 1wfy s VAL 30 N 0.77 3.08 -0.02 2.92 -7.23 -0.70 -4.92 120.40 114.29 1wfy s VAL 30 Ca 0.01 -1.68 0.05 0.00 -1.81 0.00 0.00 61.98 58.55 1wfy s VAL 30 Cb -0.14 -2.99 -0.01 0.00 0.56 0.00 0.00 36.38 33.80 1wfy s VAL 30 CO 0.02 -0.19 -0.16 -0.60 -0.31 0.00 0.00 175.10 173.87 1wfy s ARG 31 N -3.85 1.31 -0.03 4.82 6.06 -1.26 0.23 118.95 126.23 1wfy s ARG 31 Ca 0.38 -0.56 0.06 0.00 -2.50 0.00 0.00 55.73 53.10 1wfy s ARG 31 Cb -0.03 -1.25 -0.01 0.00 0.06 0.00 0.00 34.95 33.72 1wfy s ARG 31 CO 0.23 0.32 -0.20 0.42 -2.50 0.00 0.00 175.30 173.57 1wfy s ILE 32 N -0.32 1.60 -0.11 4.11 1.01 0.30 -4.96 121.20 122.83 1wfy s ILE 32 Ca 0.05 -0.84 0.01 0.00 0.00 0.00 0.00 60.65 59.87 1wfy s ILE 32 Cb -0.07 -1.35 0.02 0.00 0.01 0.00 0.00 42.46 41.08 1wfy s ILE 32 CO -0.00 0.45 -0.14 -0.44 0.00 0.00 0.00 174.94 174.81 1wfy s SER 33 N -0.27 2.43 0.11 3.58 0.01 -1.26 -0.12 113.70 118.19 1wfy s SER 33 Ca 0.03 -0.42 -0.25 0.00 1.31 0.00 0.00 55.95 56.61 1wfy s SER 33 Cb -0.10 -1.08 0.08 0.00 0.21 0.00 0.00 66.02 65.13 1wfy s SER 33 CO 0.01 -0.00 0.76 0.00 0.41 0.00 0.00 173.24 174.42 1wfy s ALA 34 N 1.09 -1.64 0.62 1.44 0.00 -0.09 -5.01 121.76 118.18 1wfy s ALA 34 Ca -0.04 0.54 -0.18 0.00 0.00 0.00 0.00 51.96 52.28 1wfy s ALA 34 Cb -0.14 0.68 -0.04 0.00 0.00 0.00 0.00 23.12 23.62 1wfy s ALA 34 CO -0.03 -0.81 1.01 0.36 0.00 0.00 0.00 175.76 176.29 1wfy n LYS 35 N -0.35 0.88 0.05 0.00 0.00 -1.26 -0.99 118.16 116.49 1wfy n LYS 35 Ca -0.11 0.35 -0.08 0.00 -0.00 0.00 0.00 58.31 58.47 1wfy n LYS 35 Cb 0.63 -2.22 -0.05 0.00 -0.00 0.00 0.00 35.03 33.38 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 0.41 -0.23 -0.90 -1.58 0.13 -1.88 -3.32 132.00 124.63 1wfy h PRO 36 Ca -0.49 0.02 0.17 0.00 -0.87 0.00 0.00 66.00 64.82 1wfy h PRO 36 Cb 1.36 0.05 -0.16 0.00 0.13 0.00 0.00 31.00 32.38 1wfy h PRO 36 CO 0.51 0.08 -0.26 0.25 -0.23 0.00 0.00 178.00 178.34 1wfy n THR 37 N -4.92 -0.41 -0.85 1.56 -2.24 -1.26 -2.91 114.28 103.25 1wfy n THR 37 Ca -0.06 2.08 -0.36 0.00 -2.27 0.00 0.00 64.05 63.45 1wfy n THR 37 Cb 0.21 -2.84 0.10 0.00 -2.10 0.00 0.00 70.33 65.69 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 -5.43 -0.73 -2.23 -0.78 4.81 -1.25 -4.68 118.16 107.87 1wfy n LYS 38 Ca 0.13 -0.21 -0.17 0.00 -0.87 0.00 0.00 58.31 57.20 1wfy n LYS 38 Cb 0.42 -1.34 0.08 0.00 0.02 0.00 0.00 35.03 34.21 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 0.31 0.24 0.08 1.64 1.74 -1.26 -2.69 116.66 116.72 1wfy n ARG 39 Ca -0.01 -2.17 -0.04 0.00 -0.77 0.00 0.00 57.85 54.86 1wfy n ARG 39 Cb 0.68 -0.41 -0.07 0.00 -1.02 0.00 0.00 32.46 31.63 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 0.16 0.55 3.38 0.26 -2.12 115.31 117.54 1wfy h LEU 40 Ca -0.24 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.41 1wfy h LEU 40 Cb 0.94 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.70 1wfy h LEU 40 CO 0.28 0.81 -1.57 0.06 0.09 0.00 0.00 178.44 178.11 1wfy h GLN 41 N 0.00 0.35 0.00 1.13 3.07 -1.81 -2.26 115.11 115.58 1wfy h GLN 41 Ca -0.04 -0.60 -0.07 0.00 0.09 0.00 0.00 58.65 58.03 1wfy h GLN 41 Cb 1.66 0.22 -0.01 0.00 0.08 0.00 0.00 27.48 29.43 1wfy h GLN 41 CO 0.10 1.24 -0.34 0.93 0.09 0.00 0.00 178.83 180.86 1wfy h GLU 42 N 0.09 0.00 0.00 0.06 5.08 -1.87 0.49 114.58 118.44 1wfy h GLU 42 Ca -0.27 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 57.99 1wfy h GLU 42 Cb 2.07 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.30 1wfy h GLU 42 CO 0.19 0.34 -0.97 0.00 -1.00 0.00 0.00 179.01 177.57 1wfy h ALA 43 N 1.66 0.65 0.00 3.43 0.00 -1.45 -3.27 119.26 120.28 1wfy h ALA 43 Ca -0.00 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1wfy h ALA 43 Cb 0.95 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1wfy h ALA 43 CO 0.04 0.59 -1.10 1.28 0.00 0.00 0.00 179.25 180.06 1wfy n LEU 44 N -2.96 0.60 -0.02 0.00 7.99 -0.85 -4.24 117.00 117.52 1wfy n LEU 44 Ca -0.03 -0.06 -0.09 0.00 -0.01 0.00 0.00 56.01 55.82 1wfy n LEU 44 Cb 0.73 -0.08 -0.03 0.00 -0.11 0.00 0.00 43.42 43.93 1wfy n LEU 44 CO 0.41 0.06 0.81 1.56 -1.51 0.00 0.00 177.39 178.71 1wfy h GLN 45 N 0.00 -0.07 0.00 3.23 1.08 -0.07 1.60 115.11 120.89 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 0.73 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.18 1wfy h GLN 45 CO 0.00 -0.04 0.00 -0.35 -0.95 0.00 0.00 178.83 177.49 1wfy n PRO 46 N -5.23 0.51 -0.13 1.46 -0.04 -1.26 -1.43 135.00 128.87 1wfy n PRO 46 Ca -0.03 0.04 -0.26 0.00 -0.04 0.00 0.00 63.50 63.21 1wfy n PRO 46 Cb 0.15 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.01 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 1.50 -0.06 0.52 2.08 0.30 -3.66 119.36 118.87 1wfy n ILE 47 Ca 0.14 -0.44 -0.11 0.00 0.56 0.00 0.00 62.75 62.89 1wfy n ILE 47 Cb 0.14 -1.73 -0.05 0.00 -0.75 0.00 0.00 39.64 37.25 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 -0.67 0.32 -1.42 1.39 3.38 0.23 0.47 115.31 119.01 1wfy h LEU 48 Ca -0.66 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.02 1wfy h LEU 48 Cb 1.70 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 42.34 1wfy h LEU 48 CO -0.32 0.53 0.32 0.00 0.09 0.00 0.00 178.44 179.06 1wfy h ALA 49 N 0.80 1.56 0.00 1.53 0.00 -1.40 1.80 119.26 123.55 1wfy h ALA 49 Ca 0.06 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1wfy h ALA 49 Cb 0.36 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1wfy h ALA 49 CO 0.01 0.38 -0.06 -0.22 0.00 0.00 0.00 179.25 179.36 1wfy h LYS 50 N 0.73 0.00 -0.34 0.00 1.63 -1.54 -3.00 116.57 114.05 1wfy h LYS 50 Ca 0.19 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.99 1wfy h LYS 50 Cb -0.03 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.60 1wfy h LYS 50 CO -0.04 0.00 0.00 0.72 -3.45 0.00 0.00 179.45 176.68 1wfy n HIS 51 N -2.49 0.45 -1.08 1.91 8.25 0.16 -4.94 115.22 117.48 1wfy n HIS 51 Ca 0.05 -0.39 -0.03 0.00 -0.26 0.00 0.00 57.72 57.09 1wfy n HIS 51 Cb 0.46 -0.02 -0.01 0.00 1.12 0.00 0.00 29.99 31.54 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 0.74 0.32 0.00 -1.41 0.00 0.48 -4.95 105.19 100.37 1wfy n GLY 52 Ca 0.13 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.30 0.00 -3.87 0.99 4.77 0.50 -4.93 117.00 114.16 1wfy n LEU 53 Ca -0.03 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.86 1wfy n LEU 53 Cb 0.45 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.49 1wfy n LEU 53 CO 0.04 -0.44 0.19 -0.44 -1.33 0.00 0.00 177.39 175.41 1wfy s SER 54 N -1.00 -0.15 0.16 -1.43 0.01 -1.26 -4.15 113.70 105.88 1wfy s SER 54 Ca 0.00 -0.70 0.09 0.00 1.31 0.00 0.00 55.95 56.65 1wfy s SER 54 Cb 0.00 0.56 -0.14 0.00 0.21 0.00 0.00 66.02 66.65 1wfy s SER 54 CO 0.00 -1.06 1.32 -0.07 0.41 0.00 0.00 173.24 173.85 1wfy h LEU 55 N 2.28 0.00 -3.97 2.44 3.38 -1.95 -2.81 115.31 114.67 1wfy h LEU 55 Ca -0.28 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.18 1wfy h LEU 55 Cb 1.25 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 41.70 1wfy h LEU 55 CO 0.38 0.87 0.64 -0.67 0.09 0.00 0.00 178.44 179.75 1wfy n ASP 56 N -3.32 3.91 0.00 -0.43 2.03 -1.26 -4.28 116.55 113.20 1wfy n ASP 56 Ca 0.00 -3.63 0.00 0.00 0.52 0.00 0.00 54.79 51.69 1wfy n ASP 56 Cb 0.89 -0.84 0.00 0.00 -0.72 0.00 0.00 41.12 40.45 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 -3.63 -0.67 1.13 -1.19 -5.08 117.38 106.80 1wfy n GLN 57 Ca 0.59 0.00 -0.32 0.00 -1.94 0.00 0.00 57.00 55.33 1wfy n GLN 57 Cb 1.59 -0.35 -0.05 0.00 0.11 0.00 0.00 30.24 31.55 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 -1.83 5.13 -0.11 5.09 -7.23 -1.07 -3.83 120.40 116.56 1wfy s VAL 58 Ca 0.00 0.18 0.03 0.00 -1.81 0.00 0.00 61.98 60.37 1wfy s VAL 58 Cb 0.00 -3.62 -0.01 0.00 0.56 0.00 0.00 36.38 33.31 1wfy s VAL 58 CO 0.00 0.10 -0.20 -0.69 -0.31 0.00 0.00 175.10 174.00 1wfy s VAL 59 N -1.60 2.47 0.03 1.32 1.01 -1.09 -4.85 120.40 117.69 1wfy s VAL 59 Ca 0.39 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 61.51 1wfy s VAL 59 Cb -0.12 -1.98 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 1wfy s VAL 59 CO 0.22 0.55 0.04 -0.22 0.00 0.00 0.00 175.10 175.69 1wfy s LEU 60 N 0.26 3.69 -0.30 3.92 1.98 -1.26 -0.72 118.68 126.24 1wfy s LEU 60 Ca -0.14 0.02 -0.17 0.00 -2.89 0.00 0.00 54.13 50.96 1wfy s LEU 60 Cb -0.17 -2.22 0.18 0.00 0.66 0.00 0.00 46.19 44.65 1wfy s LEU 60 CO 0.07 0.24 1.15 -1.38 -1.89 0.00 0.00 176.35 174.54 1wfy s HIS 61 N -1.21 -0.34 0.99 5.38 -3.43 -0.70 -1.07 115.29 114.90 1wfy s HIS 61 Ca 0.23 0.50 -0.16 0.00 -0.80 0.00 0.00 55.06 54.84 1wfy s HIS 61 Cb -0.12 0.17 -0.05 0.00 -1.43 0.00 0.00 32.58 31.15 1wfy s HIS 61 CO 0.15 -0.18 -0.27 0.54 -2.00 0.00 0.00 174.74 172.98 1wfy n ARG 62 N 5.00 -0.23 -2.31 -0.38 1.74 -1.26 -2.99 116.66 116.22 1wfy n ARG 62 Ca -0.08 -0.05 -0.40 0.00 -0.77 0.00 0.00 57.85 56.55 1wfy n ARG 62 Cb 0.54 -1.42 -0.03 0.00 -1.02 0.00 0.00 32.46 30.53 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 -2.81 3.04 0.00 5.56 0.04 -1.26 -3.07 135.00 136.50 1wfy s PRO 63 Ca 0.48 0.32 0.00 0.00 0.04 0.00 0.00 61.00 61.84 1wfy s PRO 63 Cb -0.17 -4.23 0.00 0.00 0.04 0.00 0.00 34.50 30.13 1wfy s PRO 63 CO 0.74 -2.27 0.00 0.41 0.04 0.00 0.00 177.00 175.92 1wfy n GLY 64 N 5.45 3.81 3.41 0.56 0.00 -1.26 -5.09 105.19 112.08 1wfy n GLY 64 Ca 0.12 -0.86 -0.32 0.00 0.00 0.00 0.00 46.02 44.96 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 -1.02 0.00 1.61 -0.58 -1.17 -5.00 120.64 114.47 1wfy n GLU 65 Ca 0.00 -0.26 0.00 0.00 -0.42 0.00 0.00 57.16 56.48 1wfy n GLU 65 Cb 0.00 -1.92 0.00 0.00 -0.57 0.00 0.00 31.44 28.95 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 -2.58 0.00 -0.90 3.49 0.00 -1.26 -4.89 118.16 112.02 1wfy n LYS 66 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 58.31 58.05 1wfy n LYS 66 Cb 0.56 -0.40 0.14 0.00 0.00 0.00 0.00 35.03 35.34 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 -0.94 1.44 0.26 1.64 1.11 -1.26 -4.97 119.66 116.94 1wfy s GLN 67 Ca 0.00 1.40 -0.30 0.00 0.01 0.00 0.00 55.36 56.48 1wfy s GLN 67 Cb 0.00 -1.79 -0.09 0.00 -1.01 0.00 0.00 33.01 30.12 1wfy s GLN 67 CO 0.00 -2.29 1.08 -1.25 0.01 0.00 0.00 175.29 172.84 1wfy s PRO 68 N -4.74 4.65 1.17 2.91 0.04 -1.26 -4.82 135.00 132.95 1wfy s PRO 68 Ca 0.65 1.76 -0.15 0.00 0.04 0.00 0.00 61.00 63.30 1wfy s PRO 68 Cb -0.21 -3.21 0.28 0.00 0.04 0.00 0.00 34.50 31.40 1wfy s PRO 68 CO 0.57 0.22 1.04 -1.64 0.04 0.00 0.00 177.00 177.23 1wfy s MET 69 N -1.26 -0.95 -0.22 4.56 -1.94 -0.23 -4.97 119.30 114.28 1wfy s MET 69 Ca 0.45 0.50 -0.07 0.00 -1.71 0.00 0.00 55.69 54.87 1wfy s MET 69 Cb -0.31 -1.58 -0.03 0.00 2.01 0.00 0.00 34.83 34.92 1wfy s MET 69 CO 0.39 -3.66 0.05 -0.51 -0.01 0.00 0.00 175.02 171.28 1wfy s ASP 70 N -3.04 5.12 0.30 3.03 1.01 -1.26 -4.85 116.67 116.97 1wfy s ASP 70 Ca 0.68 -0.16 0.14 0.00 0.71 0.00 0.00 52.55 53.92 1wfy s ASP 70 Cb -0.20 -1.90 0.42 0.00 1.01 0.00 0.00 42.92 42.25 1wfy s ASP 70 CO 0.61 0.03 1.62 -0.07 0.21 0.00 0.00 175.17 177.56 1wfy h LEU 71 N 7.79 0.00 -1.83 1.23 3.38 -1.95 -2.89 115.31 121.03 1wfy h LEU 71 Ca -0.37 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.62 1wfy h LEU 71 Cb 1.18 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.92 1wfy h LEU 71 CO 0.60 0.54 0.41 1.05 0.09 0.00 0.00 178.44 181.13 1wfy h GLU 72 N 0.00 0.00 -7.06 1.13 4.11 -1.95 0.66 114.58 111.47 1wfy h GLU 72 Ca -0.01 0.00 -0.47 0.00 0.07 0.00 0.00 59.36 58.96 1wfy h GLU 72 Cb 1.10 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.36 1wfy h GLU 72 CO 0.07 0.00 0.38 -0.80 0.07 0.00 0.00 179.01 178.73 1wfy s ASN 73 N -4.43 6.50 0.23 3.06 0.01 -1.09 -4.69 114.94 114.52 1wfy s ASN 73 Ca -0.03 1.90 -0.30 0.00 -0.71 0.00 0.00 52.86 53.72 1wfy s ASN 73 Cb 0.09 -2.56 -0.09 0.00 0.41 0.00 0.00 41.25 39.10 1wfy s ASN 73 CO 0.29 -0.67 1.10 -2.16 -1.51 0.00 0.00 177.10 174.15 1wfy s PRO 74 N -3.13 4.63 0.66 -0.60 0.04 -1.26 -0.71 135.00 134.63 1wfy s PRO 74 Ca 0.65 1.76 0.36 0.00 0.04 0.00 0.00 61.00 63.81 1wfy s PRO 74 Cb -0.16 -3.23 1.94 0.00 0.04 0.00 0.00 34.50 33.09 1wfy s PRO 74 CO 0.20 0.16 2.10 -0.39 0.04 0.00 0.00 177.00 179.10 1wfy h VAL 75 N 3.39 0.02 -0.38 -0.36 -1.51 -1.38 0.12 116.25 116.14 1wfy h VAL 75 Ca -0.46 0.00 0.11 0.00 -1.23 0.00 0.00 66.70 65.13 1wfy h VAL 75 Cb 1.21 0.80 -0.02 0.00 -2.13 0.00 0.00 31.29 31.15 1wfy h VAL 75 CO 0.70 0.00 0.36 -1.28 -1.23 0.00 0.00 177.57 176.11 1wfy h SER 76 N 0.00 0.00 0.28 4.19 0.87 -1.80 0.15 113.55 117.24 1wfy h SER 76 Ca 0.00 0.00 -0.34 0.00 -1.23 0.00 0.00 61.79 60.23 1wfy h SER 76 Cb 0.42 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.40 1wfy h SER 76 CO -0.00 0.00 -1.56 -1.28 -0.53 0.00 0.00 176.83 173.46 1wfy h SER 77 N 0.00 0.72 -1.00 6.23 0.87 -1.09 -3.31 113.55 115.98 1wfy h SER 77 Ca 0.18 -0.87 -0.50 0.00 -1.23 0.00 0.00 61.79 59.37 1wfy h SER 77 Cb 0.90 -0.23 -0.19 0.00 -0.44 0.00 0.00 62.40 62.43 1wfy h SER 77 CO -0.00 1.70 0.54 1.33 -0.53 0.00 0.00 176.83 179.86 1wfy n VAL 78 N -3.65 3.23 -3.50 2.23 0.24 0.49 -4.63 118.33 112.74 1wfy n VAL 78 Ca -0.19 -2.75 -0.27 0.00 -2.04 0.00 0.00 64.34 59.09 1wfy n VAL 78 Cb 1.09 -1.43 -0.09 0.00 -1.47 0.00 0.00 33.84 31.94 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 0.35 3.76 0.00 2.33 0.00 -0.91 -4.57 120.51 121.47 1wfy n ALA 79 Ca 0.46 -4.56 0.00 0.00 0.00 0.00 0.00 53.44 49.34 1wfy n ALA 79 Cb 0.53 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 19.07 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 1.17 0.00 -4.92 0.00 2.88 -1.26 -4.96 113.62 106.53 1wfy n SER 80 Ca 0.27 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.55 1wfy n SER 80 Cb 0.41 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.90 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 0.00 2.85 -0.07 -1.46 -1.52 -1.26 -4.94 119.66 113.25 1wfy s GLN 81 Ca 0.00 -0.10 -0.15 0.00 -1.95 0.00 0.00 55.36 53.16 1wfy s GLN 81 Cb 0.00 -2.29 -0.05 0.00 -0.22 0.00 0.00 33.01 30.45 1wfy s GLN 81 CO 0.00 -0.72 0.40 0.99 -0.25 0.00 0.00 175.29 175.71 1wfy s THR 82 N -2.97 5.14 0.40 -0.19 2.01 -1.26 -4.40 115.64 114.37 1wfy s THR 82 Ca 0.54 0.80 0.04 0.00 0.31 0.00 0.00 61.69 63.38 1wfy s THR 82 Cb -0.10 -3.72 -0.00 0.00 0.01 0.00 0.00 72.50 68.68 1wfy s THR 82 CO 0.44 0.47 0.58 -0.76 -0.69 0.00 0.00 174.62 174.66 1wfy s LEU 83 N -0.27 3.78 -0.13 4.42 1.43 -0.65 -4.12 118.68 123.15 1wfy s LEU 83 Ca 0.23 0.01 0.01 0.00 -1.03 0.00 0.00 54.13 53.35 1wfy s LEU 83 Cb -0.15 -2.92 0.02 0.00 0.03 0.00 0.00 46.19 43.16 1wfy s LEU 83 CO 0.10 -0.61 -0.15 -0.69 0.23 0.00 0.00 176.35 175.24 1wfy s VAL 84 N -2.38 1.55 -0.12 -1.59 1.01 -1.16 0.16 120.40 117.86 1wfy s VAL 84 Ca 0.48 -0.65 -0.05 0.00 0.00 0.00 0.00 61.98 61.76 1wfy s VAL 84 Cb -0.10 -1.43 -0.04 0.00 0.00 0.00 0.00 36.38 34.82 1wfy s VAL 84 CO 0.34 0.45 0.06 -0.22 0.00 0.00 0.00 175.10 175.74 1wfy s LEU 85 N 1.18 3.91 -0.41 3.92 1.98 0.71 -1.73 118.68 128.23 1wfy s LEU 85 Ca -0.02 0.23 0.04 0.00 -2.89 0.00 0.00 54.13 51.49 1wfy s LEU 85 Cb -0.14 -1.94 0.11 0.00 0.66 0.00 0.00 46.19 44.88 1wfy s LEU 85 CO -0.05 0.33 0.15 -0.62 -1.89 0.00 0.00 176.35 174.27 1wfy s ASP 86 N -0.60 4.47 0.89 3.68 -1.08 0.10 -2.06 116.67 122.08 1wfy s ASP 86 Ca 0.11 -2.49 -0.11 0.00 -0.52 0.00 0.00 52.55 49.53 1wfy s ASP 86 Cb -0.12 -1.55 0.11 0.00 -1.46 0.00 0.00 42.92 39.91 1wfy s ASP 86 CO 0.02 -0.32 1.04 0.35 0.52 0.00 0.00 175.17 176.78 1wfy n THR 87 N 3.79 0.54 -1.53 1.71 -2.24 -1.26 -2.68 114.28 112.62 1wfy n THR 87 Ca 0.04 -0.09 -0.29 0.00 -2.27 0.00 0.00 64.05 61.44 1wfy n THR 87 Cb 0.38 -0.99 0.16 0.00 -2.10 0.00 0.00 70.33 67.78 1wfy n THR 87 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1wfy s PRO 88 N -4.32 0.66 -0.72 -0.78 0.04 -1.25 -4.88 135.00 123.76 1wfy s PRO 88 Ca 0.67 0.11 -0.06 0.00 0.04 0.00 0.00 61.00 61.76 1wfy s PRO 88 Cb -0.25 -1.80 -0.12 0.00 0.04 0.00 0.00 34.50 32.37 1wfy s PRO 88 CO 0.58 -2.49 2.63 -0.35 0.04 0.00 0.00 177.00 177.41 1wfy n PRO 89 N -3.93 2.25 -1.83 0.56 -0.04 -1.26 -4.71 135.00 126.04 1wfy n PRO 89 Ca 0.09 -1.35 -0.00 0.00 -0.04 0.00 0.00 63.50 62.20 1wfy n PRO 89 Cb 0.59 -2.30 0.00 0.00 -0.04 0.00 0.00 33.50 31.76 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 3.39 -0.13 -2.76 3.54 2.03 -1.26 -5.10 116.55 116.26 1wfy n ASP 90 Ca 0.48 -1.05 -0.03 0.00 0.52 0.00 0.00 54.79 54.71 1wfy n ASP 90 Cb 0.39 0.21 -0.03 0.00 -0.72 0.00 0.00 41.12 40.97 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 -2.81 -3.06 -2.71 -1.67 0.00 -1.26 -4.92 120.51 104.07 1wfy n ALA 91 Ca -0.01 1.44 -0.39 0.00 0.00 0.00 0.00 53.44 54.48 1wfy n ALA 91 Cb 0.05 -2.95 -0.06 0.00 0.00 0.00 0.00 19.45 16.50 1wfy n ALA 91 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1wfy s LYS 92 N -0.78 4.34 0.48 0.00 1.02 -1.26 -5.00 119.74 118.54 1wfy s LYS 92 Ca -0.16 0.57 0.08 0.00 0.02 0.00 0.00 55.97 56.48 1wfy s LYS 92 Cb 0.01 -3.46 0.03 0.00 -0.52 0.00 0.00 37.83 33.89 1wfy s LYS 92 CO 0.60 0.08 0.55 1.41 -0.92 0.00 0.00 175.35 177.07 1wfy s MET 93 N 0.84 2.53 -0.97 1.68 1.75 -1.26 -4.95 119.30 118.92 1wfy s MET 93 Ca 0.29 -1.53 -0.31 0.00 -1.25 0.00 0.00 55.69 52.88 1wfy s MET 93 Cb -0.16 -2.54 -0.22 0.00 2.84 0.00 0.00 34.83 34.76 1wfy s MET 93 CO 0.12 -0.45 2.67 0.43 -0.65 0.00 0.00 175.02 177.14 1wfy n SER 94 N -1.86 0.34 -3.62 1.11 7.64 -1.26 -4.75 113.62 111.22 1wfy n SER 94 Ca 0.08 0.19 -0.02 0.00 1.01 0.00 0.00 58.87 60.13 1wfy n SER 94 Cb 0.61 -0.93 -0.00 0.00 -1.01 0.00 0.00 64.21 62.88 1wfy n SER 94 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1wfy s GLU 95 N 8.86 1.00 1.13 1.43 2.12 -1.26 -5.10 118.70 126.87 1wfy s GLU 95 Ca 1.35 -0.59 -0.18 0.00 0.36 0.00 0.00 54.97 55.91 1wfy s GLU 95 Cb -1.25 0.32 0.26 0.00 0.26 0.00 0.00 34.13 33.71 1wfy s GLU 95 CO 0.49 -0.46 1.16 0.00 -0.54 0.00 0.00 175.26 175.92 1wfy s ALA 96 N -2.71 1.06 -0.16 6.30 0.00 -1.26 -5.09 121.76 119.91 1wfy s ALA 96 Ca 0.16 -0.98 -0.14 0.00 0.00 0.00 0.00 51.96 51.00 1wfy s ALA 96 Cb -0.00 -2.87 0.04 0.00 0.00 0.00 0.00 23.12 20.29 1wfy s ALA 96 CO 0.02 -3.24 0.42 1.03 0.00 0.00 0.00 175.76 173.99 1wfy s ARG 97 N -5.51 0.48 -0.28 0.00 0.52 -1.26 -5.07 118.95 107.83 1wfy s ARG 97 Ca 0.71 0.61 -0.36 0.00 -0.52 0.00 0.00 55.73 56.17 1wfy s ARG 97 Cb -0.09 0.21 0.16 0.00 0.52 0.00 0.00 34.95 35.76 1wfy s ARG 97 CO 0.55 -0.07 1.36 0.45 0.02 0.00 0.00 175.30 177.61 1wfy s SER 98 N 0.37 -0.03 -0.36 0.23 0.15 -1.26 -5.11 113.70 107.69 1wfy s SER 98 Ca -0.01 0.01 -0.40 0.00 0.70 0.00 0.00 55.95 56.25 1wfy s SER 98 Cb -0.04 0.03 -0.15 0.00 -1.71 0.00 0.00 66.02 64.15 1wfy s SER 98 CO -0.01 -0.04 1.97 -1.54 1.20 0.00 0.00 173.24 174.82 1wfy n SER 99 N 0.11 1.92 -4.36 5.45 3.41 -1.26 -4.93 113.62 113.96 1wfy n SER 99 Ca 0.04 0.77 -0.21 0.00 -0.26 0.00 0.00 58.87 59.21 1wfy n SER 99 Cb 0.57 -1.12 -0.11 0.00 -0.26 0.00 0.00 64.21 63.29 1wfy n SER 99 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1wfy s GLY 100 N 5.31 1.50 1.02 5.00 0.00 -1.26 -5.15 107.32 113.74 1wfy s GLY 100 Ca 1.07 -1.61 -0.17 0.00 0.00 0.00 0.00 44.72 44.00 1wfy s GLY 100 CO 0.61 -1.68 1.12 -1.55 0.00 0.00 0.00 173.10 171.60 1wfy n PRO 101 N -0.05 -2.08 -3.90 2.90 -0.04 -1.26 -5.10 135.00 125.46 1wfy n PRO 101 Ca -0.10 -1.76 -0.09 0.00 -0.04 0.00 0.00 63.50 61.51 1wfy n PRO 101 Cb 0.58 -1.39 -0.04 0.00 -0.04 0.00 0.00 33.50 32.61 1wfy n PRO 101 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1wfy s SER 102 N -4.87 -0.15 0.21 3.54 1.04 -1.26 -5.18 113.70 107.03 1wfy s SER 102 Ca 0.68 -0.75 0.08 0.00 0.48 0.00 0.00 55.95 56.44 1wfy s SER 102 Cb -0.04 0.59 -0.04 0.00 0.10 0.00 0.00 66.02 66.63 1wfy s SER 102 CO 0.50 -1.13 0.00 -0.94 0.98 0.00 0.00 173.24 172.65 1wfy s SER 103 N -2.96 4.68 0.00 7.02 1.04 -1.26 -5.38 113.70 116.85 1wfy s SER 103 Ca 0.16 -0.49 0.00 0.00 0.48 0.00 0.00 55.95 56.10 1wfy s SER 103 Cb -0.01 -0.95 0.00 0.00 0.10 0.00 0.00 66.02 65.16 1wfy s SER 103 CO 0.05 0.05 0.00 0.61 0.98 0.00 0.00 173.24 174.93